A0A077ZGU1_TRITR Loading...

E3 ubiquitin protein ligase TRIM9

AlphaFold DB , UniProt , Accession A0A077ZGU1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 709 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
1M75Confident85Confident156 Ų15688.5 Ų88.577%0.76843%0.429SS*.  0-47.80-169173.9-75.100112.2E3 E4 L5 F161M1-E3 VanDerWaalsContact C-N 3.29Å; M1-E3 PolarHBondContact O-N 2.9Å; M1-E4 WeakPolarHBondContact O-CB 3.45Å; M1-E4 PolarHBondContact O-N 3Å; M1-L5 HydrophobicContact CG-CD1 4.27Å; M1-L5 PolarHBondContact O-N 3.08Å; M1-F161 HydrophobicContact CB-CE2 4.3Å; M1-F161 HydrophobicContact CG-CD2 4.14Å; M1-F161 HydrophobicContact CG-CE2 3.92Å; M1-F161 HydrophobicContact SD-CD2 3.5Å; M1-F161 VanDerWaalsContact SD-CD2 3.5Å; M1-F161 HydrophobicContact SD-CE2 3.6Å; M1-F161 VanDerWaalsContact SD-CE2 3.6Å
2E77.2Confident85Confident97 Ų9787 Ų8745%0.45343%0.429SS..THydrogen-bonded Turntrans-55.9-39.8-179.8-72.5-170.4-17200114.1L5 R6 F161E2-L5 PolarHBondContact O-N 3.06Å; E2-R6 WeakPolarHBondContact O-CG 3.38Å; E2-R6 IonicContact OE2-NH2 2.75Å; E2-F161 HydrophobicContact CG-CE1 3.78Å; E2-F161 HydrophobicContact CG-CZ 3.53Å
3E80Confident85Confident166 Ų16685.3 Ų85.378%0.77642%0.418SS*.G310 helixtrans-62.9-40.9178.5-65.1-177.7164.700112.5M1 L5 R6M1-E3 VanDerWaalsContact C-N 3.29Å; M1-E3 PolarHBondContact O-N 2.9Å; E3-L5 PolarHBondContact O-N 3Å; E3-R6 PolarHBondContact O-N 3.3Å; E3-R6 VanDerWaalsContact O-N 3.14Å
4E84.7Confident85Confident154 Ų15480.7 Ų80.772%0.7240%0.395SS*.G310 helixtrans-64.4-21.3177-60.7-61.7154.900113.3M1M1-E4 WeakPolarHBondContact O-CB 3.45Å; M1-E4 PolarHBondContact O-N 3Å
5L87.5Confident84.9Confident7 Ų780.2 Ų80.24%0.03739%0.394CS..G310 helixtrans-94.81.7-179.8-61-178.5000113M1 E2 E3 F13 F14 L154 V157 I158 F161M1-L5 HydrophobicContact CG-CD1 4.27Å; M1-L5 PolarHBondContact O-N 3.08Å; E2-L5 PolarHBondContact O-N 3.06Å; E3-L5 PolarHBondContact O-N 3Å; L5-F13 HydrophobicContact CB-CD1 3.76Å; L5-F13 HydrophobicContact CB-CE1 3.82Å; L5-F13 HydrophobicContact CD1-CE1 4.37Å; L5-F13 WeakPolarHBondContact O-CA 3.21Å; L5-F14 VanDerWaalsContact O-CD2 3.23Å; L5-F14 WeakPolarHBondContact O-CD2 3.31Å; L5-F14 PolarHBondContact O-N 3.16Å; L5-L154 HydrophobicContact CD2-CD1 3.91Å; L5-V157 HydrophobicContact CD2-CG1 3.81Å; L5-I158 HydrophobicContact CB-CG1 4.21Å; L5-I158 HydrophobicContact CD2-CG1 4.01Å; L5-I158 HydrophobicContact CG-CG1 4.48Å; L5-F161 HydrophobicContact CD1-CB 3.68Å; L5-F161 HydrophobicContact CD1-CD1 3.6Å; L5-F161 HydrophobicContact CD1-CD2 3.86Å; L5-F161 HydrophobicContact CD1-CE1 4.21Å; L5-F161 HydrophobicContact CD1-CE2 4.43Å; L5-F161 HydrophobicContact CD1-CG 3.41Å; L5-F161 VanDerWaalsContact CD1-CG 3.41Å
6R87.4Confident84.8Confident105 Ų10580.4 Ų80.440%0.39640%0.397SS..BIsolated β-bridgetrans-103142.4-179.7-70.3170.5-176-129.212.8111.5E2 E3 K11 V12 F14E2-R6 WeakPolarHBondContact O-CG 3.38Å; E2-R6 IonicContact OE2-NH2 2.75Å; E3-R6 PolarHBondContact O-N 3.3Å; E3-R6 VanDerWaalsContact O-N 3.14Å; R6-K11 WeakPolarHBondContact CD-O 3.35Å; R6-K11 PolarHBondContact NH1-O 3.05Å; R6-V12 CarbonylContact C-O 3.56Å; R6-V12 VanDerWaalsContact CA-O 3.27Å; R6-V12 WeakPolarHBondContact CA-O 3.35Å; R6-F14 VanDerWaalsContact C-CE2 3.42Å; R6-F14 VanDerWaalsContact O-CE2 3.25Å; R6-F14 WeakPolarHBondContact O-CE2 3.48Å; R6-F14 WeakPolarHBondContact O-CZ 3.32Å
7C88.2Confident85.1Confident1 Ų175.9 Ų75.91%0.00738%0.375CS..  trans-67.9131.91741790000110.3V9 C10 K11 V12 F14 C27C7-V9 PolarHBondContact O-N 2.75Å; C7-V9 VanDerWaalsContact O-N 3.09Å; C7-C10 WeakPolarHBondContact CB-SG 3.49Å; C7-C10 VanDerWaalsContact SG-SG 3.7Å; C7-K11 WeakPolarHBondContact O-CA 3.33Å; C7-K11 PolarHBondContact O-N 2.65Å; C7-V12 PolarHBondContact N-O 3.06Å; C7-F14 HydrophobicContact CB-CD1 3.83Å; C7-F14 HydrophobicContact CB-CE1 3.76Å; C7-F14 HydrophobicContact CB-CG 4.43Å; C7-F14 HydrophobicContact CB-CZ 4.32Å; C7-C27 VanDerWaalsContact CB-SG 3.55Å
8P91Very high85.4Confident41 Ų4171.7 Ų71.727%0.26635%0.354SS..THydrogen-bonded Turntrans-64.2-17.7-179.225-34.7000113.4K11 L26 P132P8-K11 WeakPolarHBondContact O-CE 3.23Å; P8-K11 PolarHBondContact O-NZ 3.12Å; P8-L26 HydrophobicContact CG-CD2 3.62Å; P8-P132 HydrophobicContact CB-CG 4.31Å; P8-P132 HydrophobicContact CG-CG 3.89Å
9V89.3Confident85.7Confident61 Ų6170.3 Ų70.337%0.3735%0.348SS..THydrogen-bonded Turntrans-91-65.1-178.9-177.50000111.4C7 L26 C30 L34 P132C7-V9 PolarHBondContact O-N 2.75Å; C7-V9 VanDerWaalsContact O-N 3.09Å; V9-L26 HydrophobicContact CG2-CD2 3.7Å; V9-C30 HydrophobicContact CB-CB 3.91Å; V9-C30 HydrophobicContact CG1-CB 4.05Å; V9-C30 HydrophobicContact CG2-CB 4.16Å; V9-L34 HydrophobicContact CG2-CD1 3.58Å; V9-P132 HydrophobicContact CG2-CG 3.81Å
10C86.9Confident85.9Confident52 Ų5267.1 Ų67.135%0.35133%0.332SS..THydrogen-bonded Turntrans-86.4-5.8-176.358.30000114.3C7 V12 C30C7-C10 WeakPolarHBondContact CB-SG 3.49Å; C7-C10 VanDerWaalsContact SG-SG 3.7Å; C10-V12 HydrophobicContact CB-CG2 4.11Å; C10-V12 PolarHBondContact O-N 3.08Å; C10-V12 WeakPolarHBondContact SG-CG2 3.5Å; C10-C30 PolarHBondContact SG-SG 3.32Å
11K87.8Confident85.9Confident133 Ų13366.8 Ų66.858%0.57834%0.335SS*.  trans58.29.1177.5-52.1-57.1-168.3-172.70116R6 C7 P8R6-K11 WeakPolarHBondContact CD-O 3.35Å; R6-K11 PolarHBondContact NH1-O 3.05Å; C7-K11 WeakPolarHBondContact O-CA 3.33Å; C7-K11 PolarHBondContact O-N 2.65Å; P8-K11 WeakPolarHBondContact O-CE 3.23Å; P8-K11 PolarHBondContact O-NZ 3.12Å
12V85.4Confident86.6Confident71 Ų7160.4 Ų60.443%0.4331%0.306SS..SBendtrans-95.4165.7170.7-61.80000110.8R6 C7 C10 F14 I15R6-V12 CarbonylContact C-O 3.56Å; R6-V12 VanDerWaalsContact CA-O 3.27Å; R6-V12 WeakPolarHBondContact CA-O 3.35Å; C7-V12 PolarHBondContact N-O 3.06Å; C10-V12 HydrophobicContact CB-CG2 4.11Å; C10-V12 PolarHBondContact O-N 3.08Å; C10-V12 WeakPolarHBondContact SG-CG2 3.5Å; V12-F14 PolarHBondContact O-N 3.32Å; V12-I15 HydrophobicContact CG2-CD1 4.04Å
13F85Confident87.1Confident65 Ų6559.5 Ų59.529%0.28531%0.31SS..BIsolated β-bridgetrans-52.6140.3170.6-71.3-69.1000110.7L5 I15 I158 F161L5-F13 HydrophobicContact CB-CD1 3.76Å; L5-F13 HydrophobicContact CB-CE1 3.82Å; L5-F13 HydrophobicContact CD1-CE1 4.37Å; L5-F13 WeakPolarHBondContact O-CA 3.21Å; F13-I15 PolarHBondContact O-N 2.74Å; F13-I158 HydrophobicContact CB-CG2 4.19Å; F13-I158 HydrophobicContact CD1-CG2 4.35Å; F13-I158 HydrophobicContact CG-CG2 4.45Å; F13-F161 HydrophobicContact CE1-CD1 4.25Å; F13-F161 HydrophobicContact CE1-CE1 4.28Å; F13-F161 HydrophobicContact CZ-CD1 4.43Å; F13-F161 HydrophobicContact CZ-CE1 4.22Å
14F84.5Confident87.6Confident21 Ų2155.3 Ų55.39%0.09229%0.29CS..PPolyproline II helixtrans-57.5129.2-176.6-71.5-87.5000112.4L5 R6 C7 V12 P17 S25 L154 I158L5-F14 VanDerWaalsContact O-CD2 3.23Å; L5-F14 WeakPolarHBondContact O-CD2 3.31Å; L5-F14 PolarHBondContact O-N 3.16Å; R6-F14 VanDerWaalsContact C-CE2 3.42Å; R6-F14 VanDerWaalsContact O-CE2 3.25Å; R6-F14 WeakPolarHBondContact O-CE2 3.48Å; R6-F14 WeakPolarHBondContact O-CZ 3.32Å; C7-F14 HydrophobicContact CB-CD1 3.83Å; C7-F14 HydrophobicContact CB-CE1 3.76Å; C7-F14 HydrophobicContact CB-CG 4.43Å; C7-F14 HydrophobicContact CB-CZ 4.32Å; V12-F14 PolarHBondContact O-N 3.32Å; F14-P17 HydrophobicContact CB-CB 3.92Å; F14-P17 HydrophobicContact CB-CG 4.2Å; F14-P17 HydrophobicContact CD1-CB 4.09Å; F14-P17 HydrophobicContact CG-CB 4.21Å; F14-S25 VanDerWaalsContact CE1-C 3.48Å; F14-S25 WeakPolarHBondContact CE1-O 3.4Å; F14-L154 HydrophobicContact CB-CD2 4.38Å; F14-L154 HydrophobicContact CD1-CD2 4.37Å; F14-L154 HydrophobicContact CD2-CD1 4.42Å; F14-L154 HydrophobicContact CD2-CD2 3.59Å; F14-L154 HydrophobicContact CD2-CG 4.21Å; F14-L154 HydrophobicContact CE2-CD2 3.84Å; F14-L154 HydrophobicContact CG-CD2 3.87Å; F14-L154 HydrophobicContact CZ-CD2 4.33Å; F14-I158 HydrophobicContact CB-CD1 3.58Å; F14-I158 HydrophobicContact CD2-CD1 4.13Å; F14-I158 HydrophobicContact CG-CD1 4.35Å
15I83.9Confident88Confident73 Ų7348.7 Ų48.737%0.37426%0.261SS..SBendtrans-112.3119.7174.9-62.5145.8000107.3V12 F13 C27 P228V12-I15 HydrophobicContact CG2-CD1 4.04Å; F13-I15 PolarHBondContact O-N 2.74Å; I15-C27 PolarHBondContact N-SG 3.26Å; I15-C27 WeakPolarHBondContact O-CA 3.3Å; I15-C27 WeakPolarHBondContact O-CB 3.43Å; I15-P228 HydrophobicContact CD1-CG 3.51Å; I15-P228 HydrophobicContact CG1-CG 4.44Å
16N83.3Confident88.3Confident83 Ų8348.4 Ų48.444%0.44426%0.26SS..SBendtrans45.562.6-174.3-166.412.7000112.4L28N16-L28 HydrophobicContact CB-CB 4.36Å; N16-L28 WeakPolarHBondContact ND2-CD2 3.48Å; N16-L28 WeakPolarHBondContact O-CB 3.48Å; N16-L28 PolarHBondContact O-N 3.35Å
17P89.1Confident88.4Confident4 Ų443.4 Ų43.43%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-64.5137.7-174.524.7-33000111.9F14 L26 R150 N151 L154 A155F14-P17 HydrophobicContact CB-CB 3.92Å; F14-P17 HydrophobicContact CB-CG 4.2Å; F14-P17 HydrophobicContact CD1-CB 4.09Å; F14-P17 HydrophobicContact CG-CB 4.21Å; P17-L26 CarbonylContact C-O 3.51Å; P17-L26 VanDerWaalsContact CA-O 3.27Å; P17-L26 WeakPolarHBondContact CA-O 3.41Å; P17-R150 CarbonylContact O-C 3.44Å; P17-R150 WeakPolarHBondContact O-CA 3.34Å; P17-N151 HydrophobicContact CB-CB 3.96Å; P17-N151 HydrophobicContact CG-CB 3.99Å; P17-N151 WeakPolarHBondContact CG-O 3.31Å; P17-N151 PolarHBondContact O-N 3.4Å; P17-L154 HydrophobicContact CB-CD2 3.97Å; P17-L154 HydrophobicContact CG-CB 4.37Å; P17-L154 HydrophobicContact CG-CD2 4.3Å; P17-L154 HydrophobicContact CG-CG 4.42Å; P17-A155 HydrophobicContact CG-CB 4.23Å
18V90.4Very high88.5Confident0 Ų044.8 Ų44.80%025%0.248CC..EExtended strand (participates in β ladder)trans-110.6143.1171.2-67.60000110.5S25 L26 L28 A31 L148 P149V18-S25 VanDerWaalsContact O-CA 3.27Å; V18-S25 WeakPolarHBondContact O-CA 3.3Å; V18-L26 HydrophobicContact CG2-CB 4.45Å; V18-L26 WeakPolarHBondContact CG2-O 3.39Å; V18-L26 PolarHBondContact N-O 3.24Å; V18-L26 PolarHBondContact O-N 2.67Å; V18-L26 VanDerWaalsContact O-N 3.14Å; V18-L28 HydrophobicContact CG1-CB 4.12Å; V18-L28 HydrophobicContact CG1-CD1 3.87Å; V18-A31 HydrophobicContact CG2-CB 3.73Å; V18-L148 HydrophobicContact CB-CB 3.85Å; V18-L148 HydrophobicContact CB-CD1 4.3Å; V18-L148 HydrophobicContact CG1-CB 4.23Å; V18-L148 HydrophobicContact CG2-CB 4.47Å; V18-L148 HydrophobicContact CG2-CD1 4.03Å; V18-P149 CarbonylContact C-O 3.57Å; V18-P149 WeakPolarHBondContact CA-O 3.49Å
19L91.2Very high88.3Confident45 Ų4546.6 Ų46.624%0.23626%0.261CS..EExtended strand (participates in β ladder)trans-87.1125.4175.1-76168.2000110.1P149 N151L19-P149 PolarHBondContact N-O 2.94Å; L19-N151 HydrophobicContact CD1-CB 4.4Å; L19-N151 HydrophobicContact CD2-CB 4.19Å; L19-N151 WeakPolarHBondContact CD2-ND2 3.49Å; L19-N151 HydrophobicContact CG-CB 3.87Å
20L90.3Very high88.4Confident7 Ų744.3 Ų44.34%0.03725%0.248CC..  trans-82.4162.2170.4-72.779.8000110.3C22 S23 H24 L26 L129 C131L20-C22 PolarHBondContact O-N 3.23Å; L20-C22 VanDerWaalsContact O-N 3.14Å; L20-S23 WeakPolarHBondContact O-CA 3.33Å; L20-S23 PolarHBondContact O-N 3.41Å; L20-H24 VanDerWaalsContact CD1-O 3.27Å; L20-H24 WeakPolarHBondContact CD1-O 3.43Å; L20-H24 PolarHBondContact N-O 3.03Å; L20-L26 HydrophobicContact CD1-CB 4.03Å; L20-L26 HydrophobicContact CD1-CD1 3.96Å; L20-L26 HydrophobicContact CD1-CG 3.7Å; L20-L26 HydrophobicContact CD2-CD1 4.2Å; L20-L129 HydrophobicContact CD2-CD2 3.31Å; L20-L129 HydrophobicContact CG-CD2 4.13Å; L20-C131 HydrophobicContact CD2-CB 3.62Å
21P85.9Confident88.5Confident60 Ų6041.8 Ų41.839%0.3923%0.231SC..THydrogen-bonded Turntrans-59.7-24.5175.4-24.434.4000114.2S23 F138P21-S23 PolarHBondContact O-N 3.47Å; P21-F138 HydrophobicContact CB-CD1 3.61Å; P21-F138 HydrophobicContact CB-CE1 3.71Å; P21-F138 HydrophobicContact CB-CG 4.12Å; P21-F138 HydrophobicContact CB-CZ 4.3Å; P21-F138 HydrophobicContact CG-CB 4.09Å; P21-F138 HydrophobicContact CG-CD1 3.7Å; P21-F138 HydrophobicContact CG-CD2 4.36Å; P21-F138 HydrophobicContact CG-CE1 4.28Å; P21-F138 HydrophobicContact CG-CG 3.76Å
22C88.9Confident88.6Confident23 Ų2338.2 Ų38.216%0.15522%0.218CC..THydrogen-bonded Turntrans-78.57.7170.955.20000114.6L20 H24 C134 F138L20-C22 PolarHBondContact O-N 3.23Å; L20-C22 VanDerWaalsContact O-N 3.14Å; C22-H24 PolarHBondContact O-N 3.19Å; C22-H24 VanDerWaalsContact O-N 3.14Å; C22-C134 VanDerWaalsContact SG-SG 3.69Å; C22-F138 HydrophobicContact CB-CE2 3.94Å; C22-F138 HydrophobicContact CB-CZ 3.61Å
23S87.7Confident88.7Confident78 Ų7837.9 Ų37.955%0.54523%0.229SC..SBendtrans67.4-4.7-176.175.50000117.1L20 P21L20-S23 WeakPolarHBondContact O-CA 3.33Å; L20-S23 PolarHBondContact O-N 3.41Å; P21-S23 PolarHBondContact O-N 3.47Å
24H92.2Very high88.9Confident77 Ų7738.1 Ų38.136%0.35623%0.233SC..  trans-68.3156.4167.7-67.3111.8000111.7L20 C22 A133L20-H24 VanDerWaalsContact CD1-O 3.27Å; L20-H24 WeakPolarHBondContact CD1-O 3.43Å; L20-H24 PolarHBondContact N-O 3.03Å; C22-H24 PolarHBondContact O-N 3.19Å; C22-H24 VanDerWaalsContact O-N 3.14Å; H24-A133 HydrophobicContact CB-CB 4.27Å
25S92.4Very high89.1Confident15 Ų1538.7 Ų38.711%0.10524%0.236CC..EExtended strand (participates in β ladder)trans-110148.2177.5-620000111.9F14 V18 N151F14-S25 VanDerWaalsContact CE1-C 3.48Å; F14-S25 WeakPolarHBondContact CE1-O 3.4Å; V18-S25 VanDerWaalsContact O-CA 3.27Å; V18-S25 WeakPolarHBondContact O-CA 3.3Å; S25-N151 PolarHBondContact OG-ND2 3.17Å
26L93Very high89.2Confident1 Ų138.7 Ų38.71%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-131.7153.8167.6-70.6-179.7000109.1P8 V9 P17 V18 L20 A31 L34 L129 P132P8-L26 HydrophobicContact CG-CD2 3.62Å; V9-L26 HydrophobicContact CG2-CD2 3.7Å; P17-L26 CarbonylContact C-O 3.51Å; P17-L26 VanDerWaalsContact CA-O 3.27Å; P17-L26 WeakPolarHBondContact CA-O 3.41Å; V18-L26 HydrophobicContact CG2-CB 4.45Å; V18-L26 WeakPolarHBondContact CG2-O 3.39Å; V18-L26 PolarHBondContact N-O 3.24Å; V18-L26 PolarHBondContact O-N 2.67Å; V18-L26 VanDerWaalsContact O-N 3.14Å; L20-L26 HydrophobicContact CD1-CB 4.03Å; L20-L26 HydrophobicContact CD1-CD1 3.96Å; L20-L26 HydrophobicContact CD1-CG 3.7Å; L20-L26 HydrophobicContact CD2-CD1 4.2Å; L26-A31 HydrophobicContact CB-CB 4.19Å; L26-A31 HydrophobicContact CD1-CB 4.32Å; L26-L34 HydrophobicContact CD1-CD1 4Å; L26-L129 HydrophobicContact CD1-CD2 4.26Å; L26-P132 HydrophobicContact CD2-CG 3.79Å
27C90.8Very high88.8Confident0 Ų040 Ų400%024%0.243CC..EExtended strand (participates in β ladder)trans-59.7142.6162.8-600000108.8C7 I15 S29 C30 A31C7-C27 VanDerWaalsContact CB-SG 3.55Å; I15-C27 PolarHBondContact N-SG 3.26Å; I15-C27 WeakPolarHBondContact O-CA 3.3Å; I15-C27 WeakPolarHBondContact O-CB 3.43Å; C27-S29 PolarHBondContact O-N 2.86Å; C27-C30 HydrophobicContact CB-CB 4.13Å; C27-C30 WeakPolarHBondContact O-CA 3.43Å; C27-C30 WeakPolarHBondContact O-CB 3.34Å; C27-C30 PolarHBondContact O-N 3.46Å; C27-A31 PolarHBondContact O-N 3.47Å
28L89.5Confident87.4Confident30 Ų3044.9 Ų44.916%0.15726%0.264CS..Hα-helixtrans-52.9-41.9176.6176.362.4000111.7N16 V18 C30 A31 L32N16-L28 HydrophobicContact CB-CB 4.36Å; N16-L28 WeakPolarHBondContact ND2-CD2 3.48Å; N16-L28 WeakPolarHBondContact O-CB 3.48Å; N16-L28 PolarHBondContact O-N 3.35Å; V18-L28 HydrophobicContact CG1-CB 4.12Å; V18-L28 HydrophobicContact CG1-CD1 3.87Å; L28-C30 PolarHBondContact O-N 3.26Å; L28-A31 PolarHBondContact O-N 3.03Å; L28-L32 HydrophobicContact CD1-CD1 4.09Å; L28-L32 HydrophobicContact CD1-CG 4.12Å; L28-L32 HydrophobicContact CG-CD1 3.93Å; L28-L32 HydrophobicContact CG-CG 4.39Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 VanDerWaalsContact O-CG 3.27Å; L28-L32 WeakPolarHBondContact O-CG 3.36Å; L28-L32 PolarHBondContact O-N 3.31Å
29S86.6Confident85.1Confident79 Ų7947.3 Ų47.355%0.55229%0.288SS*.Hα-helixtrans-62-40.8176.153.30000113C27 L32 G33C27-S29 PolarHBondContact O-N 2.86Å; S29-L32 PolarHBondContact O-N 3.49Å; S29-G33 PolarHBondContact O-N 3.25Å
30C90.6Very high82.5Confident13 Ų1349.5 Ų49.59%0.08829%0.294CS..Hα-helixtrans-67.9-39175.4-64.30000111.7V9 C10 C27 L28 G33 L34V9-C30 HydrophobicContact CB-CB 3.91Å; V9-C30 HydrophobicContact CG1-CB 4.05Å; V9-C30 HydrophobicContact CG2-CB 4.16Å; C10-C30 PolarHBondContact SG-SG 3.32Å; C27-C30 HydrophobicContact CB-CB 4.13Å; C27-C30 WeakPolarHBondContact O-CA 3.43Å; C27-C30 WeakPolarHBondContact O-CB 3.34Å; C27-C30 PolarHBondContact O-N 3.46Å; L28-C30 PolarHBondContact O-N 3.26Å; C30-G33 PolarHBondContact O-N 2.85Å; C30-L34 WeakPolarHBondContact O-CB 3.42Å; C30-L34 VanDerWaalsContact O-CG 3.3Å; C30-L34 WeakPolarHBondContact O-CG 3.46Å; C30-L34 PolarHBondContact O-N 3.02Å
31A89.7Confident79.8Confident0 Ų056.6 Ų56.60%033%0.332CS..Hα-helixtrans-66-42.7176.300000111.4V18 L26 C27 L28 G33 L34 Q35 L129 A145V18-A31 HydrophobicContact CG2-CB 3.73Å; L26-A31 HydrophobicContact CB-CB 4.19Å; L26-A31 HydrophobicContact CD1-CB 4.32Å; C27-A31 PolarHBondContact O-N 3.47Å; L28-A31 PolarHBondContact O-N 3.03Å; A31-G33 VanDerWaalsContact C-N 3.31Å; A31-G33 PolarHBondContact O-N 3.23Å; A31-L34 PolarHBondContact O-N 3.39Å; A31-Q35 PolarHBondContact O-N 3.45Å; A31-L129 HydrophobicContact CB-CD1 3.82Å; A31-L129 WeakPolarHBondContact O-CD1 3.46Å; A31-A145 HydrophobicContact CB-CB 3.63Å
32L89.9Confident77.1Confident57 Ų5761.8 Ų61.830%0.29836%0.357SS..Hα-helixtrans-65.4-31.3173.3-70.3171000113.1L28 S29 Q35 A145 Q146L28-L32 HydrophobicContact CD1-CD1 4.09Å; L28-L32 HydrophobicContact CD1-CG 4.12Å; L28-L32 HydrophobicContact CG-CD1 3.93Å; L28-L32 HydrophobicContact CG-CG 4.39Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 VanDerWaalsContact O-CG 3.27Å; L28-L32 WeakPolarHBondContact O-CG 3.36Å; L28-L32 PolarHBondContact O-N 3.31Å; S29-L32 PolarHBondContact O-N 3.49Å; L32-Q35 WeakPolarHBondContact O-CG 3.44Å; L32-A145 HydrophobicContact CD2-CB 4.04Å; L32-A145 HydrophobicContact CG-CB 4.33Å; L32-Q146 HydrophobicContact CD2-CG 3.74Å
33G87.6Confident74.3Confident65 Ų6565.3 Ų65.367%0.6739%0.387SS*.Hα-helixtrans-77-27.6175.500000113.8S29 C30 A31S29-G33 PolarHBondContact O-N 3.25Å; C30-G33 PolarHBondContact O-N 2.85Å; A31-G33 VanDerWaalsContact C-N 3.31Å; A31-G33 PolarHBondContact O-N 3.23Å
34L89.2Confident71.7Confident69 Ų6969.6 Ų69.636%0.36140%0.399SS..Hα-helixtrans-91.5-18.5179.6-73178.9000113.8V9 L26 C30 A31 P132V9-L34 HydrophobicContact CG2-CD1 3.58Å; L26-L34 HydrophobicContact CD1-CD1 4Å; C30-L34 WeakPolarHBondContact O-CB 3.42Å; C30-L34 VanDerWaalsContact O-CG 3.3Å; C30-L34 WeakPolarHBondContact O-CG 3.46Å; C30-L34 PolarHBondContact O-N 3.02Å; A31-L34 PolarHBondContact O-N 3.39Å; L34-P132 HydrophobicContact CD1-CG 4.34Å
35Q89.4Confident68.9Low34 Ų3470.8 Ų70.816%0.15941%0.407CS..  trans-70.2140.6177.874.8-176.915.300110.7A31 L32 Y127 L128 L129 A145A31-Q35 PolarHBondContact O-N 3.45Å; L32-Q35 WeakPolarHBondContact O-CG 3.44Å; Q35-Y127 HydrophobicContact CB-CD1 4.25Å; Q35-Y127 VanDerWaalsContact CD-CD1 3.49Å; Q35-Y127 HydrophobicContact CG-CD1 3.72Å; Q35-Y127 HydrophobicContact CG-CE1 4.31Å; Q35-Y127 HydrophobicContact CG-CG 4.42Å; Q35-L128 CarbonylContact C-O 3.58Å; Q35-L128 VanDerWaalsContact CA-O 3.23Å; Q35-L128 WeakPolarHBondContact CA-O 3.34Å; Q35-L129 HydrophobicContact CB-CD1 4.43Å; Q35-A145 VanDerWaalsContact OE1-CB 3.27Å
36T84.8Confident65.9Low72 Ų7277.8 Ų77.844%0.44244%0.442SS..EExtended strand (participates in β ladder)trans-116.3135.1175.655.50000109.9Y127 L128T36-Y127 WeakPolarHBondContact O-CA 3.47Å; T36-L128 PolarHBondContact N-O 2.94Å; T36-L128 PolarHBondContact O-N 3.39Å
37H76.2Confident62.9Low112 Ų11285.2 Ų85.252%0.51948%0.481SS..EExtended strand (participates in β ladder)trans-87.7116.1173.3-172-86000108.3Y127H37-Y127 HydrophobicContact CB-CD1 4.24Å; H37-Y127 HydrophobicContact CB-CE1 3.98Å; H37-Y127 AromaticContact CD2-CE1 3.92Å; H37-Y127 AromaticContact CD2-CZ 3.84Å
38K58.7Low59.9Low106 Ų10693.4 Ų93.446%0.46153%0.525SS..  trans-126.8115.9173-79-170175.6-176.10109.3L128K38-L128 HydrophobicContact CD-CD1 4.37Å
39G41.5Very low57.2Low50 Ų5097.6 Ų97.652%0.51555%0.551SS.*  trans-74.3123.2160.500000108.3
40Y38.4Very low54.5Low91 Ų9199.6 Ų99.636%0.35756%0.562SS.*  trans-85.1114.4-179.6-90.9-92000110.8I45 L128Y40-I45 HydrophobicContact CE1-CB 4.24Å; Y40-I45 HydrophobicContact CE1-CD1 3.65Å; Y40-I45 WeakPolarHBondContact OH-CD1 3.39Å; Y40-L128 HydrophobicContact CE2-CD1 4.24Å
41N32.6Very low51.5Low157 Ų157104 Ų10484%0.8460%0.6SS**  trans-97.1127.3151.1-71.8-27.2000107.1A43N41-A43 PolarHBondContact O-N 2.94Å
42N28.6Very low48.6Very low169 Ų169107.1 Ų107.190%0.90463%0.632SS**SBendtrans-49.3116.9179.1-77.8-46000112
43A31.9Very low45.6Very low96 Ų96110.2 Ų110.279%0.79365%0.653SS**SBendtrans171.6-11.6149.900000115.5N41N41-A43 PolarHBondContact O-N 2.94Å
44Q33Very low42.7Very low169 Ų169114 Ų11479%0.7966%0.662SS**  trans-146.3110.1-176.2-73.1171.7-800109.4
45I31.6Very low39.9Very low102 Ų102115.3 Ų115.352%0.52368%0.677SS.*  trans16576.6150.3-77.9148.3000107.3Y40Y40-I45 HydrophobicContact CE1-CB 4.24Å; Y40-I45 HydrophobicContact CE1-CD1 3.65Å; Y40-I45 WeakPolarHBondContact OH-CD1 3.39Å
46L30.7Very low36.9Very low161 Ų161119.2 Ų119.284%0.84370%0.704SS**SBendtrans-136.9136.5137.9-72.2176.4000102.9
47L30.1Very low34.5Very low158 Ų158121.7 Ų121.783%0.82772%0.721SS**  trans8483.5-174.3-45.7166.9000115
48N28.1Very low32.4Very low172 Ų172123.5 Ų123.592%0.9273%0.734SS**  trans-130.770.7148.3-11840.8000107.6
49V31.1Very low31.1Very low118 Ų118126.6 Ų126.672%0.71576%0.756SS**  trans-76.8131160179.40000106A51V49-A51 PolarHBondContact O-N 3.47Å
50P30.2Very low30.6Very low120 Ų120127.6 Ų127.678%0.77977%0.767SS**  trans-64.3110.7170.1-8.823.5000108G52P50-G52 VanDerWaalsContact C-N 3.3Å; P50-G52 PolarHBondContact O-N 3.4Å
51A27.8Very low30.2Very low106 Ų106128.4 Ų128.488%0.87679%0.786SS**  trans-65.994.2162.800000107.6V49V49-A51 PolarHBondContact O-N 3.47Å
52G28.4Very low30.3Very low65 Ų65128.2 Ų128.267%0.6778%0.783SS**  trans-99.188.7178.700000111.6P50P50-G52 VanDerWaalsContact C-N 3.3Å; P50-G52 PolarHBondContact O-N 3.4Å
53V27.8Very low30.4Very low123 Ų123124.6 Ų124.675%0.74577%0.771SS**  trans49.391142.6-1580000117.6
54V26.5Very low30.5Very low144 Ų144126 Ų12687%0.87378%0.775SS**  trans-113.487143.1-177.70000106.2
55S30.6Very low30.6Very low96 Ų96121.8 Ų121.867%0.67178%0.776SS**  trans-98.9107.7164.1-62.20000106.8
56T26.9Very low30.7Very low116 Ų116124.4 Ų124.471%0.71279%0.792SS**PPolyproline II helixtrans-53131.4161.544.40000110
57P34.2Very low31.1Very low125 Ų125123.7 Ų123.781%0.81279%0.794SS**PPolyproline II helixtrans-93.3119159.822.7-8.4000109.4
58D31.7Very low31.1Very low149 Ų149119.9 Ų119.980%0.79779%0.793SS**PPolyproline II helixtrans-57.5146.6164.9-82.8-45.2000112.3
59N31.4Very low31.5Very low171 Ų171117.4 Ų117.491%0.91479%0.789SS**  trans-2.4124.5155.8-79.6-24.5000118.5
60G31.5Very low31.7Very low72 Ų72117.1 Ų117.174%0.74279%0.788SS**  trans-164.892161.100000111.1
61S29.4Very low32Very low108 Ų108119.8 Ų119.876%0.75579%0.787SS**  trans-45.4150.3156.838.50000110.3
62I33.9Very low32.3Very low153 Ų153120.9 Ų120.979%0.78578%0.783SS**  176.5122.297.1-73.4145.7000108
63S32.3Very low32.4Very low92 Ų92121 Ų12164%0.64379%0.785SS**  trans47.4122.6145.371.20000124.1
64S32.5Very low33Very low127 Ų127121.3 Ų121.389%0.88879%0.792SS**  60.4125.9115.4-42.60000121.2
65G35.6Very low33.6Very low79 Ų79122.4 Ų122.481%0.81479%0.793SS**  trans-179.187.7162.700000112.2
66D34Very low34Very low157 Ų157123.2 Ų123.284%0.8480%0.796SS**  trans-52.3152170.9-67-47.3000113.3
67T38.1Very low34.6Very low147 Ų147125.4 Ų125.490%0.90280%0.803SS**  -172.9118.3127.218.10000110.6
68G31.3Very low35Very low77 Ų77125 Ų12579%0.79480%0.803SS**  trans-81166.2172.700000113.4
69S35.9Very low35.6Very low121 Ų121122.1 Ų122.185%0.84680%0.8SS**  trans-141.4122.6152.375.10000110.6
70V35.2Very low36.1Very low112 Ų112122.9 Ų122.968%0.67980%0.799SS**  trans-73.5153.2175.9178.70000110.1
71F36.1Very low36.7Very low175 Ų175124.4 Ų124.477%0.76880%0.798SS**  158122120.7-87.6-72.2000114
72T36.1Very low37.2Very low129 Ų129126.5 Ų126.579%0.79180%0.801SS**  trans58.4125.9137.7570000118.8
73G30.6Very low37.5Very low69 Ų69128 Ų12871%0.71180%0.804SS**  cis110.6108.230.100000109
74S39.7Very low37.8Very low129 Ų129131.8 Ų131.890%0.90282%0.816SS**  trans-172.3123.3157.9-69.90000109.8
75D37.8Very low37.9Very low166 Ų166131 Ų13189%0.88881%0.811SS**  trans-70165.7-172.2-79.7-53.1000116.3
76P40.9Very low37.8Very low113 Ų113134.8 Ų134.873%0.73481%0.812SS**  trans-104.9170.1-170.539.9-30.2000113.8
77D39.2Very low37.7Very low162 Ų162134 Ų13487%0.86681%0.812SS**  trans-149.7138.6163-107.9-30.2000113.1
78S41.6Very low37.9Very low116 Ų116132.2 Ų132.281%0.81181%0.806SS**  trans94.2116.2149.867.70000123.1
79A44.7Very low38.1Very low89 Ų89137.5 Ų137.574%0.73681%0.81SS**  trans74.8103.3139.200000119
80E42.6Very low38.3Very low188 Ų188138.1 Ų138.188%0.87981%0.809SS**  61.5105.884.7-71.7-159.8135.400114.3
81S43.6Very low38Very low103 Ų103140.1 Ų140.172%0.7282%0.815SS**  161.8136.9111.9-65.90000113.8
82D39Very low38.1Very low153 Ų153137.1 Ų137.182%0.81882%0.816SS**  trans86.5113144.8-61.5-19.4000123.8
83Q40.2Very low37.8Very low184 Ų184134.5 Ų134.586%0.8682%0.815SS**  trans-29.9145.6152.1-72.1175.8-26.900114.9
84L38.8Very low37.8Very low171 Ų171137.5 Ų137.590%0.89582%0.819SS**  -166.6123.2121.3-97.3158.4000110.4
85S34.1Very low37.3Very low111 Ų111139.7 Ų139.778%0.77682%0.82SS**  trans-65.2142.6164.1-53.30000110.9
86L34Very low37Very low159 Ų159137.5 Ų137.583%0.83282%0.817SS**  trans-163.4106.8149.6-105.8149.8000110.3
87V31.6Very low36.6Very low140 Ų140135.5 Ų135.585%0.84882%0.816SS**  trans-70.6134.4154.5-98.20000108.3
88S43.1Very low36Very low109 Ų109134.6 Ų134.676%0.76282%0.816SS**  trans-154.8120.6156.1-64.50000109.5
89E35.3Very low35.6Very low188 Ų188134.4 Ų134.488%0.87982%0.815SS**  trans-66143.8169.1-57.6167.3124.900110.7
90T40.1Very low35Very low135 Ų135141.6 Ų141.683%0.82882%0.823SS**  trans172.1107.1146.5480000106.4
91D29.5Very low34.4Very low153 Ų153138.6 Ų138.682%0.81882%0.82SS**  53.4103.785.7-167.723.7000114.1
92S36.8Very low33.7Very low112 Ų112137 Ų13778%0.78382%0.821SS**  trans160.9119.1142.8-75.50000110.5
93G30Very low33.3Very low75 Ų75135.2 Ų135.277%0.77382%0.82SS**  trans-75.9164.1-172.200000116.3
94V32.3Very low32.8Very low132 Ų132135.5 Ų135.580%0.882%0.818SS**  trans-147.8116.9154.6172.10000108.7
95L29.2Very low32.7Very low175 Ų175133.1 Ų133.192%0.91681%0.811SS**  trans-69.7122.6163.2-73.2155.9000109.5
96C31.1Very low32.5Very low120 Ų120129.9 Ų129.981%0.81180%0.795SS**  trans-99.284.8166.2-75.10000110.3T98C96-T98 PolarHBondContact O-N 3Å
97G31.8Very low32.4Very low70 Ų70125 Ų12572%0.72278%0.778SS**  trans-77.3109.7164.200000110.8S99G97-S99 PolarHBondContact O-N 3.14Å
98T27.6Very low32.4Very low143 Ų143121.4 Ų121.488%0.87776%0.757SS**  trans-82.490.8165.2550000109.3C96C96-T98 PolarHBondContact O-N 3Å
99S32.1Very low31.9Very low112 Ų112118.3 Ų118.378%0.78373%0.734SS**  trans-120.2115.9163.3-56.10000108.6G97G97-S99 PolarHBondContact O-N 3.14Å
100R31.7Very low31.8Very low240 Ų240114.2 Ų114.291%0.90671%0.712SS**PPolyproline II helixtrans-46.8141.1175.8-87.3174.5167169.2-4.3111.2G102R100-G102 PolarHBondContact O-N 2.93Å; R100-G102 VanDerWaalsContact O-N 3.14Å
101P30Very low31.6Very low125 Ų125113.6 Ų113.681%0.81270%0.703SS**PPolyproline II helixtrans-62.3118.4171.2-15.828.6000110.1S103P101-S103 PolarHBondContact O-N 3.4Å
102G28.7Very low31.5Very low71 Ų71113.6 Ų113.673%0.73270%0.697SS**PPolyproline II helixtrans-58.9124.4168.900000110.1R100 F104R100-G102 PolarHBondContact O-N 2.93Å; R100-G102 VanDerWaalsContact O-N 3.14Å; G102-F104 PolarHBondContact O-N 2.95Å; G102-F104 VanDerWaalsContact O-N 3.13Å
103S31.5Very low31Very low114 Ų114113.2 Ų113.280%0.79769%0.694SS**  trans-60.4109.3-178.533.60000112.1P101 V105P101-S103 PolarHBondContact O-N 3.4Å; S103-V105 VanDerWaalsContact C-N 3.29Å; S103-V105 PolarHBondContact O-N 3.27Å
104F29.4Very low30.8Very low190 Ų190114.7 Ų114.783%0.83369%0.691SS**  trans-76.874.7169.2-138.9-97.3000109.5G102G102-F104 PolarHBondContact O-N 2.95Å; G102-F104 VanDerWaalsContact O-N 3.13Å
105V36.6Very low30.5Very low122 Ų122113.1 Ų113.174%0.73969%0.686SS**  trans-141.9110.5165-173.60000108.3S103 A107S103-V105 VanDerWaalsContact C-N 3.29Å; S103-V105 PolarHBondContact O-N 3.27Å; V105-A107 PolarHBondContact O-N 3.12Å
106G29.8Very low30.4Very low43 Ų43107.3 Ų107.344%0.44367%0.667SS.*PPolyproline II helixtrans-60.7129.5-172.900000114.4
107A33.3Very low30.2Very low57 Ų57109 Ų10947%0.47167%0.667SS.*PPolyproline II helixtrans-61.3136.9171.800000111.5V105 R262V105-A107 PolarHBondContact O-N 3.12Å; A107-R262 WeakPolarHBondContact O-CD 3.21Å
108P31.7Very low30Very low64 Ų64112.5 Ų112.542%0.41667%0.668SS.*PPolyproline II helixtrans-79.3135.3169.230.2-29.1000110.3Y110P108-Y110 HydrophobicContact CB-CD2 4.33Å; P108-Y110 HydrophobicContact CB-CE2 4.38Å; P108-Y110 PolarHBondContact O-N 3.06Å
109P31.6Very low29.9Very low43 Ų43110.1 Ų110.128%0.27966%0.655SS.*  trans-85.297.1175.433.8-26.2000108.6C261P109-C261 WeakPolarHBondContact CD-O 3.36Å; P109-C261 VanDerWaalsContact CG-C 3.42Å; P109-C261 HydrophobicContact CG-CB 4.1Å; P109-C261 WeakPolarHBondContact CG-O 3.33Å
110Y34.1Very low29.7Very low103 Ų103112.3 Ų112.340%0.40466%0.663SS.*  trans-119.4107.6154.3-67.7-74.9000105.1P108 P149 L247 T263P108-Y110 HydrophobicContact CB-CD2 4.33Å; P108-Y110 HydrophobicContact CB-CE2 4.38Å; P108-Y110 PolarHBondContact O-N 3.06Å; Y110-P149 HydrophobicContact CD2-CG 3.7Å; Y110-P149 HydrophobicContact CE2-CG 4.16Å; Y110-P149 HydrophobicContact CG-CG 4.31Å; Y110-L247 HydrophobicContact CE1-CD1 3.63Å; Y110-T263 PolarHBondContact OH-OG1 3.1Å
111L34.6Very low29.5Very low122 Ų122104.4 Ų104.464%0.63966%0.657SS**  trans10467.4-165.6-59.3162.7000112.6S113L111-S113 VanDerWaalsContact C-N 3.28Å; L111-S113 PolarHBondContact O-N 3.23Å; L111-S113 VanDerWaalsContact O-N 3.09Å
112H28.4Very low29.7Very low153 Ų153103.1 Ų103.171%0.70865%0.651SS**  trans-59.5101.8140.3-83.8-76.3000106.8
113S24.9Very low30.2Very low103 Ų103105.2 Ų105.272%0.7265%0.654SS**  trans-62.3130.8144-99.70000106L111 S115L111-S113 VanDerWaalsContact C-N 3.28Å; L111-S113 PolarHBondContact O-N 3.23Å; L111-S113 VanDerWaalsContact O-N 3.09Å; S113-S115 PolarHBondContact O-N 3.43Å
114P26.5Very low31.1Very low107 Ų107102.8 Ų102.870%0.69564%0.637SS**  trans-59.5122.9160.8-4.519.5000105.8G116P114-G116 PolarHBondContact O-N 3.24Å
115S26.5Very low32.7Very low99 Ų9997.8 Ų97.869%0.69262%0.618SS**SBendtrans-52.3102.6149.9-58.80000105.6S113 E613S113-S115 PolarHBondContact O-N 3.43Å; S115-E613 VanDerWaalsContact CB-OE2 3.32Å; S115-E613 WeakPolarHBondContact CB-OE2 3.25Å; S115-E613 PolarHBondContact OG-OE2 3.34Å
116G26.8Very low34.4Very low52 Ų5292 Ų9254%0.53658%0.584SS.*  trans18096.5-164.900000108.3P114 L118P114-G116 PolarHBondContact O-N 3.24Å; G116-L118 PolarHBondContact O-N 3.37Å
117I27.9Very low37.1Very low157 Ų15793 Ų9381%0.80558%0.575SS**  trans-15.8106.8158.5-60.7163.3000109.6P119I117-P119 WeakPolarHBondContact O-CD 3.44Å; I117-P119 VanDerWaalsContact O-N 3.13Å
118L27.4Very low39.8Very low143 Ų14391.7 Ų91.775%0.74956%0.56SS**  trans-56.5123.3168.4-80.4171.3000106.2G116 V120G116-L118 PolarHBondContact O-N 3.37Å; L118-V120 PolarHBondContact O-N 2.98Å; L118-V120 VanDerWaalsContact O-N 3.11Å
119P24.9Very low42.5Very low93 Ų9388.7 Ų88.760%0.60454%0.54SS*.  trans-60123.9172.825.2-29.4000106.5I117 G121I117-P119 WeakPolarHBondContact O-CD 3.44Å; I117-P119 VanDerWaalsContact O-N 3.13Å; P119-G121 PolarHBondContact O-N 3.48Å
120V28Very low45.4Very low157 Ų15789.4 Ų89.495%0.95254%0.544SS*.THydrogen-bonded Turntrans-51.3102.4168.9177.20000106.9L118L118-V120 PolarHBondContact O-N 2.98Å; L118-V120 VanDerWaalsContact O-N 3.11Å
121G27.1Very low48.1Very low74 Ų7484.5 Ų84.576%0.76353%0.525SS*.THydrogen-bonded Turntrans139.611.9174.300000119.9P119P119-G121 PolarHBondContact O-N 3.48Å
122S34Very low50.8Low98 Ų9880.8 Ų80.869%0.68551%0.508SS*.  trans-127.5118.7174.6-70.90000113.3C124S122-C124 PolarHBondContact O-N 2.99Å; S122-C124 VanDerWaalsContact O-N 3.14Å
123S39.9Very low53.5Low116 Ų11676.1 Ų76.181%0.81150%0.496SS*.  trans-62.2104.8172.410.40000109.9
124C49.4Very low56.6Low63 Ų6373.4 Ų73.443%0.42648%0.476SS..  trans-89.1117.1170.154.60000109.3S122S122-C124 PolarHBondContact O-N 2.99Å; S122-C124 VanDerWaalsContact O-N 3.14Å
125N62.9Low59.7Low84 Ų8474.8 Ų74.845%0.44947%0.473SS..  trans-81.6152.8164.1-76.3-27.3000108.4
126G73.6Confident62.6Low2 Ų276.3 Ų76.32%0.02147%0.468CS..  trans173.8166.4175.800000113.2G141G126-G141 WeakPolarHBondContact CA-O 3.43Å
127Y85.5Confident65.5Low64 Ų6477.8 Ų77.825%0.25147%0.466SS..EExtended strand (participates in β ladder)trans-98.4140.6-179.2-67-87.5000111.6Q35 T36 H37 L140 G141 D142 G144Q35-Y127 HydrophobicContact CB-CD1 4.25Å; Q35-Y127 VanDerWaalsContact CD-CD1 3.49Å; Q35-Y127 HydrophobicContact CG-CD1 3.72Å; Q35-Y127 HydrophobicContact CG-CE1 4.31Å; Q35-Y127 HydrophobicContact CG-CG 4.42Å; T36-Y127 WeakPolarHBondContact O-CA 3.47Å; H37-Y127 HydrophobicContact CB-CD1 4.24Å; H37-Y127 HydrophobicContact CB-CE1 3.98Å; H37-Y127 AromaticContact CD2-CE1 3.92Å; H37-Y127 AromaticContact CD2-CZ 3.84Å; Y127-L140 PolarHBondContact O-N 3.18Å; Y127-G141 WeakPolarHBondContact CD2-O 3.49Å; Y127-G141 PolarHBondContact N-O 3.09Å; Y127-G141 VanDerWaalsContact N-O 3.08Å; Y127-D142 WeakPolarHBondContact CE2-O 3.27Å; Y127-G144 VanDerWaalsContact CD2-CA 3.47Å
128L89.4Confident68.3Low28 Ų2872.1 Ų72.115%0.14744%0.436CS..EExtended strand (participates in β ladder)trans-109.4138.7171.4-70.6163.9000110.2Q35 T36 K38 Y40 T137 F138 F139Q35-L128 CarbonylContact C-O 3.58Å; Q35-L128 VanDerWaalsContact CA-O 3.23Å; Q35-L128 WeakPolarHBondContact CA-O 3.34Å; T36-L128 PolarHBondContact N-O 2.94Å; T36-L128 PolarHBondContact O-N 3.39Å; K38-L128 HydrophobicContact CD-CD1 4.37Å; Y40-L128 HydrophobicContact CE2-CD1 4.24Å; L128-T137 HydrophobicContact CD2-CG2 4.32Å; L128-F138 CarbonylContact C-O 3.5Å; L128-F138 WeakPolarHBondContact CA-O 3.47Å; L128-F139 HydrophobicContact CD2-CB 4.14Å; L128-F139 HydrophobicContact CD2-CD2 4.11Å
129L89.1Confident71.2Confident2 Ų270 Ų701%0.0142%0.421CS..EExtended strand (participates in β ladder)trans-136.7127176.5-173.1152.8000111.2L20 L26 A31 Q35 T137 F138 L140 A145L20-L129 HydrophobicContact CD2-CD2 3.31Å; L20-L129 HydrophobicContact CG-CD2 4.13Å; L26-L129 HydrophobicContact CD1-CD2 4.26Å; A31-L129 HydrophobicContact CB-CD1 3.82Å; A31-L129 WeakPolarHBondContact O-CD1 3.46Å; Q35-L129 HydrophobicContact CB-CD1 4.43Å; L129-T137 WeakPolarHBondContact O-CA 3.5Å; L129-F138 PolarHBondContact N-O 2.93Å; L129-F138 PolarHBondContact O-N 3.35Å; L129-L140 HydrophobicContact CB-CD1 3.71Å; L129-L140 HydrophobicContact CB-CG 4.32Å; L129-L140 HydrophobicContact CD1-CD1 4.07Å; L129-A145 HydrophobicContact CD1-CB 4.41Å
130T92Very high74Confident57 Ų5766 Ų6635%0.3539%0.394SS..EExtended strand (participates in β ladder)trans-96.8126.1173.5-53.60000110.3P132 K136 T137T130-P132 WeakPolarHBondContact O-CD 3.46Å; T130-K136 WeakPolarHBondContact CA-O 3.48Å; T130-T137 PolarHBondContact OG1-OG1 2.9Å
131C91.5Very high76.4Confident1 Ų159.4 Ų59.41%0.00736%0.357CS..  trans-71.9121.4178179.60000110.4L20 A133 Q135 K136 F138L20-C131 HydrophobicContact CD2-CB 3.62Å; C131-A133 PolarHBondContact O-N 3.38Å; C131-A133 PolarHBondContact SG-N 3.37Å; C131-Q135 WeakPolarHBondContact O-CA 3.19Å; C131-Q135 PolarHBondContact O-N 2.93Å; C131-K136 PolarHBondContact N-O 3.26Å; C131-F138 HydrophobicContact CB-CE2 4.23Å
132P90.2Very high78.8Confident44 Ų4461 Ų6129%0.28635%0.348SS..THydrogen-bonded Turntrans-71-16179.628.3-35.2000113.8P8 V9 L26 L34 T130 Q135P8-P132 HydrophobicContact CB-CG 4.31Å; P8-P132 HydrophobicContact CG-CG 3.89Å; V9-P132 HydrophobicContact CG2-CG 3.81Å; L26-P132 HydrophobicContact CD2-CG 3.79Å; L34-P132 HydrophobicContact CD1-CG 4.34Å; T130-P132 WeakPolarHBondContact O-CD 3.46Å; P132-Q135 PolarHBondContact O-NE2 3.1Å
133A86.9Confident80.8Confident55 Ų5563 Ų6346%0.45535%0.347SS..THydrogen-bonded Turntrans-83.5-37.7-179.800000112.9H24 C131H24-A133 HydrophobicContact CB-CB 4.27Å; C131-A133 PolarHBondContact O-N 3.38Å; C131-A133 PolarHBondContact SG-N 3.37Å
134C89.9Confident83Confident45 Ų4557.5 Ų57.530%0.30431%0.309SS..THydrogen-bonded Turntrans-125.24.3-177.7730000114.6C22 K136C22-C134 VanDerWaalsContact SG-SG 3.69Å; C134-K136 PolarHBondContact O-N 3.5Å
135Q91.6Very high84.7Confident137 Ų13754.5 Ų54.564%0.6429%0.288SS*.  trans58.714.6178.8-56-62.8-14.300115.9C131 P132C131-Q135 WeakPolarHBondContact O-CA 3.19Å; C131-Q135 PolarHBondContact O-N 2.93Å; P132-Q135 PolarHBondContact O-NE2 3.1Å
136K86Confident85.7Confident131 Ų13156.4 Ų56.457%0.5730%0.295SS*.  trans-81.6136.8176.3-67.7-175.5179.8-1750111.2T130 C131 C134 F138T130-K136 WeakPolarHBondContact CA-O 3.48Å; C131-K136 PolarHBondContact N-O 3.26Å; C134-K136 PolarHBondContact O-N 3.5Å; K136-F138 HydrophobicContact CB-CE1 4.34Å; K136-F138 HydrophobicContact CB-CE2 3.74Å; K136-F138 HydrophobicContact CB-CZ 3.45Å; K136-F138 VanDerWaalsContact CB-CZ 3.45Å; K136-F138 HydrophobicContact CD-CZ 4.31Å; K136-F138 VanDerWaalsContact O-CE2 3.27Å; K136-F138 WeakPolarHBondContact O-CE2 3.43Å
137T88Confident86.1Confident82 Ų8259 Ų5950%0.50332%0.315SS..EExtended strand (participates in β ladder)trans-101.7135.9-179.9-57.70000111.3L128 L129 T130L128-T137 HydrophobicContact CD2-CG2 4.32Å; L129-T137 WeakPolarHBondContact O-CA 3.5Å; T130-T137 PolarHBondContact OG1-OG1 2.9Å
138F86.7Confident86.1Confident39 Ų3956.5 Ų56.517%0.17131%0.306CS..EExtended strand (participates in β ladder)trans-127.6139.9-176.1-56.8-74000111.8P21 C22 L128 L129 C131 K136 L140P21-F138 HydrophobicContact CB-CD1 3.61Å; P21-F138 HydrophobicContact CB-CE1 3.71Å; P21-F138 HydrophobicContact CB-CG 4.12Å; P21-F138 HydrophobicContact CB-CZ 4.3Å; P21-F138 HydrophobicContact CG-CB 4.09Å; P21-F138 HydrophobicContact CG-CD1 3.7Å; P21-F138 HydrophobicContact CG-CD2 4.36Å; P21-F138 HydrophobicContact CG-CE1 4.28Å; P21-F138 HydrophobicContact CG-CG 3.76Å; C22-F138 HydrophobicContact CB-CE2 3.94Å; C22-F138 HydrophobicContact CB-CZ 3.61Å; L128-F138 CarbonylContact C-O 3.5Å; L128-F138 WeakPolarHBondContact CA-O 3.47Å; L129-F138 PolarHBondContact N-O 2.93Å; L129-F138 PolarHBondContact O-N 3.35Å; C131-F138 HydrophobicContact CB-CE2 4.23Å; K136-F138 HydrophobicContact CB-CE1 4.34Å; K136-F138 HydrophobicContact CB-CE2 3.74Å; K136-F138 HydrophobicContact CB-CZ 3.45Å; K136-F138 VanDerWaalsContact CB-CZ 3.45Å; K136-F138 HydrophobicContact CD-CZ 4.31Å; K136-F138 VanDerWaalsContact O-CE2 3.27Å; K136-F138 WeakPolarHBondContact O-CE2 3.43Å; F138-L140 HydrophobicContact CB-CD2 4.21Å
139F88.6Confident85.8Confident98 Ų9857 Ų5743%0.4331%0.312SS..EExtended strand (participates in β ladder)trans-87125.8167.5-177.3-99.9000109.7L128L128-F139 HydrophobicContact CD2-CB 4.14Å; L128-F139 HydrophobicContact CD2-CD2 4.11Å
140L82.9Confident85.6Confident10 Ų1062.5 Ų62.55%0.05233%0.332CS..  trans-108.14.5-171.8-58.4-175.3000113.7Y127 L129 F138 A145 L148Y127-L140 PolarHBondContact O-N 3.18Å; L129-L140 HydrophobicContact CB-CD1 3.71Å; L129-L140 HydrophobicContact CB-CG 4.32Å; L129-L140 HydrophobicContact CD1-CD1 4.07Å; F138-L140 HydrophobicContact CB-CD2 4.21Å; L140-A145 HydrophobicContact CD1-CB 4.26Å; L140-L148 HydrophobicContact CD1-CD1 4.28Å; L140-L148 HydrophobicContact CD2-CD2 3.86Å; L140-L148 HydrophobicContact CD2-CG 4.45Å
141G78.6Confident85.3Confident17 Ų1761 Ų6118%0.17532%0.322CS..  trans66.7-166.1-174.900000113.7G126 Y127 H143 G144G126-G141 WeakPolarHBondContact CA-O 3.43Å; Y127-G141 WeakPolarHBondContact CD2-O 3.49Å; Y127-G141 PolarHBondContact N-O 3.09Å; Y127-G141 VanDerWaalsContact N-O 3.08Å; G141-H143 VanDerWaalsContact C-N 3.28Å; G141-H143 PolarHBondContact O-N 2.87Å; G141-G144 PolarHBondContact O-N 2.77Å
142D78.3Confident84.9Confident107 Ų10767.9 Ų67.957%0.57235%0.348SS*.THydrogen-bonded Turntrans-68.8-21.9-174.4-68-44.7000114.4Y127Y127-D142 WeakPolarHBondContact CE2-O 3.27Å
143H76.3Confident84.6Confident141 Ų14168.9 Ų68.965%0.65336%0.36SS*.THydrogen-bonded Turntrans-92.4-8.3-178-57.1-47.2000113.2G141 Q146 A147G141-H143 VanDerWaalsContact C-N 3.28Å; G141-H143 PolarHBondContact O-N 2.87Å; H143-Q146 WeakPolarHBondContact O-CB 3.36Å; H143-Q146 PolarHBondContact O-N 3.38Å; H143-A147 HydrophobicContact CB-CB 3.6Å
144G84.8Confident84.6Confident1 Ų167.5 Ų67.51%0.0135%0.345CS..G310 helixtrans53.4-148.6177.400000114.1Y127 G141 Q146 A147Y127-G144 VanDerWaalsContact CD2-CA 3.47Å; G141-G144 PolarHBondContact O-N 2.77Å; G144-Q146 PolarHBondContact O-N 3.24Å; G144-Q146 VanDerWaalsContact O-N 3.07Å; G144-A147 PolarHBondContact O-N 3.36Å; G144-A147 VanDerWaalsContact O-N 3.09Å
145A85.6Confident84Confident0 Ų067 Ų670%034%0.343CS..G310 helixtrans-61.5-16.7-179.700000113.7A31 L32 Q35 L129 L140 A147 L148A31-A145 HydrophobicContact CB-CB 3.63Å; L32-A145 HydrophobicContact CD2-CB 4.04Å; L32-A145 HydrophobicContact CG-CB 4.33Å; Q35-A145 VanDerWaalsContact OE1-CB 3.27Å; L129-A145 HydrophobicContact CD1-CB 4.41Å; L140-A145 HydrophobicContact CD1-CB 4.26Å; A145-A147 VanDerWaalsContact C-N 3.27Å; A145-A147 PolarHBondContact O-N 2.7Å; A145-L148 HydrophobicContact CB-CD1 4.21Å; A145-L148 WeakPolarHBondContact O-CB 3.47Å; A145-L148 PolarHBondContact O-N 2.91Å
146Q85Confident83.5Confident124 Ų12464.5 Ų64.558%0.57933%0.334SS*.G310 helixtrans-69.1-26.1175.4-58.9-167.15.500112.9L32 H143 G144 L148 R150L32-Q146 HydrophobicContact CD2-CG 3.74Å; H143-Q146 WeakPolarHBondContact O-CB 3.36Å; H143-Q146 PolarHBondContact O-N 3.38Å; G144-Q146 PolarHBondContact O-N 3.24Å; G144-Q146 VanDerWaalsContact O-N 3.07Å; Q146-L148 VanDerWaalsContact C-N 3.32Å; Q146-R150 PolarHBondContact O-NH1 3.44Å; Q146-R150 PolarHBondContact O-NH2 3.45Å
147A81.6Confident83.4Confident55 Ų5560.9 Ų60.946%0.45532%0.323SS..G310 helixtrans-81.7-10.9177.300000113.4H143 G144 A145H143-A147 HydrophobicContact CB-CB 3.6Å; G144-A147 PolarHBondContact O-N 3.36Å; G144-A147 VanDerWaalsContact O-N 3.09Å; A145-A147 VanDerWaalsContact C-N 3.27Å; A145-A147 PolarHBondContact O-N 2.7Å
148L85.3Confident82.9Confident13 Ų1357.7 Ų57.77%0.06830%0.303CS..SBendtrans-64.4143.1-178.3-70175.7000112.2V18 L140 A145 Q146 R150V18-L148 HydrophobicContact CB-CB 3.85Å; V18-L148 HydrophobicContact CB-CD1 4.3Å; V18-L148 HydrophobicContact CG1-CB 4.23Å; V18-L148 HydrophobicContact CG2-CB 4.47Å; V18-L148 HydrophobicContact CG2-CD1 4.03Å; L140-L148 HydrophobicContact CD1-CD1 4.28Å; L140-L148 HydrophobicContact CD2-CD2 3.86Å; L140-L148 HydrophobicContact CD2-CG 4.45Å; A145-L148 HydrophobicContact CB-CD1 4.21Å; A145-L148 WeakPolarHBondContact O-CB 3.47Å; A145-L148 PolarHBondContact O-N 2.91Å; Q146-L148 VanDerWaalsContact C-N 3.32Å; L148-R150 WeakPolarHBondContact O-CD 3.4Å; L148-R150 PolarHBondContact O-NH1 2.87Å
149P82.8Confident82.5Confident39 Ų3959.8 Ų59.825%0.25332%0.316SS..PPolyproline II helixtrans-60.1139.9175.5-22.833.1000111.9V18 L19 Y110V18-P149 CarbonylContact C-O 3.57Å; V18-P149 WeakPolarHBondContact CA-O 3.49Å; L19-P149 PolarHBondContact N-O 2.94Å; Y110-P149 HydrophobicContact CD2-CG 3.7Å; Y110-P149 HydrophobicContact CE2-CG 4.16Å; Y110-P149 HydrophobicContact CG-CG 4.31Å
150R84.8Confident82.1Confident117 Ų11762.7 Ų62.744%0.44232%0.324SS..BIsolated β-bridgetrans-82.6128.2179.6-74.254.7168.3-174.4-0.7108.8P17 Q146 L148 R152P17-R150 CarbonylContact O-C 3.44Å; P17-R150 WeakPolarHBondContact O-CA 3.34Å; Q146-R150 PolarHBondContact O-NH1 3.44Å; Q146-R150 PolarHBondContact O-NH2 3.45Å; L148-R150 WeakPolarHBondContact O-CD 3.4Å; L148-R150 PolarHBondContact O-NH1 2.87Å; R150-R152 PolarHBondContact O-N 2.91Å
151N85.8Confident82Confident26 Ų2663.2 Ų63.214%0.13933%0.326CS..  trans-78.372.7177.2-162.1-19.1000111.3P17 L19 S25 A153 L154 A155P17-N151 HydrophobicContact CB-CB 3.96Å; P17-N151 HydrophobicContact CG-CB 3.99Å; P17-N151 WeakPolarHBondContact CG-O 3.31Å; P17-N151 PolarHBondContact O-N 3.4Å; L19-N151 HydrophobicContact CD1-CB 4.4Å; L19-N151 HydrophobicContact CD2-CB 4.19Å; L19-N151 WeakPolarHBondContact CD2-ND2 3.49Å; L19-N151 HydrophobicContact CG-CB 3.87Å; S25-N151 PolarHBondContact OG-ND2 3.17Å; N151-A153 PolarHBondContact O-N 3.19Å; N151-L154 HydrophobicContact CB-CB 4.04Å; N151-L154 WeakPolarHBondContact ND2-CB 3.39Å; N151-L154 PolarHBondContact O-N 3.41Å; N151-L154 WeakPolarHBondContact OD1-CB 3.38Å; N151-L154 PolarHBondContact OD1-N 3.46Å; N151-A155 PolarHBondContact O-N 2.96Å; N151-A155 VanDerWaalsContact O-N 3.1Å
152R83.8Confident81.9Confident145 Ų14564 Ų6455%0.54733%0.328SS..Hα-helixtrans-60.6-32.6179.4-65.4-177.9176.7171.6-0.7112.4R150 A155 N156 C244R150-R152 PolarHBondContact O-N 2.91Å; R152-A155 PolarHBondContact O-N 3.46Å; R152-N156 WeakPolarHBondContact O-CB 3.25Å; R152-N156 PolarHBondContact O-N 3.49Å; R152-N156 PolarHBondContact O-ND2 3.37Å; R152-C244 PolarHBondContact NH1-SG 3.47Å; R152-C244 VanDerWaalsContact NH1-SG 3.4Å
153A83Confident81.8Confident65 Ų6563.6 Ų63.654%0.53733%0.333SS..Hα-helixtrans-62.5-49.2177.400000111.2N151 N156 V157N151-A153 PolarHBondContact O-N 3.19Å; A153-N156 PolarHBondContact O-N 3.38Å; A153-V157 WeakPolarHBondContact O-CG2 3.14Å; A153-V157 PolarHBondContact O-N 3.36Å
154L86.5Confident81.8Confident26 Ų2665.1 Ų65.114%0.13634%0.338CS..Hα-helixtrans-62-44.5176.7-179.758.6000112L5 F14 P17 N151 N156 V157 I158L5-L154 HydrophobicContact CD2-CD1 3.91Å; F14-L154 HydrophobicContact CB-CD2 4.38Å; F14-L154 HydrophobicContact CD1-CD2 4.37Å; F14-L154 HydrophobicContact CD2-CD1 4.42Å; F14-L154 HydrophobicContact CD2-CD2 3.59Å; F14-L154 HydrophobicContact CD2-CG 4.21Å; F14-L154 HydrophobicContact CE2-CD2 3.84Å; F14-L154 HydrophobicContact CG-CD2 3.87Å; F14-L154 HydrophobicContact CZ-CD2 4.33Å; P17-L154 HydrophobicContact CB-CD2 3.97Å; P17-L154 HydrophobicContact CG-CB 4.37Å; P17-L154 HydrophobicContact CG-CD2 4.3Å; P17-L154 HydrophobicContact CG-CG 4.42Å; N151-L154 HydrophobicContact CB-CB 4.04Å; N151-L154 WeakPolarHBondContact ND2-CB 3.39Å; N151-L154 PolarHBondContact O-N 3.41Å; N151-L154 WeakPolarHBondContact OD1-CB 3.38Å; N151-L154 PolarHBondContact OD1-N 3.46Å; L154-N156 VanDerWaalsContact C-N 3.3Å; L154-N156 PolarHBondContact O-N 2.88Å; L154-V157 PolarHBondContact O-N 3.4Å; L154-V157 VanDerWaalsContact O-N 3.09Å; L154-I158 HydrophobicContact CD1-CD1 4.21Å; L154-I158 HydrophobicContact CD1-CG1 4.37Å; L154-I158 HydrophobicContact CG-CD1 4.06Å; L154-I158 WeakPolarHBondContact O-CG1 3.34Å; L154-I158 PolarHBondContact O-N 3.41Å
155A78.6Confident81.1Confident33 Ų3370.7 Ų70.727%0.27336%0.363SS..Hα-helixtrans-56.6-44.6174.900000111.8P17 N151 R152 V157 I158 L159P17-A155 HydrophobicContact CG-CB 4.23Å; N151-A155 PolarHBondContact O-N 2.96Å; N151-A155 VanDerWaalsContact O-N 3.1Å; R152-A155 PolarHBondContact O-N 3.46Å; A155-V157 VanDerWaalsContact C-N 3.34Å; A155-V157 PolarHBondContact O-N 2.96Å; A155-I158 PolarHBondContact O-N 3.49Å; A155-L159 WeakPolarHBondContact O-CG 3.34Å; A155-L159 PolarHBondContact O-N 3.4Å
156N80.9Confident79.8Confident85 Ų8573.7 Ų73.746%0.45540%0.395SS..Hα-helixtrans-68.8-29176.9-69.7-18.1000113.4R152 A153 L154 R160R152-N156 WeakPolarHBondContact O-CB 3.25Å; R152-N156 PolarHBondContact O-N 3.49Å; R152-N156 PolarHBondContact O-ND2 3.37Å; A153-N156 PolarHBondContact O-N 3.38Å; L154-N156 VanDerWaalsContact C-N 3.3Å; L154-N156 PolarHBondContact O-N 2.88Å; N156-R160 WeakPolarHBondContact O-CG 3.42Å; N156-R160 PolarHBondContact O-N 2.87Å; N156-R160 PolarHBondContact O-NE 3.26Å
157V83.2Confident77.9Confident56 Ų5672.5 Ų72.534%0.33941%0.406SS..Hα-helixtrans-70.1-45172.8170.90000110.1L5 A153 L154 A155 L159 R160 F161L5-V157 HydrophobicContact CD2-CG1 3.81Å; A153-V157 WeakPolarHBondContact O-CG2 3.14Å; A153-V157 PolarHBondContact O-N 3.36Å; L154-V157 PolarHBondContact O-N 3.4Å; L154-V157 VanDerWaalsContact O-N 3.09Å; A155-V157 VanDerWaalsContact C-N 3.34Å; A155-V157 PolarHBondContact O-N 2.96Å; V157-L159 PolarHBondContact O-N 3.31Å; V157-R160 PolarHBondContact O-N 2.74Å; V157-F161 WeakPolarHBondContact O-CB 3.45Å; V157-F161 PolarHBondContact O-N 2.76Å
158I77.9Confident75.9Confident15 Ų1573 Ų738%0.07742%0.416CS..Hα-helixtrans-60.6-46.2177.1-67.4166.9000110.7L5 F13 F14 L154 A155 R160 F161 C162L5-I158 HydrophobicContact CB-CG1 4.21Å; L5-I158 HydrophobicContact CD2-CG1 4.01Å; L5-I158 HydrophobicContact CG-CG1 4.48Å; F13-I158 HydrophobicContact CB-CG2 4.19Å; F13-I158 HydrophobicContact CD1-CG2 4.35Å; F13-I158 HydrophobicContact CG-CG2 4.45Å; F14-I158 HydrophobicContact CB-CD1 3.58Å; F14-I158 HydrophobicContact CD2-CD1 4.13Å; F14-I158 HydrophobicContact CG-CD1 4.35Å; L154-I158 HydrophobicContact CD1-CD1 4.21Å; L154-I158 HydrophobicContact CD1-CG1 4.37Å; L154-I158 HydrophobicContact CG-CD1 4.06Å; L154-I158 WeakPolarHBondContact O-CG1 3.34Å; L154-I158 PolarHBondContact O-N 3.41Å; A155-I158 PolarHBondContact O-N 3.49Å; I158-R160 VanDerWaalsContact C-N 3.35Å; I158-R160 PolarHBondContact O-N 3.17Å; I158-F161 PolarHBondContact O-N 3.38Å; I158-C162 WeakPolarHBondContact O-CB 3.47Å; I158-C162 PolarHBondContact O-N 3.47Å; I158-C162 PolarHBondContact O-SG 3.08Å
159L77.5Confident73.8Confident83 Ų8383.8 Ų83.844%0.43546%0.456SS..Hα-helixtrans-56.1-48.9175.3-73.5172.6000111.3A155 V157 F161 C162 S163 F232A155-L159 WeakPolarHBondContact O-CG 3.34Å; A155-L159 PolarHBondContact O-N 3.4Å; V157-L159 PolarHBondContact O-N 3.31Å; L159-F161 PolarHBondContact O-N 3.28Å; L159-C162 PolarHBondContact O-N 3.05Å; L159-S163 WeakPolarHBondContact O-CB 3.26Å; L159-S163 PolarHBondContact O-N 3.01Å; L159-S163 PolarHBondContact O-OG 3.03Å; L159-F232 HydrophobicContact CD2-CD1 4.49Å; L159-F232 HydrophobicContact CD2-CE1 4.29Å
160R81.7Confident71.5Confident159 Ų15993.9 Ų93.960%0.649%0.489SS*.Hα-helixtrans-63.4-38.6177.8-75.8-179.5-78.5176.2-2.9112.9N156 V157 I158 K164N156-R160 WeakPolarHBondContact O-CG 3.42Å; N156-R160 PolarHBondContact O-N 2.87Å; N156-R160 PolarHBondContact O-NE 3.26Å; V157-R160 PolarHBondContact O-N 2.74Å; I158-R160 VanDerWaalsContact C-N 3.35Å; I158-R160 PolarHBondContact O-N 3.17Å; R160-K164 WeakPolarHBondContact O-CG 3.42Å; R160-K164 PolarHBondContact O-N 3.36Å
161F79.4Confident68.9Low21 Ų2196.6 Ų96.69%0.09251%0.513CS..Hα-helixtrans-67.2-49.7178.2-176.5-94000111.2M1 E2 L5 F13 V157 I158 L159 S163 K164 H165M1-F161 HydrophobicContact CB-CE2 4.3Å; M1-F161 HydrophobicContact CG-CD2 4.14Å; M1-F161 HydrophobicContact CG-CE2 3.92Å; M1-F161 HydrophobicContact SD-CD2 3.5Å; M1-F161 VanDerWaalsContact SD-CD2 3.5Å; M1-F161 HydrophobicContact SD-CE2 3.6Å; M1-F161 VanDerWaalsContact SD-CE2 3.6Å; E2-F161 HydrophobicContact CG-CE1 3.78Å; E2-F161 HydrophobicContact CG-CZ 3.53Å; L5-F161 HydrophobicContact CD1-CB 3.68Å; L5-F161 HydrophobicContact CD1-CD1 3.6Å; L5-F161 HydrophobicContact CD1-CD2 3.86Å; L5-F161 HydrophobicContact CD1-CE1 4.21Å; L5-F161 HydrophobicContact CD1-CE2 4.43Å; L5-F161 HydrophobicContact CD1-CG 3.41Å; L5-F161 VanDerWaalsContact CD1-CG 3.41Å; F13-F161 HydrophobicContact CE1-CD1 4.25Å; F13-F161 HydrophobicContact CE1-CE1 4.28Å; F13-F161 HydrophobicContact CZ-CD1 4.43Å; F13-F161 HydrophobicContact CZ-CE1 4.22Å; V157-F161 WeakPolarHBondContact O-CB 3.45Å; V157-F161 PolarHBondContact O-N 2.76Å; I158-F161 PolarHBondContact O-N 3.38Å; L159-F161 PolarHBondContact O-N 3.28Å; F161-S163 PolarHBondContact O-N 3.24Å; F161-K164 PolarHBondContact O-N 3.4Å; F161-K164 VanDerWaalsContact O-N 3.16Å; F161-H165 AromaticContact CD2-CD2 3.61Å; F161-H165 HydrophobicContact CE1-CB 4.41Å; F161-H165 AromaticContact CE2-CD2 3.39Å; F161-H165 WeakPolarHBondContact CE2-CD2 3.36Å; F161-H165 AromaticContact CE2-NE2 3.7Å; F161-H165 HydrophobicContact CZ-CB 4.49Å; F161-H165 AromaticContact CZ-CD2 3.71Å; F161-H165 PolarHBondContact O-CD2 2.92Å; F161-H165 PolarHBondContact O-N 3.03Å
162C76.8Confident66.2Low34 Ų3498.6 Ų98.623%0.2354%0.539CS..Hα-helixtrans-63.8-38.3177.9-67.80000112.3I158 L159 K164 G166I158-C162 WeakPolarHBondContact O-CB 3.47Å; I158-C162 PolarHBondContact O-N 3.47Å; I158-C162 PolarHBondContact O-SG 3.08Å; L159-C162 PolarHBondContact O-N 3.05Å; C162-K164 VanDerWaalsContact C-N 3.3Å; C162-K164 PolarHBondContact O-N 3.36Å; C162-G166 WeakPolarHBondContact O-CA 3.33Å; C162-G166 PolarHBondContact O-N 2.86Å
163S76.7Confident63.6Low97 Ų9796.7 Ų96.768%0.67855%0.548SS*.Hα-helixtrans-63.8-34.7174-640000112.7L159 F161L159-S163 WeakPolarHBondContact O-CB 3.26Å; L159-S163 PolarHBondContact O-N 3.01Å; L159-S163 PolarHBondContact O-OG 3.03Å; F161-S163 PolarHBondContact O-N 3.24Å
164K75.3Confident61.1Low173 Ų173102.2 Ų102.275%0.75256%0.562SS**Hα-helixtrans-79.8-38.2179.2-75.4-176.2177.1-170.20113.5R160 F161 C162R160-K164 WeakPolarHBondContact O-CG 3.42Å; R160-K164 PolarHBondContact O-N 3.36Å; F161-K164 PolarHBondContact O-N 3.4Å; F161-K164 VanDerWaalsContact O-N 3.16Å; C162-K164 VanDerWaalsContact C-N 3.3Å; C162-K164 PolarHBondContact O-N 3.36Å
165H72.1Confident58.3Low118 Ų118106.4 Ų106.455%0.54659%0.594SS.*Hα-helixtrans-105-15.8-172.9-68.7-77.9000114.3F161F161-H165 AromaticContact CD2-CD2 3.61Å; F161-H165 HydrophobicContact CE1-CB 4.41Å; F161-H165 AromaticContact CE2-CD2 3.39Å; F161-H165 WeakPolarHBondContact CE2-CD2 3.36Å; F161-H165 AromaticContact CE2-NE2 3.7Å; F161-H165 HydrophobicContact CZ-CB 4.49Å; F161-H165 AromaticContact CZ-CD2 3.71Å; F161-H165 PolarHBondContact O-CD2 2.92Å; F161-H165 PolarHBondContact O-N 3.03Å
166G56.5Low56.1Low64 Ų64109.7 Ų109.766%0.6661%0.612SS**THydrogen-bonded Turntrans-87.3-3.5-171.900000116.3C162C162-G166 WeakPolarHBondContact O-CA 3.33Å; C162-G166 PolarHBondContact O-N 2.86Å
167A46.8Very low53.5Low98 Ų98112.2 Ų112.281%0.8163%0.626SS**THydrogen-bonded Turntrans-92-1.6-178.700000114.7
168G39.5Very low51.3Low65 Ų65116.5 Ų116.567%0.6765%0.652SS**SBendtrans-135.58.2-163.100000119.3
169R39.7Very low49.3Very low241 Ų241121.3 Ų121.391%0.90968%0.682SS**  trans-138.645.9-176.3-70.9-165.5179.8-165.61.5115.8
170R35.8Very low47.6Very low250 Ų250121.6 Ų121.694%0.94370%0.697SS**  trans-12077.4163.5-73.7-170.5179.5-173.3-0.5110.9
171N29.9Very low46.2Very low175 Ų175119.6 Ų119.694%0.93670%0.698SS**  trans-94.5113.6154.6-90.7-7.4000107
172G29.5Very low45.7Very low67 Ų67120.1 Ų120.169%0.69171%0.709SS**SBendtrans147.679.1176.600000113.4H174G172-H174 PolarHBondContact O-N 3.27Å
173S28.4Very low45.9Very low106 Ų106123.2 Ų123.274%0.74172%0.719SS**SBendtrans19.395148.156.80000118.5
174H30.2Very low46.4Very low181 Ų181118.9 Ų118.984%0.83869%0.688SS**  167.6102.4125.6-87.8-54.4000107G172 P176G172-H174 PolarHBondContact O-N 3.27Å; H174-P176 VanDerWaalsContact O-CD 3.29Å; H174-P176 WeakPolarHBondContact O-CD 3.37Å
175S27.2Very low46.9Very low114 Ų114116.2 Ų116.280%0.79768%0.678SS**  trans-84.2113.6175-172.90000108.5
176P32.9Very low47.6Very low101 Ų101113.8 Ų113.866%0.65667%0.669SS**  trans-89.9120.7157.327.1-13.4000107.6H174 V178H174-P176 VanDerWaalsContact O-CD 3.29Å; H174-P176 WeakPolarHBondContact O-CD 3.37Å; P176-V178 PolarHBondContact O-N 2.97Å
177N27.7Very low49.1Very low138 Ų138112.2 Ų112.274%0.73865%0.648SS**  trans-43.2107.2170-82.7-45000111.1T179N177-T179 PolarHBondContact O-N 3.48Å
178V35.5Very low50.6Low147 Ų147115.9 Ų115.989%0.89165%0.654SS**  trans-76.982.8163.3-179.20000106.7P176 A180P176-V178 PolarHBondContact O-N 2.97Å; V178-A180 VanDerWaalsContact C-N 3.33Å; V178-A180 PolarHBondContact O-N 3.36Å
179T36.4Very low52.5Low115 Ų115116.7 Ų116.771%0.70665%0.649SS**  trans-65.991.5170.126.10000109.7N177 N181N177-T179 PolarHBondContact O-N 3.48Å; T179-N181 VanDerWaalsContact C-N 3.27Å; T179-N181 PolarHBondContact O-N 3.39Å
180A41.7Very low54.1Low90 Ų90111.4 Ų111.474%0.74465%0.649SS**SBend36.632.9124.900000120.8V178V178-A180 VanDerWaalsContact C-N 3.33Å; V178-A180 PolarHBondContact O-N 3.36Å
181N53.4Low56.1Low116 Ų116107.3 Ų107.362%0.6264%0.641SS**  trans-159105.1155.2-97.4-34.5000109.8T179 K183T179-N181 VanDerWaalsContact C-N 3.27Å; T179-N181 PolarHBondContact O-N 3.39Å; N181-K183 HydrophobicContact CB-CG 4.5Å; N181-K183 PolarHBondContact O-N 3.4Å
182G67.1Low58.4Low33 Ų33101.3 Ų101.334%0.3461%0.611SS.*  trans-67.641172.900000113.6A194 A195G182-A194 CarbonylContact O-C 3.52Å; G182-A194 VanDerWaalsContact O-CA 3.31Å; G182-A194 WeakPolarHBondContact O-CA 3.19Å; G182-A195 PolarHBondContact O-N 3.01Å
183K82.2Confident60.9Low99 Ų99100.2 Ų100.243%0.4360%0.596SS.*BIsolated β-bridgetrans-113.2147.4-177.6-61.6-175.9-176.3178.30109.1N181 P192 A193N181-K183 HydrophobicContact CB-CG 4.5Å; N181-K183 PolarHBondContact O-N 3.4Å; K183-P192 HydrophobicContact CB-CB 4.22Å; K183-P192 HydrophobicContact CB-CG 4.32Å; K183-P192 HydrophobicContact CD-CG 4.1Å; K183-A193 CarbonylContact C-O 3.58Å; K183-A193 WeakPolarHBondContact CA-O 3.36Å
184C86.7Confident63.4Low5 Ų598.5 Ų98.53%0.03459%0.588CS.*  trans-61.2134.5172.5-177.80000109.7L186 C187 P192 A193 S205 C207 C210C184-L186 VanDerWaalsContact C-N 3.34Å; C184-L186 PolarHBondContact SG-N 3.45Å; C184-L186 VanDerWaalsContact SG-N 3.44Å; C184-C187 VanDerWaalsContact CB-SG 3.52Å; C184-C187 VanDerWaalsContact SG-SG 3.62Å; C184-P192 VanDerWaalsContact O-CB 3.28Å; C184-P192 WeakPolarHBondContact O-CB 3.27Å; C184-A193 WeakPolarHBondContact CB-O 3.2Å; C184-A193 PolarHBondContact N-O 2.93Å; C184-S205 WeakPolarHBondContact CA-O 3.17Å; C184-C207 HydrophobicContact CB-CB 3.83Å; C184-C207 PolarHBondContact SG-N 3.11Å; C184-C210 WeakPolarHBondContact SG-CB 3.29Å; C184-C210 PolarHBondContact SG-SG 2.91Å
185Q86.6Confident65.7Low117 Ų11790 Ų9055%0.54755%0.55SS..SBendtrans-89.4-1.4-179-64.6172.8-75.600112.9V204 S205Q185-V204 HydrophobicContact CB-CG1 4.31Å; Q185-S205 PolarHBondContact N-O 3.06Å; Q185-S205 PolarHBondContact OE1-OG 3.29Å
186L85.9Confident68.1Low68 Ų6887 Ų8736%0.35653%0.527SS..SBendtrans-127.618.4-173.7-69.7173.3000113.5C184 V204 Y206 C210 C214C184-L186 VanDerWaalsContact C-N 3.34Å; C184-L186 PolarHBondContact SG-N 3.45Å; C184-L186 VanDerWaalsContact SG-N 3.44Å; L186-V204 HydrophobicContact CD1-CG1 3.69Å; L186-V204 HydrophobicContact CG-CG1 3.99Å; L186-Y206 HydrophobicContact CD1-CD1 3.73Å; L186-Y206 HydrophobicContact CD1-CE1 3.3Å; L186-C210 VanDerWaalsContact C-SG 3.5Å; L186-C210 HydrophobicContact CB-CB 4.11Å; L186-C210 PolarHBondContact O-SG 3.45Å; L186-C214 HydrophobicContact CD1-CB 3.87Å
187C87.3Confident70.3Confident31 Ų3183.4 Ų83.421%0.20950%0.502CS..  trans-82.4126.7172.1-73.20000110.3C184 S189 P192 A193 C207C184-C187 VanDerWaalsContact CB-SG 3.52Å; C184-C187 VanDerWaalsContact SG-SG 3.62Å; C187-S189 PolarHBondContact O-N 2.95Å; C187-P192 HydrophobicContact CB-CB 3.91Å; C187-A193 PolarHBondContact SG-N 3.31Å; C187-C207 VanDerWaalsContact SG-SG 3.65Å
188D80.1Confident73Confident174 Ų17480 Ų8093%0.9348%0.479SS*.  trans-75.2-7.9174.5-64.6-31000113.5
189S77.7Confident75.4Confident82 Ų8273 Ų7357%0.57344%0.437SS*.SBendtrans-77.8144.8178.6-59.50000111.7C187 Q191C187-S189 PolarHBondContact O-N 2.95Å; S189-Q191 PolarHBondContact O-N 3.49Å
190S74.5Confident77.7Confident130 Ų13071.6 Ų71.691%0.90942%0.422SS*.SBendtrans-58.1-16.4175.455.10000114.1
191Q77.5Confident79.8Confident164 Ų16471.7 Ų71.777%0.76641%0.407SS*.SBendtrans-120.8103.9167.3-69.7-171.8-6.100110.4S189S189-Q191 PolarHBondContact O-N 3.49Å
192P77.9Confident81.4Confident49 Ų4968.2 Ų68.232%0.31839%0.392SS..PPolyproline II helixtrans-69.1134.8178.710.3-9.8000111.7K183 C184 C187K183-P192 HydrophobicContact CB-CB 4.22Å; K183-P192 HydrophobicContact CB-CG 4.32Å; K183-P192 HydrophobicContact CD-CG 4.1Å; C184-P192 VanDerWaalsContact O-CB 3.28Å; C184-P192 WeakPolarHBondContact O-CB 3.27Å; C187-P192 HydrophobicContact CB-CB 3.91Å
193A82.5Confident82.3Confident45 Ų4571.2 Ų71.237%0.37240%0.4SS..PPolyproline II helixtrans-62.8161.6177.800000111.8K183 C184 C187 A195 C207K183-A193 CarbonylContact C-O 3.58Å; K183-A193 WeakPolarHBondContact CA-O 3.36Å; C184-A193 WeakPolarHBondContact CB-O 3.2Å; C184-A193 PolarHBondContact N-O 2.93Å; C187-A193 PolarHBondContact SG-N 3.31Å; A193-A195 PolarHBondContact O-N 3.36Å; A193-C207 HydrophobicContact CB-CB 3.71Å
194A80.4Confident82.5Confident70 Ų7068 Ų6858%0.57939%0.389SS*.BIsolated β-bridgetrans-64.6134.7176.400000111G182 C207G182-A194 CarbonylContact O-C 3.52Å; G182-A194 VanDerWaalsContact O-CA 3.31Å; G182-A194 WeakPolarHBondContact O-CA 3.19Å; A194-C207 VanDerWaalsContact O-CB 3.27Å; A194-C207 WeakPolarHBondContact O-CB 3.41Å
195A79Confident82.6Confident3 Ų368.4 Ų68.43%0.02539%0.392CS..PPolyproline II helixtrans-75.8126.4175.400000110.1G182 A193 Y206 V229G182-A195 PolarHBondContact O-N 3.01Å; A193-A195 PolarHBondContact O-N 3.36Å; A195-Y206 CarbonylContact C-O 3.6Å; A195-Y206 WeakPolarHBondContact CA-O 3.48Å; A195-V229 HydrophobicContact CB-CG2 4.15Å
196T76.3Confident82.5Confident51 Ų5163.2 Ų63.231%0.31337%0.367SS..  trans-100.5-27.4178.8510000111.6Y206 D208 P228 V229T196-Y206 PolarHBondContact N-O 2.88Å; T196-Y206 PolarHBondContact OG1-O 3.33Å; T196-D208 WeakPolarHBondContact CB-OD1 3.49Å; T196-D208 PolarHBondContact OG1-N 3.09Å; T196-D208 PolarHBondContact OG1-OD1 3.3Å; T196-P228 CarbonylContact O-C 3.19Å; T196-P228 WeakPolarHBondContact O-CA 3.42Å; T196-V229 PolarHBondContact O-N 2.85Å
197V80.1Confident82.6Confident25 Ų2560.3 Ų60.315%0.15235%0.352CS..EExtended strand (participates in β ladder)trans-141.3138.2-172.4179.50000110.6S205 Y206 L211 L226 Q227V197-S205 CarbonylContact O-C 3.6Å; V197-S205 WeakPolarHBondContact O-CA 3.39Å; V197-Y206 PolarHBondContact N-O 3.48Å; V197-Y206 PolarHBondContact O-N 3.37Å; V197-L211 HydrophobicContact CB-CD1 4.47Å; V197-L211 HydrophobicContact CB-CD2 4.18Å; V197-L211 HydrophobicContact CG1-CD1 4.21Å; V197-L211 HydrophobicContact CG1-CD2 4.32Å; V197-L211 HydrophobicContact CG2-CD2 4.06Å; V197-L226 HydrophobicContact CG1-CB 3.64Å; V197-L226 HydrophobicContact CG1-CD1 4.41Å; V197-L226 HydrophobicContact CG1-CD2 3.86Å; V197-L226 HydrophobicContact CG1-CG 4.16Å; V197-Q227 CarbonylContact C-O 3.58Å; V197-Q227 WeakPolarHBondContact CA-O 3.17Å
198R85.1Confident82.3Confident66 Ų6663 Ų6325%0.24936%0.364CS..EExtended strand (participates in β ladder)trans-114.2133.8170.8-179.9176.9-173.682.5-6.9108.9D203 V204 S205 Q227 V229R198-D203 IonicContact CZ-OD1 3.53Å; R198-D203 IonicContact NE-OD1 2.63Å; R198-D203 PolarHBondContact NH1-O 2.91Å; R198-D203 PolarHBondContact NH2-O 3.44Å; R198-D203 IonicContact NH2-OD1 3.06Å; R198-D203 PolarHBondContact NH2-OD1 2.93Å; R198-D203 IonicContact NH2-OD2 2.74Å; R198-D203 PolarHBondContact NH2-OD2 2.91Å; R198-D203 VanDerWaalsContact NH2-OD2 3.09Å; R198-V204 WeakPolarHBondContact CA-O 3.26Å; R198-S205 PolarHBondContact NH1-OG 3.3Å; R198-Q227 PolarHBondContact N-O 3.44Å; R198-Q227 PolarHBondContact O-N 2.97Å; R198-V229 HydrophobicContact CB-CG2 3.71Å
199C85.9Confident82.5Confident0 Ų059.1 Ų59.10%034%0.344CS..EExtended strand (participates in β ladder)trans-89.5122.9169.8178.30000108.9Q201 C202 D203 V204 Y206 H215 H224 L226C199-Q201 VanDerWaalsContact C-N 3.3Å; C199-Q201 PolarHBondContact O-N 3.28Å; C199-C202 HydrophobicContact CB-CB 3.9Å; C199-C202 PolarHBondContact SG-N 3.46Å; C199-C202 VanDerWaalsContact SG-SG 3.61Å; C199-D203 WeakPolarHBondContact O-CA 3.28Å; C199-D203 PolarHBondContact O-N 3.22Å; C199-V204 PolarHBondContact N-O 2.59Å; C199-Y206 HydrophobicContact CB-CE2 3.69Å; C199-H215 PolarHBondContact SG-NE2 3.49Å; C199-H224 VanDerWaalsContact SG-CB 3.52Å; C199-H224 PolarHBondContact SG-ND1 3.06Å; C199-L226 HydrophobicContact CB-CD2 3.71Å
200E82.7Confident83Confident86 Ų8655.8 Ų55.840%0.40232%0.32SS..THydrogen-bonded Turntrans-66.6-33.5180-71-172.4128.200112.4Q225 Q227E200-Q225 PolarHBondContact N-O 2.97Å; E200-Q225 WeakPolarHBondContact OE2-CG 3.38Å; E200-Q227 VanDerWaalsContact CD-CD 3.46Å; E200-Q227 HydrophobicContact CG-CG 4.13Å; E200-Q227 PolarHBondContact OE1-NE2 3.45Å; E200-Q227 PolarHBondContact OE1-OE1 3.4Å; E200-Q227 PolarHBondContact OE2-NE2 2.9Å
201Q86.9Confident83.6Confident91 Ų9151 Ų5143%0.42529%0.285SS..THydrogen-bonded Turntrans-84.3-32.5-176.3-65.579.6-0.300112.6C199 H224 Q225C199-Q201 VanDerWaalsContact C-N 3.3Å; C199-Q201 PolarHBondContact O-N 3.28Å; Q201-H224 HydrophobicContact CB-CB 4.35Å; Q201-H224 HydrophobicContact CG-CB 4.46Å; Q201-Q225 VanDerWaalsContact CD-N 3.32Å
202C86.1Confident83.9Confident44 Ų4451.3 Ų51.330%0.29728%0.279SS..THydrogen-bonded Turntrans-84.2-18.5173.4-63.70000112.4C199 V204 H224C199-C202 HydrophobicContact CB-CB 3.9Å; C199-C202 PolarHBondContact SG-N 3.46Å; C199-C202 VanDerWaalsContact SG-SG 3.61Å; C202-V204 HydrophobicContact CB-CB 4.26Å; C202-V204 HydrophobicContact CB-CG2 4.31Å; C202-V204 WeakPolarHBondContact O-CG2 3.33Å; C202-V204 PolarHBondContact O-N 3.48Å; C202-H224 PolarHBondContact SG-CE1 2.97Å; C202-H224 PolarHBondContact SG-ND1 2.87Å
203D87.6Confident84.2Confident95 Ų9555.2 Ų55.251%0.50830%0.297SS..THydrogen-bonded Turntrans58.122.7-171.8-151.751.7000114.3R198 C199R198-D203 IonicContact CZ-OD1 3.53Å; R198-D203 IonicContact NE-OD1 2.63Å; R198-D203 PolarHBondContact NH1-O 2.91Å; R198-D203 PolarHBondContact NH2-O 3.44Å; R198-D203 IonicContact NH2-OD1 3.06Å; R198-D203 PolarHBondContact NH2-OD1 2.93Å; R198-D203 IonicContact NH2-OD2 2.74Å; R198-D203 PolarHBondContact NH2-OD2 2.91Å; R198-D203 VanDerWaalsContact NH2-OD2 3.09Å; C199-D203 WeakPolarHBondContact O-CA 3.28Å; C199-D203 PolarHBondContact O-N 3.22Å
204V85.8Confident84.3Confident32 Ų3256 Ų5619%0.19430%0.299CS..EExtended strand (participates in β ladder)trans-110.8140.5-176.3174.40000111Q185 L186 R198 C199 C202 Y206Q185-V204 HydrophobicContact CB-CG1 4.31Å; L186-V204 HydrophobicContact CD1-CG1 3.69Å; L186-V204 HydrophobicContact CG-CG1 3.99Å; R198-V204 WeakPolarHBondContact CA-O 3.26Å; C199-V204 PolarHBondContact N-O 2.59Å; C202-V204 HydrophobicContact CB-CB 4.26Å; C202-V204 HydrophobicContact CB-CG2 4.31Å; C202-V204 WeakPolarHBondContact O-CG2 3.33Å; C202-V204 PolarHBondContact O-N 3.48Å; V204-Y206 HydrophobicContact CB-CE1 4.46Å; V204-Y206 HydrophobicContact CB-CE2 3.74Å; V204-Y206 HydrophobicContact CG1-CD1 4.23Å; V204-Y206 HydrophobicContact CG1-CD2 4.19Å; V204-Y206 HydrophobicContact CG1-CE1 3.8Å; V204-Y206 HydrophobicContact CG1-CE2 3.72Å; V204-Y206 HydrophobicContact CG1-CG 4.4Å; V204-Y206 VanDerWaalsContact CG1-CZ 3.5Å; V204-Y206 VanDerWaalsContact O-CD2 3.32Å; V204-Y206 WeakPolarHBondContact O-CD2 3.42Å; V204-Y206 WeakPolarHBondContact O-CE2 3.47Å
205S88.3Confident84.6Confident14 Ų1452.9 Ų52.910%0.09827%0.272CS..EExtended strand (participates in β ladder)trans-102.5124.7175-42.50000110.1C184 Q185 V197 R198C184-S205 WeakPolarHBondContact CA-O 3.17Å; Q185-S205 PolarHBondContact N-O 3.06Å; Q185-S205 PolarHBondContact OE1-OG 3.29Å; V197-S205 CarbonylContact O-C 3.6Å; V197-S205 WeakPolarHBondContact O-CA 3.39Å; R198-S205 PolarHBondContact NH1-OG 3.3Å
206Y85.2Confident84.6Confident7 Ų755.2 Ų55.23%0.02729%0.287CS..EExtended strand (participates in β ladder)trans-113.8141.2-172.9-54.9-96.8000110.4L186 A195 T196 V197 C199 V204 C210 L211 C214 H215L186-Y206 HydrophobicContact CD1-CD1 3.73Å; L186-Y206 HydrophobicContact CD1-CE1 3.3Å; A195-Y206 CarbonylContact C-O 3.6Å; A195-Y206 WeakPolarHBondContact CA-O 3.48Å; T196-Y206 PolarHBondContact N-O 2.88Å; T196-Y206 PolarHBondContact OG1-O 3.33Å; V197-Y206 PolarHBondContact N-O 3.48Å; V197-Y206 PolarHBondContact O-N 3.37Å; C199-Y206 HydrophobicContact CB-CE2 3.69Å; V204-Y206 HydrophobicContact CB-CE1 4.46Å; V204-Y206 HydrophobicContact CB-CE2 3.74Å; V204-Y206 HydrophobicContact CG1-CD1 4.23Å; V204-Y206 HydrophobicContact CG1-CD2 4.19Å; V204-Y206 HydrophobicContact CG1-CE1 3.8Å; V204-Y206 HydrophobicContact CG1-CE2 3.72Å; V204-Y206 HydrophobicContact CG1-CG 4.4Å; V204-Y206 VanDerWaalsContact CG1-CZ 3.5Å; V204-Y206 VanDerWaalsContact O-CD2 3.32Å; V204-Y206 WeakPolarHBondContact O-CD2 3.42Å; V204-Y206 WeakPolarHBondContact O-CE2 3.47Å; Y206-C210 HydrophobicContact CD1-CB 4.38Å; Y206-L211 HydrophobicContact CD1-CD1 4.49Å; Y206-L211 HydrophobicContact CD2-CD1 3.95Å; Y206-L211 HydrophobicContact CG-CB 4.3Å; Y206-L211 HydrophobicContact CG-CD1 3.92Å; Y206-C214 HydrophobicContact CE1-CB 4.25Å; Y206-H215 HydrophobicContact CD1-CB 4.44Å; Y206-H215 HydrophobicContact CE1-CB 3.93Å; Y206-H215 AromaticContact CZ-CD2 3.85Å
207C87.5Confident84.4Confident7 Ų758.9 Ų58.95%0.04731%0.31CS..  trans-76.6167.9154.2660000109.7C184 C187 A193 A194 D209 C210 L211C184-C207 HydrophobicContact CB-CB 3.83Å; C184-C207 PolarHBondContact SG-N 3.11Å; C187-C207 VanDerWaalsContact SG-SG 3.65Å; A193-C207 HydrophobicContact CB-CB 3.71Å; A194-C207 VanDerWaalsContact O-CB 3.27Å; A194-C207 WeakPolarHBondContact O-CB 3.41Å; C207-D209 PolarHBondContact O-N 2.98Å; C207-D209 VanDerWaalsContact O-N 3.14Å; C207-C210 PolarHBondContact O-N 3.29Å; C207-C210 PolarHBondContact SG-N 3.03Å; C207-C210 VanDerWaalsContact SG-N 3.39Å; C207-L211 WeakPolarHBondContact O-CB 3.21Å; C207-L211 PolarHBondContact O-N 3.14Å
208D81.9Confident84.3Confident87 Ų8767.4 Ų67.447%0.46534%0.339SS..Hα-helixtrans-57.1-32-178.5-64.7-24.2000113.2T196 R212T196-D208 WeakPolarHBondContact CB-OD1 3.49Å; T196-D208 PolarHBondContact OG1-N 3.09Å; T196-D208 PolarHBondContact OG1-OD1 3.3Å; D208-R212 WeakPolarHBondContact O-CG 3.27Å; D208-R212 PolarHBondContact O-N 3.35Å; D208-R212 PolarHBondContact O-NE 3.47Å; D208-R212 VanDerWaalsContact O-NE 3.11Å
209D84Confident84.2Confident93 Ų9366.8 Ų66.850%0.49735%0.354SS..Hα-helixtrans-75.2-49.3178.1-66.9-28.4000112.4C207 L211 R212 N213C207-D209 PolarHBondContact O-N 2.98Å; C207-D209 VanDerWaalsContact O-N 3.14Å; D209-L211 VanDerWaalsContact C-N 3.27Å; D209-L211 PolarHBondContact O-N 3.46Å; D209-R212 PolarHBondContact O-N 2.94Å; D209-R212 IonicContact OD1-CZ 3.71Å; D209-R212 IonicContact OD1-NE 2.9Å; D209-R212 IonicContact OD1-NH2 2.92Å; D209-R212 PolarHBondContact OD1-NH2 2.92Å; D209-N213 PolarHBondContact O-N 3.2Å; D209-N213 PolarHBondContact O-ND2 3.46Å
210C88.2Confident84Confident12 Ų1272.4 Ų72.48%0.08139%0.39CS..Hα-helixtrans-67.2-29.1177.4-65.20000112.1C184 L186 Y206 C207 C214C184-C210 WeakPolarHBondContact SG-CB 3.29Å; C184-C210 PolarHBondContact SG-SG 2.91Å; L186-C210 VanDerWaalsContact C-SG 3.5Å; L186-C210 HydrophobicContact CB-CB 4.11Å; L186-C210 PolarHBondContact O-SG 3.45Å; Y206-C210 HydrophobicContact CD1-CB 4.38Å; C207-C210 PolarHBondContact O-N 3.29Å; C207-C210 PolarHBondContact SG-N 3.03Å; C207-C210 VanDerWaalsContact SG-N 3.39Å; C210-C214 WeakPolarHBondContact O-CA 3.45Å; C210-C214 WeakPolarHBondContact O-CB 3.46Å; C210-C214 PolarHBondContact O-N 3.37Å
211L87Confident83.9Confident31 Ų3170.7 Ų70.716%0.16238%0.383CS..Hα-helixtrans-63-47.1173.6-174.671.8000110.4V197 Y206 C207 D209 N213 H215 L226V197-L211 HydrophobicContact CB-CD1 4.47Å; V197-L211 HydrophobicContact CB-CD2 4.18Å; V197-L211 HydrophobicContact CG1-CD1 4.21Å; V197-L211 HydrophobicContact CG1-CD2 4.32Å; V197-L211 HydrophobicContact CG2-CD2 4.06Å; Y206-L211 HydrophobicContact CD1-CD1 4.49Å; Y206-L211 HydrophobicContact CD2-CD1 3.95Å; Y206-L211 HydrophobicContact CG-CB 4.3Å; Y206-L211 HydrophobicContact CG-CD1 3.92Å; C207-L211 WeakPolarHBondContact O-CB 3.21Å; C207-L211 PolarHBondContact O-N 3.14Å; D209-L211 VanDerWaalsContact C-N 3.27Å; D209-L211 PolarHBondContact O-N 3.46Å; L211-N213 PolarHBondContact O-N 3Å; L211-H215 HydrophobicContact CD1-CB 3.92Å; L211-H215 CarbonylContact O-C 3.41Å; L211-H215 WeakPolarHBondContact O-CA 3.22Å; L211-H215 WeakPolarHBondContact O-CB 3.19Å; L211-H215 PolarHBondContact O-N 3Å; L211-L226 HydrophobicContact CD1-CD1 4.05Å; L211-L226 HydrophobicContact CD1-CD2 3.95Å; L211-L226 HydrophobicContact CD2-CD1 4.48Å
212R83.3Confident83.6Confident169 Ų16969 Ų6964%0.63838%0.384SS*.Hα-helixtrans-64.5-39.1178.9-74.5-177.5-77.1-156.93.3112.7D208 D209D208-R212 WeakPolarHBondContact O-CG 3.27Å; D208-R212 PolarHBondContact O-N 3.35Å; D208-R212 PolarHBondContact O-NE 3.47Å; D208-R212 VanDerWaalsContact O-NE 3.11Å; D209-R212 PolarHBondContact O-N 2.94Å; D209-R212 IonicContact OD1-CZ 3.71Å; D209-R212 IonicContact OD1-NE 2.9Å; D209-R212 IonicContact OD1-NH2 2.92Å; D209-R212 PolarHBondContact OD1-NH2 2.92Å
213N84.2Confident83.3Confident131 Ų13175.8 Ų75.870%0.70141%0.409SS*.Hα-helixtrans-84.4-35.8-174.6-66.1-20.9000113.3D209 L211D209-N213 PolarHBondContact O-N 3.2Å; D209-N213 PolarHBondContact O-ND2 3.46Å; L211-N213 PolarHBondContact O-N 3Å
214C85Confident83.2Confident61 Ų6173.7 Ų73.741%0.41240%0.396SS..Hα-helixtrans-113.3-9.6-169.4-510000113.7L186 Y206 C210L186-C214 HydrophobicContact CD1-CB 3.87Å; Y206-C214 HydrophobicContact CE1-CB 4.25Å; C210-C214 WeakPolarHBondContact O-CA 3.45Å; C210-C214 WeakPolarHBondContact O-CB 3.46Å; C210-C214 PolarHBondContact O-N 3.37Å
215H86.1Confident82.9Confident6 Ų677.6 Ų77.63%0.02841%0.412CS..SBendtrans-133.669178.9-163.6-64.7000111.5C199 Y206 L211 T217 L221 H224C199-H215 PolarHBondContact SG-NE2 3.49Å; Y206-H215 HydrophobicContact CD1-CB 4.44Å; Y206-H215 HydrophobicContact CE1-CB 3.93Å; Y206-H215 AromaticContact CZ-CD2 3.85Å; L211-H215 HydrophobicContact CD1-CB 3.92Å; L211-H215 CarbonylContact O-C 3.41Å; L211-H215 WeakPolarHBondContact O-CA 3.22Å; L211-H215 WeakPolarHBondContact O-CB 3.19Å; L211-H215 PolarHBondContact O-N 3Å; H215-T217 PolarHBondContact O-N 2.9Å; H215-L221 PolarHBondContact CE1-O 3.25Å; H215-H224 AromaticContact NE2-CG 3.85Å; H215-H224 AromaticContact NE2-ND1 3.39Å; H215-H224 PolarHBondContact NE2-ND1 2.95Å
216P78.8Confident82.6Confident51 Ų5180.1 Ų80.133%0.33142%0.424SS..  trans-58139.9-178.622.4-33.3000112.3R218 L221P216-R218 HydrophobicContact CB-CG 4.11Å; P216-R218 PolarHBondContact O-N 3.49Å; P216-L221 HydrophobicContact CG-CD1 4.29Å
217T73.7Confident82.1Confident129 Ų12983.8 Ų83.879%0.79144%0.442SS*.SBendtrans-74.613.8176.953.60000113.7H215 A222H215-T217 PolarHBondContact O-N 2.9Å; T217-A222 WeakPolarHBondContact O-CB 3.35Å
218R77.9Confident81.1Confident203 Ų20386.1 Ų86.177%0.76646%0.457SS*.SBendtrans-131.5155.1-17759.8176.1179.31570.1110.5P216P216-R218 HydrophobicContact CB-CG 4.11Å; P216-R218 PolarHBondContact O-N 3.49Å
219G81.4Confident80.3Confident54 Ų5483.8 Ų83.856%0.55745%0.446SS*.SBendtrans76.5-154.5-17900000112.8L221 A222G219-L221 VanDerWaalsContact C-N 3.27Å; G219-L221 PolarHBondContact O-N 3.44Å; G219-A222 VanDerWaalsContact O-CB 3.29Å; G219-A222 WeakPolarHBondContact O-CB 3.42Å; G219-A222 PolarHBondContact O-N 3.47Å; G219-A222 VanDerWaalsContact O-N 3.13Å
220P82.6Confident78.8Confident117 Ų11783.8 Ų83.876%0.7645%0.449SS*.G310 helixtrans-58.5-34.9-172.3-25.134.1000114.3A222P220-A222 VanDerWaalsContact C-N 3.27Å; P220-A222 PolarHBondContact O-N 3.06Å
221L81.3Confident76.6Confident51 Ų5187.3 Ų87.327%0.26747%0.47SS..G310 helixtrans-75.7-11.2-177.7-59177.2000113.5H215 P216 G219 K223 H224H215-L221 PolarHBondContact CE1-O 3.25Å; P216-L221 HydrophobicContact CG-CD1 4.29Å; G219-L221 VanDerWaalsContact C-N 3.27Å; G219-L221 PolarHBondContact O-N 3.44Å; L221-K223 PolarHBondContact O-N 3.49Å; L221-K223 VanDerWaalsContact O-N 3.16Å; L221-H224 WeakPolarHBondContact CD2-CE1 3.46Å; L221-H224 WeakPolarHBondContact O-CB 3.4Å; L221-H224 PolarHBondContact O-N 3.17Å
222A79.6Confident74.3Confident54 Ų5492.5 Ų92.545%0.44649%0.492SS..G310 helixtrans-64.2-20.2179.200000113.3T217 G219 P220 H224T217-A222 WeakPolarHBondContact O-CB 3.35Å; G219-A222 VanDerWaalsContact O-CB 3.29Å; G219-A222 WeakPolarHBondContact O-CB 3.42Å; G219-A222 PolarHBondContact O-N 3.47Å; G219-A222 VanDerWaalsContact O-N 3.13Å; P220-A222 VanDerWaalsContact C-N 3.27Å; P220-A222 PolarHBondContact O-N 3.06Å; A222-H224 VanDerWaalsContact C-N 3.35Å
223K81.2Confident71.9Confident188 Ų18887.4 Ų87.482%0.81749%0.486SS*.G310 helixtrans-86.1-6.3177.4-61.9-177.8-178.8-179.20113.3L221L221-K223 PolarHBondContact O-N 3.49Å; L221-K223 VanDerWaalsContact O-N 3.16Å
224H83.8Confident69.3Low50 Ų5086.1 Ų86.123%0.23149%0.485CS..SBendtrans-73.5144.4-179.1-71.2-167.4000111.4C199 Q201 C202 H215 L221 A222 L226C199-H224 VanDerWaalsContact SG-CB 3.52Å; C199-H224 PolarHBondContact SG-ND1 3.06Å; Q201-H224 HydrophobicContact CB-CB 4.35Å; Q201-H224 HydrophobicContact CG-CB 4.46Å; C202-H224 PolarHBondContact SG-CE1 2.97Å; C202-H224 PolarHBondContact SG-ND1 2.87Å; H215-H224 AromaticContact NE2-CG 3.85Å; H215-H224 AromaticContact NE2-ND1 3.39Å; H215-H224 PolarHBondContact NE2-ND1 2.95Å; L221-H224 WeakPolarHBondContact CD2-CE1 3.46Å; L221-H224 WeakPolarHBondContact O-CB 3.4Å; L221-H224 PolarHBondContact O-N 3.17Å; A222-H224 VanDerWaalsContact C-N 3.35Å; H224-L226 PolarHBondContact O-N 3.39Å
225Q80.9Confident66.9Low115 Ų11590.7 Ų90.754%0.53750%0.504SS..  trans-91.3106.9-178.7-166153.59.600108.9E200 Q201E200-Q225 PolarHBondContact N-O 2.97Å; E200-Q225 WeakPolarHBondContact OE2-CG 3.38Å; Q201-Q225 VanDerWaalsContact CD-N 3.32Å
226L81.3Confident64.2Low66 Ų6695.8 Ų95.835%0.34654%0.535SS..EExtended strand (participates in β ladder)trans-89112177.2-66.1179.6000108.9V197 C199 L211 H224V197-L226 HydrophobicContact CG1-CB 3.64Å; V197-L226 HydrophobicContact CG1-CD1 4.41Å; V197-L226 HydrophobicContact CG1-CD2 3.86Å; V197-L226 HydrophobicContact CG1-CG 4.16Å; C199-L226 HydrophobicContact CB-CD2 3.71Å; L211-L226 HydrophobicContact CD1-CD1 4.05Å; L211-L226 HydrophobicContact CD1-CD2 3.95Å; L211-L226 HydrophobicContact CD2-CD1 4.48Å; H224-L226 PolarHBondContact O-N 3.39Å
227Q73.9Confident62Low85 Ų8596.9 Ų96.940%0.39755%0.549SS..EExtended strand (participates in β ladder)trans-98.7134.8172.8-68-171.1-7.900109.2V197 R198 E200 V229V197-Q227 CarbonylContact C-O 3.58Å; V197-Q227 WeakPolarHBondContact CA-O 3.17Å; R198-Q227 PolarHBondContact N-O 3.44Å; R198-Q227 PolarHBondContact O-N 2.97Å; E200-Q227 VanDerWaalsContact CD-CD 3.46Å; E200-Q227 HydrophobicContact CG-CG 4.13Å; E200-Q227 PolarHBondContact OE1-NE2 3.45Å; E200-Q227 PolarHBondContact OE1-OE1 3.4Å; E200-Q227 PolarHBondContact OE2-NE2 2.9Å; Q227-V229 PolarHBondContact O-N 3.4Å
228P68.1Low60Low55 Ų5594.8 Ų94.836%0.35754%0.536SS..EExtended strand (participates in β ladder)trans-53.6131.1166.9-15.324.9000108.3I15 T196 T230I15-P228 HydrophobicContact CD1-CG 3.51Å; I15-P228 HydrophobicContact CG1-CG 4.44Å; T196-P228 CarbonylContact O-C 3.19Å; T196-P228 WeakPolarHBondContact O-CA 3.42Å; P228-T230 PolarHBondContact O-N 2.94Å
229V64.4Low58.1Low39 Ų3991.3 Ų91.324%0.23654%0.54CS..  trans-67.193.7163.9179.80000104.2A195 T196 R198 Q227 T231A195-V229 HydrophobicContact CB-CG2 4.15Å; T196-V229 PolarHBondContact O-N 2.85Å; R198-V229 HydrophobicContact CB-CG2 3.71Å; Q227-V229 PolarHBondContact O-N 3.4Å; V229-T231 PolarHBondContact O-N 3.22Å
230T52Low56.1Low93 Ų9397.8 Ų97.857%0.57155%0.553SS**  trans-68.278164.147.20000106.2P228 F232P228-T230 PolarHBondContact O-N 2.94Å; T230-F232 HydrophobicContact CG2-CD2 4.47Å; T230-F232 HydrophobicContact CG2-CE2 3.9Å; T230-F232 HydrophobicContact CG2-CZ 4.26Å; T230-F232 PolarHBondContact O-N 3.14Å
231T41.4Very low54.1Low86 Ų8696.8 Ų96.853%0.52855%0.548SS..  trans-62.486.1142.29.20000104V229 A233V229-T231 PolarHBondContact O-N 3.22Å; T231-A233 PolarHBondContact O-N 3.46Å
232F40.5Very low52.4Low140 Ų140100.9 Ų100.961%0.61457%0.57SS**  trans-62.662.9140.4-63.8-80.7000105.9L159 T230 P234L159-F232 HydrophobicContact CD2-CD1 4.49Å; L159-F232 HydrophobicContact CD2-CE1 4.29Å; T230-F232 HydrophobicContact CG2-CD2 4.47Å; T230-F232 HydrophobicContact CG2-CE2 3.9Å; T230-F232 HydrophobicContact CG2-CZ 4.26Å; T230-F232 PolarHBondContact O-N 3.14Å; F232-P234 WeakPolarHBondContact O-CD 3.36Å; F232-P234 VanDerWaalsContact O-N 3.11Å
233A32.1Very low51.2Low61 Ų61101.7 Ų101.750%0.50457%0.572SS.*  trans-53.9120.5151.300000102.1T231 L235T231-A233 PolarHBondContact O-N 3.46Å; A233-L235 PolarHBondContact O-N 3.35Å
234P29.9Very low50.4Low105 Ų10596.1 Ų96.168%0.68256%0.556SS**  trans-61.1102.1173.327.6-30.5000103.3F232 V236F232-P234 WeakPolarHBondContact O-CD 3.36Å; F232-P234 VanDerWaalsContact O-N 3.11Å; P234-V236 HydrophobicContact CB-CG2 4.03Å; P234-V236 PolarHBondContact O-N 2.98Å
235L33.3Very low50.1Low156 Ų15699.5 Ų99.582%0.81757%0.57SS**  trans-61.481.1143.8-68176.1000102.8A233 A237A233-L235 PolarHBondContact O-N 3.35Å; L235-A237 PolarHBondContact O-N 3.41Å
236V31Very low49.9Very low113 Ų11394.6 Ų94.669%0.68555%0.548SS*.  trans-57.374.1138.2-174.80000103.2P234 T238P234-V236 HydrophobicContact CB-CG2 4.03Å; P234-V236 PolarHBondContact O-N 2.98Å; V236-T238 HydrophobicContact CG1-CG2 4.42Å; V236-T238 PolarHBondContact O-N 3.45Å
237A31.6Very low49.5Very low75 Ų7597.9 Ų97.962%0.6257%0.565SS**  trans-66.489.1159.200000102.1L235L235-A237 PolarHBondContact O-N 3.41Å
238T31.4Very low49.6Very low84 Ų8499.5 Ų99.552%0.51557%0.573SS.*  trans-42.3125.414751.10000105V236 K240V236-T238 HydrophobicContact CG1-CG2 4.42Å; V236-T238 PolarHBondContact O-N 3.45Å; T238-K240 PolarHBondContact O-N 3.1Å
239P38.6Very low50.3Low130 Ų13099.3 Ų99.384%0.84457%0.567SS**THydrogen-bonded Turntrans-70.229.3-163.823.4-32.2000114
240K38.9Very low50.9Low191 Ų191101.8 Ų101.883%0.8358%0.584SS**THydrogen-bonded Turntrans-141-3.9-160.1-68.6-168.3175.9-177.70118.2T238T238-K240 PolarHBondContact O-N 3.1Å
241S40.9Very low52.3Low96 Ų96100.9 Ų100.967%0.67159%0.593SS**SBendtrans-135.47.5-167.781.50000121.6
242D46.8Very low54.3Low136 Ų13699.6 Ų99.673%0.72758%0.583SS**SBendtrans-131.865.4160.7-112.6-22.3000109.8K245D242-K245 IonicContact OD1-NZ 3.2Å
243C53.2Low56.4Low71 Ų7197.7 Ų97.748%0.4858%0.578SS.*  trans-60.3144.9176.9-156.80000109.5K245 I253C243-K245 PolarHBondContact O-N 2.91Å; C243-I253 HydrophobicContact CB-CD1 3.88Å; C243-I253 HydrophobicContact CB-CG1 4.13Å; C243-I253 HydrophobicContact CB-CG2 4.44Å; C243-I253 WeakPolarHBondContact SG-CG2 3.44Å
244C65.5Low58.9Low71 Ų7195.6 Ų95.648%0.4856%0.559SS.*  trans-53.795.9177.2-63.80000109.9R152 P254R152-C244 PolarHBondContact NH1-SG 3.47Å; R152-C244 VanDerWaalsContact NH1-SG 3.4Å; C244-P254 WeakPolarHBondContact O-CD 3.34Å
245K76.1Confident61.8Low122 Ų12293 Ų9353%0.5354%0.544SS..  trans-65.2143.5174.5-69.8161.4176.5162.60108.9D242 C243 L247 P250D242-K245 IonicContact OD1-NZ 3.2Å; C243-K245 PolarHBondContact O-N 2.91Å; K245-L247 PolarHBondContact O-N 2.85Å; K245-P250 WeakPolarHBondContact CB-O 3.08Å; K245-P250 WeakPolarHBondContact CD-O 3.42Å; K245-P250 WeakPolarHBondContact CG-O 3.43Å
246C76.9Confident64.6Low11 Ų1187.4 Ų87.47%0.07452%0.515CS..  trans-58.9138.1173174.90000109.3E248 H249 N252 P254 C266 C269C246-E248 VanDerWaalsContact C-N 3.33Å; C246-E248 PolarHBondContact O-N 3.33Å; C246-H249 HydrophobicContact CB-CB 4Å; C246-H249 WeakPolarHBondContact CB-O 3.43Å; C246-H249 CarbonylContact O-C 3.53Å; C246-H249 VanDerWaalsContact O-C 3.3Å; C246-H249 PolarHBondContact O-N 2.88Å; C246-H249 PolarHBondContact SG-N 2.99Å; C246-N252 WeakPolarHBondContact CB-O 3.34Å; C246-N252 PolarHBondContact N-O 2.97Å; C246-P254 HydrophobicContact CB-CG 4.1Å; C246-C266 HydrophobicContact CB-CB 3.97Å; C246-C269 PolarHBondContact SG-SG 2.92Å
247L74Confident67.4Low135 Ų13583.8 Ų83.871%0.70749%0.489SS*.SBendtrans-64.4-38.6-177.5-67.6170.9000112Y110 K245Y110-L247 HydrophobicContact CE1-CD1 3.63Å; K245-L247 PolarHBondContact O-N 2.85Å
248E75.6Confident70.2Confident120 Ų12080.2 Ų80.256%0.56146%0.459SS*.SBendtrans-85.9-28.6178.2-63.4-178.8166.900112.5C246 P250C246-E248 VanDerWaalsContact C-N 3.33Å; C246-E248 PolarHBondContact O-N 3.33Å; E248-P250 WeakPolarHBondContact O-CD 3.1Å
249H82.7Confident72.9Confident51 Ų5179.1 Ų79.124%0.23645%0.45CS..  trans-124.378.2-176-54.6105.7000110.6C246 G251 N252 C266 L268 C269C246-H249 HydrophobicContact CB-CB 4Å; C246-H249 WeakPolarHBondContact CB-O 3.43Å; C246-H249 CarbonylContact O-C 3.53Å; C246-H249 VanDerWaalsContact O-C 3.3Å; C246-H249 PolarHBondContact O-N 2.88Å; C246-H249 PolarHBondContact SG-N 2.99Å; H249-G251 PolarHBondContact O-N 2.93Å; H249-N252 HydrophobicContact CB-CB 4.13Å; H249-N252 PolarHBondContact O-N 3.48Å; H249-C266 PolarHBondContact ND1-SG 3.41Å; H249-L268 HydrophobicContact CB-CD1 4.31Å; H249-C269 VanDerWaalsContact CE1-SG 3.57Å; H249-C269 PolarHBondContact ND1-SG 2.87Å
250P77.5Confident75.2Confident90 Ų9081.7 Ų81.758%0.58444%0.443SS*.THydrogen-bonded Turntrans-57.2-21-171.8-26.834.3000115.5K245 E248K245-P250 WeakPolarHBondContact CB-O 3.08Å; K245-P250 WeakPolarHBondContact CD-O 3.42Å; K245-P250 WeakPolarHBondContact CG-O 3.43Å; E248-P250 WeakPolarHBondContact O-CD 3.1Å
251G80.1Confident77.2Confident74 Ų7473.1 Ų73.176%0.76341%0.407SS*.THydrogen-bonded Turntrans-84.5-9.217600000115H249H249-G251 PolarHBondContact O-N 2.93Å
252N83.3Confident79.3Confident60 Ų6074.7 Ų74.732%0.32140%0.398SS..SBendtrans-113.6143.2-173.3-77.2-89000112C246 H249 C266 L268C246-N252 WeakPolarHBondContact CB-O 3.34Å; C246-N252 PolarHBondContact N-O 2.97Å; H249-N252 HydrophobicContact CB-CB 4.13Å; H249-N252 PolarHBondContact O-N 3.48Å; N252-C266 HydrophobicContact CB-CB 3.77Å; N252-L268 WeakPolarHBondContact ND2-CD1 3.32Å
253I84.3Confident81.1Confident99 Ų9969 Ų6951%0.50837%0.368SS..  trans-94127.3176.7-60.5170.8000108.2C243 S255C243-I253 HydrophobicContact CB-CD1 3.88Å; C243-I253 HydrophobicContact CB-CG1 4.13Å; C243-I253 HydrophobicContact CB-CG2 4.44Å; C243-I253 WeakPolarHBondContact SG-CG2 3.44Å; I253-S255 PolarHBondContact O-N 3.26Å
254P86.2Confident82.7Confident17 Ų1767.4 Ų67.411%0.1136%0.361CS..  trans-59.9118.6170.9-21.934.5000111.1C244 C246 A264 A265 L284C244-P254 WeakPolarHBondContact O-CD 3.34Å; C246-P254 HydrophobicContact CB-CG 4.1Å; P254-A264 HydrophobicContact CB-CB 3.74Å; P254-A264 HydrophobicContact CG-CB 4.45Å; P254-A265 CarbonylContact C-O 3.2Å; P254-A265 VanDerWaalsContact CA-O 3.23Å; P254-A265 WeakPolarHBondContact CA-O 3.45Å; P254-A265 WeakPolarHBondContact CB-O 3.44Å; P254-L284 WeakPolarHBondContact O-CD2 3.17Å
255S89.7Confident83.8Confident51 Ų5164.1 Ų64.136%0.35734%0.338SS..  trans-113-6.5174.748.80000112.4I253 A265 N267 L284I253-S255 PolarHBondContact O-N 3.26Å; S255-A265 PolarHBondContact N-O 3.47Å; S255-N267 PolarHBondContact OG-OD1 3.13Å; S255-L284 WeakPolarHBondContact O-CB 3.34Å; S255-L284 PolarHBondContact O-N 2.64Å
256L91.9Very high84.4Confident39 Ų3958.3 Ų58.320%0.20431%0.313CS..EExtended strand (participates in β ladder)trans-123.2158.4-172.6-64.3176.2000110.4A264 A265 N267 V270 V281 Q282L256-A264 CarbonylContact O-C 3.55Å; L256-A264 WeakPolarHBondContact O-CA 3.25Å; L256-A265 HydrophobicContact CB-CB 4.43Å; L256-A265 WeakPolarHBondContact CB-O 3.47Å; L256-A265 PolarHBondContact N-O 2.89Å; L256-A265 PolarHBondContact O-N 3.28Å; L256-N267 WeakPolarHBondContact CD1-OD1 3.37Å; L256-V270 HydrophobicContact CD1-CB 4.43Å; L256-V270 HydrophobicContact CD1-CG2 3.78Å; L256-V281 HydrophobicContact CB-CG1 3.48Å; L256-V281 VanDerWaalsContact CB-CG1 3.48Å; L256-V281 HydrophobicContact CD1-CG1 4.06Å; L256-V281 HydrophobicContact CD2-CG1 4.2Å; L256-V281 HydrophobicContact CG-CG1 4.11Å; L256-Q282 CarbonylContact C-O 3.46Å; L256-Q282 WeakPolarHBondContact CA-O 3.32Å
257Y90.5Very high85Confident37 Ų3762 Ų6215%0.14533%0.332CS..EExtended strand (participates in β ladder)trans-131.1117.4176.6-172.9-95.6000109.5L259 R262 V281 Q282 L284 V287Y257-L259 HydrophobicContact CD1-CD2 3.89Å; Y257-L259 HydrophobicContact CE1-CD2 4.08Å; Y257-L259 PolarHBondContact O-N 3.43Å; Y257-R262 VanDerWaalsContact CZ-C 3.42Å; Y257-R262 VanDerWaalsContact OH-CA 3.23Å; Y257-R262 WeakPolarHBondContact OH-CA 3.45Å; Y257-R262 WeakPolarHBondContact OH-CB 3.05Å; Y257-R262 PolarHBondContact OH-O 3.27Å; Y257-V281 WeakPolarHBondContact O-CA 3.33Å; Y257-Q282 PolarHBondContact N-O 3.2Å; Y257-Q282 PolarHBondContact O-N 3.09Å; Y257-L284 HydrophobicContact CD2-CD1 3.84Å; Y257-L284 HydrophobicContact CG-CD1 4.31Å; Y257-V287 HydrophobicContact CD1-CB 4.38Å; Y257-V287 HydrophobicContact CD1-CG1 3.75Å; Y257-V287 HydrophobicContact CD1-CG2 4.23Å; Y257-V287 HydrophobicContact CE1-CG1 4.07Å; Y257-V287 HydrophobicContact CG-CB 4.45Å; Y257-V287 HydrophobicContact CG-CG1 4.11Å; Y257-V287 HydrophobicContact CG-CG2 4.49Å
258C89.8Confident85.8Confident0 Ų058.4 Ų58.40%031%0.313CS..EExtended strand (participates in β ladder)trans-77.5116.9176.4178.80000109C261 R262 T263 H276 H279 V281C258-C261 HydrophobicContact CB-CB 4.08Å; C258-C261 VanDerWaalsContact SG-CB 3.55Å; C258-C261 PolarHBondContact SG-N 3.37Å; C258-R262 VanDerWaalsContact O-CA 3.24Å; C258-R262 WeakPolarHBondContact O-CA 3.45Å; C258-R262 PolarHBondContact O-N 2.91Å; C258-T263 PolarHBondContact N-O 2.93Å; C258-T263 PolarHBondContact O-N 3.17Å; C258-H276 WeakPolarHBondContact CB-ND1 3.46Å; C258-H276 PolarHBondContact SG-ND1 3.41Å; C258-H279 WeakPolarHBondContact SG-CB 3.4Å; C258-V281 HydrophobicContact CB-CG2 4.23Å
259L88.1Confident86.3Confident61 Ų6152.9 Ų52.932%0.31929%0.288SS..THydrogen-bonded Turntrans-71.5-33.7-179.7-66.5177.1000112Y257 D280 Q282Y257-L259 HydrophobicContact CD1-CD2 3.89Å; Y257-L259 HydrophobicContact CE1-CD2 4.08Å; Y257-L259 PolarHBondContact O-N 3.43Å; L259-D280 WeakPolarHBondContact CD1-OD2 3.43Å; L259-D280 PolarHBondContact N-O 3.41Å; L259-Q282 HydrophobicContact CD1-CG 3.93Å; L259-Q282 HydrophobicContact CG-CG 4.46Å
260R86.8Confident86.4Confident183 Ų18352.3 Ų52.369%0.69129%0.288SS*.THydrogen-bonded Turntrans-68.1-45.2176.5-165.4-176.5-171.9175.56.6112.1H279R260-H279 HydrophobicContact CB-CB 4.17Å; R260-H279 WeakPolarHBondContact CD-CD2 3.21Å; R260-H279 WeakPolarHBondContact CD-NE2 3.33Å; R260-H279 PolarHBondContact NH1-CD2 3.2Å; R260-H279 VanDerWaalsContact NH1-CD2 3.34Å; R260-H279 PolarHBondContact NH1-NE2 3.12Å; R260-H279 VanDerWaalsContact NH1-NE2 3.2Å
261C82.4Confident86.8Confident11 Ų1153.3 Ų53.37%0.07429%0.285CS..THydrogen-bonded Turntrans-95.65.2-178.2-560000113.2P109 C258 T263 H276 H279P109-C261 WeakPolarHBondContact CD-O 3.36Å; P109-C261 VanDerWaalsContact CG-C 3.42Å; P109-C261 HydrophobicContact CG-CB 4.1Å; P109-C261 WeakPolarHBondContact CG-O 3.33Å; C258-C261 HydrophobicContact CB-CB 4.08Å; C258-C261 VanDerWaalsContact SG-CB 3.55Å; C258-C261 PolarHBondContact SG-N 3.37Å; C261-T263 HydrophobicContact CB-CG2 3.91Å; C261-T263 WeakPolarHBondContact O-CB 3.24Å; C261-T263 PolarHBondContact O-N 3.48Å; C261-H276 VanDerWaalsContact SG-CE1 3.57Å; C261-H279 PolarHBondContact SG-CE1 3.42Å; C261-H279 PolarHBondContact SG-ND1 2.97Å
262R84Confident86.3Confident129 Ų12958.4 Ų58.449%0.48729%0.288SS..THydrogen-bonded Turntrans4140.7179.7-60.7-176.8173179.8-4.6115.1A107 Y257 C258A107-R262 WeakPolarHBondContact O-CD 3.21Å; Y257-R262 VanDerWaalsContact CZ-C 3.42Å; Y257-R262 VanDerWaalsContact OH-CA 3.23Å; Y257-R262 WeakPolarHBondContact OH-CA 3.45Å; Y257-R262 WeakPolarHBondContact OH-CB 3.05Å; Y257-R262 PolarHBondContact OH-O 3.27Å; C258-R262 VanDerWaalsContact O-CA 3.24Å; C258-R262 WeakPolarHBondContact O-CA 3.45Å; C258-R262 PolarHBondContact O-N 2.91Å
263T84.2Confident85.8Confident16 Ų1663.6 Ų63.610%0.09832%0.316CS..EExtended strand (participates in β ladder)trans-141.7153.9-174.8-166.70000112.1Y110 C258 C261Y110-T263 PolarHBondContact OH-OG1 3.1Å; C258-T263 PolarHBondContact N-O 2.93Å; C258-T263 PolarHBondContact O-N 3.17Å; C261-T263 HydrophobicContact CB-CG2 3.91Å; C261-T263 WeakPolarHBondContact O-CB 3.24Å; C261-T263 PolarHBondContact O-N 3.48Å
264A87.9Confident85.4Confident39 Ų3959.4 Ų59.432%0.32230%0.297SS..EExtended strand (participates in β ladder)trans-77126.4178.100000110.3P254 L256 L284P254-A264 HydrophobicContact CB-CB 3.74Å; P254-A264 HydrophobicContact CG-CB 4.45Å; L256-A264 CarbonylContact O-C 3.55Å; L256-A264 WeakPolarHBondContact O-CA 3.25Å; A264-L284 HydrophobicContact CB-CD1 3.92Å; A264-L284 HydrophobicContact CB-CD2 4.19Å
265A87.1Confident85.2Confident1 Ų161 Ų611%0.00832%0.316CS..EExtended strand (participates in β ladder)trans-113.8146.4179.700000110.2P254 S255 L256 C269 V270P254-A265 CarbonylContact C-O 3.2Å; P254-A265 VanDerWaalsContact CA-O 3.23Å; P254-A265 WeakPolarHBondContact CA-O 3.45Å; P254-A265 WeakPolarHBondContact CB-O 3.44Å; S255-A265 PolarHBondContact N-O 3.47Å; L256-A265 HydrophobicContact CB-CB 4.43Å; L256-A265 WeakPolarHBondContact CB-O 3.47Å; L256-A265 PolarHBondContact N-O 2.89Å; L256-A265 PolarHBondContact O-N 3.28Å; A265-C269 HydrophobicContact CB-CB 3.84Å; A265-V270 HydrophobicContact CB-CG2 4.19Å
266C90.4Very high85Confident0 Ų059.4 Ų59.40%030%0.303CS..  trans-89173.5165.873.60000110.4C246 H249 N252 L268 C269C246-C266 HydrophobicContact CB-CB 3.97Å; H249-C266 PolarHBondContact ND1-SG 3.41Å; N252-C266 HydrophobicContact CB-CB 3.77Å; C266-L268 PolarHBondContact O-N 2.85Å; C266-C269 WeakPolarHBondContact O-CB 3.35Å; C266-C269 PolarHBondContact O-N 3.07Å; C266-C269 VanDerWaalsContact O-N 3.14Å
267N88.8Confident84.7Confident89 Ų8959.7 Ų59.748%0.47631%0.308SS..THydrogen-bonded Turntrans-62.1-30.4-178.8-63.3-32.3000112.9S255 L256 V270 Q271S255-N267 PolarHBondContact OG-OD1 3.13Å; L256-N267 WeakPolarHBondContact CD1-OD1 3.37Å; N267-V270 PolarHBondContact O-N 2.93Å; N267-Q271 WeakPolarHBondContact O-CG 3.23Å; N267-Q271 PolarHBondContact O-N 3.07Å
268L89.7Confident84.5Confident60 Ų6064.7 Ų64.731%0.31434%0.337SS..G310 helixtrans-69.7-32.6176.7-61.7-176.7000112.7H249 N252 C266 V270 Q271H249-L268 HydrophobicContact CB-CD1 4.31Å; N252-L268 WeakPolarHBondContact ND2-CD1 3.32Å; C266-L268 PolarHBondContact O-N 2.85Å; L268-V270 PolarHBondContact O-N 2.84Å; L268-Q271 VanDerWaalsContact CD2-OE1 3.31Å; L268-Q271 PolarHBondContact O-N 2.9Å
269C86.6Confident84.5Confident3 Ų366.9 Ų66.92%0.0235%0.347CS..G310 helixtrans-63.7-20.9177.4-76.90000113.7C246 H249 A265 C266 G274 G275 H276C246-C269 PolarHBondContact SG-SG 2.92Å; H249-C269 VanDerWaalsContact CE1-SG 3.57Å; H249-C269 PolarHBondContact ND1-SG 2.87Å; A265-C269 HydrophobicContact CB-CB 3.84Å; C266-C269 WeakPolarHBondContact O-CB 3.35Å; C266-C269 PolarHBondContact O-N 3.07Å; C266-C269 VanDerWaalsContact O-N 3.14Å; C269-G274 CarbonylContact O-C 3.6Å; C269-G274 VanDerWaalsContact O-CA 3.31Å; C269-G274 WeakPolarHBondContact O-CA 3.33Å; C269-G275 PolarHBondContact O-N 3.01Å; C269-H276 WeakPolarHBondContact O-CA 3.22Å; C269-H276 WeakPolarHBondContact O-CB 3.5Å; C269-H276 PolarHBondContact O-N 2.93Å
270V85.9Confident84.5Confident40 Ų4069 Ų6924%0.24236%0.359CS..G310 helixtrans-106.3-6.1-176.6-167.60000111.8L256 A265 N267 L268 H276 C277 V281L256-V270 HydrophobicContact CD1-CB 4.43Å; L256-V270 HydrophobicContact CD1-CG2 3.78Å; A265-V270 HydrophobicContact CB-CG2 4.19Å; N267-V270 PolarHBondContact O-N 2.93Å; L268-V270 PolarHBondContact O-N 2.84Å; V270-H276 HydrophobicContact CG2-CB 4.19Å; V270-C277 WeakPolarHBondContact O-CA 3.16Å; V270-V281 HydrophobicContact CG1-CG2 4.19Å; V270-V281 HydrophobicContact CG2-CG1 4.24Å; V270-V281 HydrophobicContact CG2-CG2 4.11Å
271Q85.3Confident84.7Confident111 Ų11161.8 Ų61.852%0.51934%0.335SS..SBendtrans-72166.9173-74.4173.84.400111N267 L268 D273 G274 C277N267-Q271 WeakPolarHBondContact O-CG 3.23Å; N267-Q271 PolarHBondContact O-N 3.07Å; L268-Q271 VanDerWaalsContact CD2-OE1 3.31Å; L268-Q271 PolarHBondContact O-N 2.9Å; Q271-D273 PolarHBondContact O-N 2.76Å; Q271-G274 PolarHBondContact O-N 3.29Å; Q271-C277 WeakPolarHBondContact O-CB 3.19Å
272H68.6Low85.1Confident180 Ų18065 Ų6583%0.83335%0.349SS*.THydrogen-bonded Turntrans-51.9-23.3-167.6-75.7-73.4000116.1
273D74Confident85.5Confident170 Ų17061.4 Ų61.491%0.90934%0.344SS*.THydrogen-bonded Turntrans-104.41.1178.7-59.4-32.9000114.3Q271Q271-D273 PolarHBondContact O-N 2.76Å
274G75.8Confident85.7Confident10 Ų1063.1 Ų63.110%0.10335%0.352CS..SBendtrans-90.1151.3-176.800000113.5C269 Q271 H276 C277C269-G274 CarbonylContact O-C 3.6Å; C269-G274 VanDerWaalsContact O-CA 3.31Å; C269-G274 WeakPolarHBondContact O-CA 3.33Å; Q271-G274 PolarHBondContact O-N 3.29Å; G274-H276 PolarHBondContact O-N 3.2Å; G274-C277 WeakPolarHBondContact O-CB 3.26Å; G274-C277 PolarHBondContact O-N 3.07Å; G274-C277 VanDerWaalsContact O-N 3.13Å
275G81.4Confident85.7Confident50 Ų5068.1 Ų68.152%0.51537%0.373SS..THydrogen-bonded Turntrans-62.1-2.5-177.700000116.3C269 H279C269-G275 PolarHBondContact O-N 3.01Å; G275-H279 PolarHBondContact O-CE1 3.05Å
276H85.8Confident85.8Confident19 Ų1970.2 Ų70.29%0.08839%0.387CS..THydrogen-bonded Turntrans-125.615.4-179.7-55.2-87.5000113.6C258 C261 C269 V270 G274 N278 H279C258-H276 WeakPolarHBondContact CB-ND1 3.46Å; C258-H276 PolarHBondContact SG-ND1 3.41Å; C261-H276 VanDerWaalsContact SG-CE1 3.57Å; C269-H276 WeakPolarHBondContact O-CA 3.22Å; C269-H276 WeakPolarHBondContact O-CB 3.5Å; C269-H276 PolarHBondContact O-N 2.93Å; V270-H276 HydrophobicContact CG2-CB 4.19Å; G274-H276 PolarHBondContact O-N 3.2Å; H276-N278 VanDerWaalsContact C-N 3.26Å; H276-N278 PolarHBondContact O-N 3.02Å; H276-H279 AromaticContact ND1-ND1 3.73Å; H276-H279 PolarHBondContact O-N 2.84Å
277C85.3Confident85.7Confident45 Ų4570.6 Ų70.630%0.30439%0.39SS..THydrogen-bonded Turntrans-60.2-29.2-173.866.30000115.4V270 Q271 G274V270-C277 WeakPolarHBondContact O-CA 3.16Å; Q271-C277 WeakPolarHBondContact O-CB 3.19Å; G274-C277 WeakPolarHBondContact O-CB 3.26Å; G274-C277 PolarHBondContact O-N 3.07Å; G274-C277 VanDerWaalsContact O-N 3.13Å
278N85.9Confident85.5Confident142 Ų14268.5 Ų68.576%0.75938%0.382SS*.THydrogen-bonded Turntrans-115.520.5-179-66.3-38.5000112.7H276H276-N278 VanDerWaalsContact C-N 3.26Å; H276-N278 PolarHBondContact O-N 3.02Å
279H89.8Confident85.3Confident45 Ų4572.8 Ų72.821%0.20840%0.398CS..SBendtrans-101.3152.8179.5-64.6166.8000110.9C258 R260 C261 G275 H276 V281C258-H279 WeakPolarHBondContact SG-CB 3.4Å; R260-H279 HydrophobicContact CB-CB 4.17Å; R260-H279 WeakPolarHBondContact CD-CD2 3.21Å; R260-H279 WeakPolarHBondContact CD-NE2 3.33Å; R260-H279 PolarHBondContact NH1-CD2 3.2Å; R260-H279 VanDerWaalsContact NH1-CD2 3.34Å; R260-H279 PolarHBondContact NH1-NE2 3.12Å; R260-H279 VanDerWaalsContact NH1-NE2 3.2Å; C261-H279 PolarHBondContact SG-CE1 3.42Å; C261-H279 PolarHBondContact SG-ND1 2.97Å; G275-H279 PolarHBondContact O-CE1 3.05Å; H276-H279 AromaticContact ND1-ND1 3.73Å; H276-H279 PolarHBondContact O-N 2.84Å; H279-V281 HydrophobicContact CB-CG2 4.44Å; H279-V281 WeakPolarHBondContact O-CG2 3.31Å; H279-V281 PolarHBondContact O-N 3.03Å
280D89.3Confident85.2Confident105 Ų10576.9 Ų76.956%0.56142%0.42SS*.  trans-70.7122.3170.1-172.99.4000109.2L259L259-D280 WeakPolarHBondContact CD1-OD2 3.43Å; L259-D280 PolarHBondContact N-O 3.41Å
281V90.1Very high85Confident33 Ų3379.6 Ų79.620%0.243%0.43CS..EExtended strand (participates in β ladder)trans-133.1130-171.2-178.90000109.3L256 Y257 C258 V270 H279L256-V281 HydrophobicContact CB-CG1 3.48Å; L256-V281 VanDerWaalsContact CB-CG1 3.48Å; L256-V281 HydrophobicContact CD1-CG1 4.06Å; L256-V281 HydrophobicContact CD2-CG1 4.2Å; L256-V281 HydrophobicContact CG-CG1 4.11Å; Y257-V281 WeakPolarHBondContact O-CA 3.33Å; C258-V281 HydrophobicContact CB-CG2 4.23Å; V270-V281 HydrophobicContact CG1-CG2 4.19Å; V270-V281 HydrophobicContact CG2-CG1 4.24Å; V270-V281 HydrophobicContact CG2-CG2 4.11Å; H279-V281 HydrophobicContact CB-CG2 4.44Å; H279-V281 WeakPolarHBondContact O-CG2 3.31Å; H279-V281 PolarHBondContact O-N 3.03Å
282Q91.5Very high84.8Confident77 Ų7781 Ų8136%0.3643%0.434SS..EExtended strand (participates in β ladder)trans-118.8167177.6-65.4-17110.700111.5L256 Y257 L259 L284 V287L256-Q282 CarbonylContact C-O 3.46Å; L256-Q282 WeakPolarHBondContact CA-O 3.32Å; Y257-Q282 PolarHBondContact N-O 3.2Å; Y257-Q282 PolarHBondContact O-N 3.09Å; L259-Q282 HydrophobicContact CD1-CG 3.93Å; L259-Q282 HydrophobicContact CG-CG 4.46Å; Q282-L284 PolarHBondContact O-N 2.84Å; Q282-V287 HydrophobicContact CB-CG2 3.63Å
283S92.2Very high85.6Confident55 Ų5575.8 Ų75.839%0.38542%0.415SS..EExtended strand (participates in β ladder)trans-61.6127174.1172.60000110.4L285 S286 V287S283-L285 PolarHBondContact O-N 2.75Å; S283-S286 WeakPolarHBondContact CB-OG 3.21Å; S283-S286 PolarHBondContact O-N 2.84Å; S283-S286 PolarHBondContact O-OG 3.26Å; S283-V287 PolarHBondContact O-N 2.79Å
284L88.9Confident85.9Confident51 Ų5172.4 Ų72.427%0.26739%0.394SS..Hα-helixtrans-56.1-36.8-179.4-17765.3000111.9P254 S255 Y257 A264 Q282 C288P254-L284 WeakPolarHBondContact O-CD2 3.17Å; S255-L284 WeakPolarHBondContact O-CB 3.34Å; S255-L284 PolarHBondContact O-N 2.64Å; Y257-L284 HydrophobicContact CD2-CD1 3.84Å; Y257-L284 HydrophobicContact CG-CD1 4.31Å; A264-L284 HydrophobicContact CB-CD1 3.92Å; A264-L284 HydrophobicContact CB-CD2 4.19Å; Q282-L284 PolarHBondContact O-N 2.84Å; L284-C288 WeakPolarHBondContact O-CB 3.38Å; L284-C288 PolarHBondContact O-N 3.04Å
285L88.3Confident86.2Confident144 Ų14476.7 Ų76.775%0.75441%0.414SS*.Hα-helixtrans-67.8-40.1178-68.2175.3000112.1S283 K289S283-L285 PolarHBondContact O-N 2.75Å; L285-K289 WeakPolarHBondContact O-CB 3.39Å; L285-K289 PolarHBondContact O-N 3.21Å
286S87.9Confident86.2Confident45 Ų4578 Ų7832%0.31542%0.415SS..Hα-helixtrans-66.9-47.2178.369.60000111.6S283 C288 K289 N290S283-S286 WeakPolarHBondContact CB-OG 3.21Å; S283-S286 PolarHBondContact O-N 2.84Å; S283-S286 PolarHBondContact O-OG 3.26Å; S286-C288 VanDerWaalsContact C-N 3.33Å; S286-C288 PolarHBondContact O-N 2.98Å; S286-K289 PolarHBondContact O-N 3.38Å; S286-N290 VanDerWaalsContact O-CG 3.32Å; S286-N290 PolarHBondContact O-N 3.12Å; S286-N290 PolarHBondContact O-OD1 2.94Å
287V87.9Confident86Confident8 Ų883.7 Ų83.75%0.04844%0.441CS..Hα-helixtrans-61.6-43.6176.2177.50000110.3Y257 Q282 S283 K289 N290 Q291Y257-V287 HydrophobicContact CD1-CB 4.38Å; Y257-V287 HydrophobicContact CD1-CG1 3.75Å; Y257-V287 HydrophobicContact CD1-CG2 4.23Å; Y257-V287 HydrophobicContact CE1-CG1 4.07Å; Y257-V287 HydrophobicContact CG-CB 4.45Å; Y257-V287 HydrophobicContact CG-CG1 4.11Å; Y257-V287 HydrophobicContact CG-CG2 4.49Å; Q282-V287 HydrophobicContact CB-CG2 3.63Å; S283-V287 PolarHBondContact O-N 2.79Å; V287-K289 VanDerWaalsContact C-N 3.33Å; V287-K289 PolarHBondContact O-N 3.06Å; V287-N290 PolarHBondContact O-N 3.35Å; V287-Q291 HydrophobicContact CG1-CG 4.17Å; V287-Q291 WeakPolarHBondContact O-CB 3.42Å; V287-Q291 WeakPolarHBondContact O-CG 3.37Å; V287-Q291 PolarHBondContact O-N 2.75Å
288C86.4Confident85.9Confident46 Ų4685.3 Ų85.331%0.31145%0.45SS..Hα-helixtrans-61.3-40.2176.4-1770000112.4L284 S286 K292L284-C288 WeakPolarHBondContact O-CB 3.38Å; L284-C288 PolarHBondContact O-N 3.04Å; S286-C288 VanDerWaalsContact C-N 3.33Å; S286-C288 PolarHBondContact O-N 2.98Å; C288-K292 VanDerWaalsContact O-CB 3.31Å; C288-K292 WeakPolarHBondContact O-CB 3.18Å; C288-K292 WeakPolarHBondContact O-CG 3.36Å; C288-K292 PolarHBondContact O-N 3.1Å; C288-K292 WeakPolarHBondContact SG-CE 3.29Å; C288-K292 PolarHBondContact SG-NZ 2.91Å
289K85.4Confident85.7Confident149 Ų14983.4 Ų83.465%0.64844%0.44SS*.Hα-helixtrans-64.7-48.2176.5-172.8-178.5177.6-174.30110.9L285 S286 V287 K292 T293L285-K289 WeakPolarHBondContact O-CB 3.39Å; L285-K289 PolarHBondContact O-N 3.21Å; S286-K289 PolarHBondContact O-N 3.38Å; V287-K289 VanDerWaalsContact C-N 3.33Å; V287-K289 PolarHBondContact O-N 3.06Å; K289-K292 PolarHBondContact O-N 3.08Å; K289-T293 PolarHBondContact O-N 3.45Å; K289-T293 PolarHBondContact O-OG1 3.44Å
290N84.2Confident85.5Confident90 Ų9087.5 Ų87.548%0.48146%0.458SS..Hα-helixtrans-63.7-46.5-179.4-67.4-5.3000111.8S286 V287 K292 T293 E294S286-N290 VanDerWaalsContact O-CG 3.32Å; S286-N290 PolarHBondContact O-N 3.12Å; S286-N290 PolarHBondContact O-OD1 2.94Å; V287-N290 PolarHBondContact O-N 3.35Å; N290-K292 VanDerWaalsContact C-N 3.31Å; N290-K292 PolarHBondContact O-N 3.02Å; N290-T293 WeakPolarHBondContact CA-OG1 3.48Å; N290-T293 PolarHBondContact O-N 3.33Å; N290-T293 PolarHBondContact O-OG1 2.83Å; N290-E294 WeakPolarHBondContact O-CB 3.38Å; N290-E294 PolarHBondContact O-N 2.83Å
291Q82Confident85.1Confident97 Ų9785.4 Ų85.445%0.45345%0.452SS..Hα-helixtrans-63.3-36176.2-74.3-179.1-14.200112.1V287 L295V287-Q291 HydrophobicContact CG1-CG 4.17Å; V287-Q291 WeakPolarHBondContact O-CB 3.42Å; V287-Q291 WeakPolarHBondContact O-CG 3.37Å; V287-Q291 PolarHBondContact O-N 2.75Å; Q291-L295 WeakPolarHBondContact O-CB 3.28Å; Q291-L295 PolarHBondContact O-N 3.18Å
292K81.2Confident84.8Confident139 Ų13988.8 Ų88.860%0.60447%0.468SS*.Hα-helixtrans-67.1-39.6174.3-80172.7177.8168.80112.5C288 K289 N290 S296C288-K292 VanDerWaalsContact O-CB 3.31Å; C288-K292 WeakPolarHBondContact O-CB 3.18Å; C288-K292 WeakPolarHBondContact O-CG 3.36Å; C288-K292 PolarHBondContact O-N 3.1Å; C288-K292 WeakPolarHBondContact SG-CE 3.29Å; C288-K292 PolarHBondContact SG-NZ 2.91Å; K289-K292 PolarHBondContact O-N 3.08Å; N290-K292 VanDerWaalsContact C-N 3.31Å; N290-K292 PolarHBondContact O-N 3.02Å; K292-S296 WeakPolarHBondContact O-CB 3.46Å; K292-S296 PolarHBondContact O-N 2.88Å
293T84.9Confident84.5Confident72 Ų7288.4 Ų88.444%0.44248%0.475SS..Hα-helixtrans-67.7-43.7177.144.80000111.7K289 N290 S296 Q297K289-T293 PolarHBondContact O-N 3.45Å; K289-T293 PolarHBondContact O-OG1 3.44Å; N290-T293 WeakPolarHBondContact CA-OG1 3.48Å; N290-T293 PolarHBondContact O-N 3.33Å; N290-T293 PolarHBondContact O-OG1 2.83Å; T293-S296 WeakPolarHBondContact O-CB 3.14Å; T293-S296 PolarHBondContact O-N 3.45Å; T293-Q297 WeakPolarHBondContact O-CG 3.45Å; T293-Q297 PolarHBondContact O-N 3.07Å
294E80.7Confident84.1Confident99 Ų9990.1 Ų90.146%0.46348%0.476SS..Hα-helixtrans-63-44176.2-172.3-175.517000111.4N290 S296 Q297 T298N290-E294 WeakPolarHBondContact O-CB 3.38Å; N290-E294 PolarHBondContact O-N 2.83Å; E294-S296 VanDerWaalsContact C-N 3.32Å; E294-S296 PolarHBondContact O-N 2.84Å; E294-Q297 PolarHBondContact O-N 2.97Å; E294-T298 WeakPolarHBondContact O-CB 3.47Å; E294-T298 PolarHBondContact O-N 2.93Å; E294-T298 PolarHBondContact O-OG1 3.49Å
295L81.2Confident84Confident100 Ų10094.3 Ų94.352%0.52449%0.492SS..Hα-helixtrans-61.5-40.4174.3-179.162.3000111.5Q291 T298 L299Q291-L295 WeakPolarHBondContact O-CB 3.28Å; Q291-L295 PolarHBondContact O-N 3.18Å; L295-T298 PolarHBondContact O-N 3.46Å; L295-L299 HydrophobicContact CD1-CD1 4.4Å; L295-L299 HydrophobicContact CD1-CG 4.3Å; L295-L299 HydrophobicContact CG-CD1 4.1Å; L295-L299 HydrophobicContact CG-CG 4.44Å; L295-L299 WeakPolarHBondContact O-CB 3.31Å; L295-L299 WeakPolarHBondContact O-CG 3.33Å; L295-L299 PolarHBondContact O-N 3.43Å
296S81.1Confident84Confident77 Ų7790 Ų9054%0.53848%0.477SS..Hα-helixtrans-65.5-41.1178.2-1680000112.5K292 T293 E294 H300K292-S296 WeakPolarHBondContact O-CB 3.46Å; K292-S296 PolarHBondContact O-N 2.88Å; T293-S296 WeakPolarHBondContact O-CB 3.14Å; T293-S296 PolarHBondContact O-N 3.45Å; E294-S296 VanDerWaalsContact C-N 3.32Å; E294-S296 PolarHBondContact O-N 2.84Å; S296-H300 PolarHBondContact O-N 3.48Å
297Q82.5Confident84Confident138 Ų13893.4 Ų93.465%0.64549%0.487SS*.Hα-helixtrans-65.9-44.6175.4-71.6170.3-12.700111.1T293 E294 L299 H300 S301T293-Q297 WeakPolarHBondContact O-CG 3.45Å; T293-Q297 PolarHBondContact O-N 3.07Å; E294-Q297 PolarHBondContact O-N 2.97Å; Q297-L299 VanDerWaalsContact C-N 3.34Å; Q297-L299 PolarHBondContact O-N 2.97Å; Q297-H300 PolarHBondContact O-N 3.19Å; Q297-S301 PolarHBondContact O-N 2.92Å
298T82.3Confident84.1Confident80 Ų8096.2 Ų96.249%0.49150%0.504SS..Hα-helixtrans-60.1-43.2176-55.30000111.5E294 L295 H300 S301 L302E294-T298 WeakPolarHBondContact O-CB 3.47Å; E294-T298 PolarHBondContact O-N 2.93Å; E294-T298 PolarHBondContact O-OG1 3.49Å; L295-T298 PolarHBondContact O-N 3.46Å; T298-H300 VanDerWaalsContact C-N 3.35Å; T298-H300 PolarHBondContact O-N 3.07Å; T298-S301 PolarHBondContact O-N 3.4Å; T298-L302 WeakPolarHBondContact O-CB 3.42Å; T298-L302 PolarHBondContact O-N 2.74Å
299L82.5Confident84.1Confident102 Ų10296.1 Ų96.153%0.53451%0.506SS..Hα-helixtrans-63.4-38.9175.8-75.7171.2000112.2L295 Q297 L302 S303L295-L299 HydrophobicContact CD1-CD1 4.4Å; L295-L299 HydrophobicContact CD1-CG 4.3Å; L295-L299 HydrophobicContact CG-CD1 4.1Å; L295-L299 HydrophobicContact CG-CG 4.44Å; L295-L299 WeakPolarHBondContact O-CB 3.31Å; L295-L299 WeakPolarHBondContact O-CG 3.33Å; L295-L299 PolarHBondContact O-N 3.43Å; Q297-L299 VanDerWaalsContact C-N 3.34Å; Q297-L299 PolarHBondContact O-N 2.97Å; L299-L302 PolarHBondContact O-N 3.28Å; L299-S303 WeakPolarHBondContact O-CB 3.36Å; L299-S303 PolarHBondContact O-N 3.4Å
300H84.5Confident84.5Confident130 Ų13093.6 Ų93.660%0.60250%0.504SS*.Hα-helixtrans-65.7-47.9177.1-16356.1000111.3S296 Q297 T298 L302 S303 E304S296-H300 PolarHBondContact O-N 3.48Å; Q297-H300 PolarHBondContact O-N 3.19Å; T298-H300 VanDerWaalsContact C-N 3.35Å; T298-H300 PolarHBondContact O-N 3.07Å; H300-L302 VanDerWaalsContact C-N 3.31Å; H300-L302 PolarHBondContact O-N 3.45Å; H300-S303 WeakPolarHBondContact O-CB 3.45Å; H300-S303 PolarHBondContact O-N 2.87Å; H300-E304 PolarHBondContact O-N 2.87Å
301S80.9Confident84.9Confident61 Ų6194.4 Ų94.443%0.42751%0.505SS..Hα-helixtrans-58.7-40.9173.4172.20000112.4Q297 T298 S303 K305Q297-S301 PolarHBondContact O-N 2.92Å; T298-S301 PolarHBondContact O-N 3.4Å; S301-S303 VanDerWaalsContact C-N 3.35Å; S301-K305 WeakPolarHBondContact O-CG 3.49Å; S301-K305 PolarHBondContact O-N 3.43Å; S301-K305 VanDerWaalsContact O-N 3.08Å
302L84.5Confident85.2Confident104 Ų10494.1 Ų94.155%0.54551%0.506SS..Hα-helixtrans-68.7-36179.3-173.264000111.7T298 L299 H300 A306T298-L302 WeakPolarHBondContact O-CB 3.42Å; T298-L302 PolarHBondContact O-N 2.74Å; L299-L302 PolarHBondContact O-N 3.28Å; H300-L302 VanDerWaalsContact C-N 3.31Å; H300-L302 PolarHBondContact O-N 3.45Å; L302-A306 VanDerWaalsContact O-CB 3.32Å; L302-A306 WeakPolarHBondContact O-CB 3.44Å; L302-A306 PolarHBondContact O-N 3.46Å
303S84.5Confident85.7Confident70 Ų7092 Ų9249%0.4950%0.5SS..Hα-helixtrans-64.3-45.4175.6-172.90000112L299 H300 S301 A306 K307L299-S303 WeakPolarHBondContact O-CB 3.36Å; L299-S303 PolarHBondContact O-N 3.4Å; H300-S303 WeakPolarHBondContact O-CB 3.45Å; H300-S303 PolarHBondContact O-N 2.87Å; S301-S303 VanDerWaalsContact C-N 3.35Å; S303-A306 PolarHBondContact O-N 3.19Å; S303-K307 PolarHBondContact O-N 2.91Å
304E85.3Confident86.1Confident90 Ų9091.4 Ų91.442%0.42150%0.502SS..Hα-helixtrans-63.5-45.5176.3-68.9-55.8125.800111.1H300 A306 K307 T308H300-E304 PolarHBondContact O-N 2.87Å; E304-A306 VanDerWaalsContact C-N 3.31Å; E304-A306 PolarHBondContact O-N 3.16Å; E304-K307 WeakPolarHBondContact O-CB 3.19Å; E304-K307 PolarHBondContact O-N 3.22Å; E304-K307 VanDerWaalsContact O-N 3.12Å; E304-T308 PolarHBondContact O-N 2.78Å; E304-T308 PolarHBondContact O-OG1 3.38Å
305K86.7Confident86.6Confident140 Ų14089.2 Ų89.261%0.60950%0.501SS*.Hα-helixtrans-59.7-39.5175.1-72.9-177.9-179.4-170.30112.8S301 K307 A309S301-K305 WeakPolarHBondContact O-CG 3.49Å; S301-K305 PolarHBondContact O-N 3.43Å; S301-K305 VanDerWaalsContact O-N 3.08Å; K305-K307 VanDerWaalsContact C-N 3.33Å; K305-A309 WeakPolarHBondContact O-CB 3.38Å; K305-A309 PolarHBondContact O-N 2.99Å
306A86.8Confident87.1Confident53 Ų5390 Ų9044%0.43851%0.505SS..Hα-helixtrans-66.9-35.5176.900000112.1L302 S303 E304 T310L302-A306 VanDerWaalsContact O-CB 3.32Å; L302-A306 WeakPolarHBondContact O-CB 3.44Å; L302-A306 PolarHBondContact O-N 3.46Å; S303-A306 PolarHBondContact O-N 3.19Å; E304-A306 VanDerWaalsContact C-N 3.31Å; E304-A306 PolarHBondContact O-N 3.16Å; A306-T310 PolarHBondContact O-N 3.12Å; A306-T310 VanDerWaalsContact O-N 3.09Å; A306-T310 PolarHBondContact O-OG1 2.92Å
307K89.4Confident87.6Confident117 Ų11792.9 Ų92.951%0.50951%0.508SS..Hα-helixtrans-65.7-51.1174.5-175.7-175.9172.1-165.20111.1S303 E304 K305 A309 T310 E311S303-K307 PolarHBondContact O-N 2.91Å; E304-K307 WeakPolarHBondContact O-CB 3.19Å; E304-K307 PolarHBondContact O-N 3.22Å; E304-K307 VanDerWaalsContact O-N 3.12Å; K305-K307 VanDerWaalsContact C-N 3.33Å; K307-A309 PolarHBondContact O-N 3.48Å; K307-T310 WeakPolarHBondContact O-CB 3.34Å; K307-T310 PolarHBondContact O-N 2.83Å; K307-E311 WeakPolarHBondContact CE-OE1 3.35Å; K307-E311 PolarHBondContact O-N 3.35Å
308T88.5Confident88.1Confident67 Ų6791.9 Ų91.941%0.41150%0.504SS..Hα-helixtrans-56.9-47.7176-54.20000111.5E304 T310 E311 D312E304-T308 PolarHBondContact O-N 2.78Å; E304-T308 PolarHBondContact O-OG1 3.38Å; T308-T310 PolarHBondContact O-N 3.32Å; T308-E311 WeakPolarHBondContact O-CB 3.43Å; T308-E311 PolarHBondContact O-N 3.14Å; T308-D312 VanDerWaalsContact O-CG 3.23Å; T308-D312 PolarHBondContact O-N 3.34Å
309A87.9Confident88.5Confident44 Ų4492.9 Ų92.936%0.36451%0.505SS..Hα-helixtrans-59.9-33.2177.200000112.9K305 K307 I313K305-A309 WeakPolarHBondContact O-CB 3.38Å; K305-A309 PolarHBondContact O-N 2.99Å; K307-A309 PolarHBondContact O-N 3.48Å; A309-I313 WeakPolarHBondContact O-CB 3.42Å; A309-I313 WeakPolarHBondContact O-CD1 3.34Å; A309-I313 WeakPolarHBondContact O-CG1 3.48Å; A309-I313 PolarHBondContact O-N 3.04Å
310T92.1Very high88.8Confident96 Ų9692.1 Ų92.159%0.58950%0.502SS*.Hα-helixtrans-70.6-39.9176.1-55.30000111.6A306 K307 T308 A314A306-T310 PolarHBondContact O-N 3.12Å; A306-T310 VanDerWaalsContact O-N 3.09Å; A306-T310 PolarHBondContact O-OG1 2.92Å; K307-T310 WeakPolarHBondContact O-CB 3.34Å; K307-T310 PolarHBondContact O-N 2.83Å; T308-T310 PolarHBondContact O-N 3.32Å; T310-A314 PolarHBondContact O-N 2.75Å; T310-A314 VanDerWaalsContact O-N 3.12Å
311E92.9Very high89Confident107 Ų10790.8 Ų90.850%0.550%0.499SS..Hα-helixtrans-65.1-43.6174.7-69.3169.7-178.300111.1K307 T308 I313 A314 A315K307-E311 WeakPolarHBondContact CE-OE1 3.35Å; K307-E311 PolarHBondContact O-N 3.35Å; T308-E311 WeakPolarHBondContact O-CB 3.43Å; T308-E311 PolarHBondContact O-N 3.14Å; E311-I313 PolarHBondContact O-N 3.46Å; E311-A314 WeakPolarHBondContact O-CB 3.25Å; E311-A314 PolarHBondContact O-N 2.86Å; E311-A315 PolarHBondContact O-N 3.48Å
312D88.4Confident89.2Confident90 Ų9093.4 Ų93.448%0.48150%0.503SS..Hα-helixtrans-61.6-43.8176-65.5-22.4000111.7T308 A314 A315 L316T308-D312 VanDerWaalsContact O-CG 3.23Å; T308-D312 PolarHBondContact O-N 3.34Å; D312-A314 VanDerWaalsContact C-N 3.3Å; D312-A314 PolarHBondContact O-N 3.37Å; D312-A315 PolarHBondContact O-N 2.95Å; D312-L316 WeakPolarHBondContact O-CB 3.28Å; D312-L316 WeakPolarHBondContact O-CG 3.23Å; D312-L316 PolarHBondContact O-N 3.24Å
313I91.6Very high89.3Confident95 Ų9591.7 Ų91.749%0.48750%0.497SS..Hα-helixtrans-61.8-39.1175.8-72165.5000111A309 E311 K317A309-I313 WeakPolarHBondContact O-CB 3.42Å; A309-I313 WeakPolarHBondContact O-CD1 3.34Å; A309-I313 WeakPolarHBondContact O-CG1 3.48Å; A309-I313 PolarHBondContact O-N 3.04Å; E311-I313 PolarHBondContact O-N 3.46Å; I313-K317 HydrophobicContact CG2-CD 4.48Å; I313-K317 WeakPolarHBondContact O-CG 3.44Å; I313-K317 PolarHBondContact O-N 2.73Å; I313-K317 VanDerWaalsContact O-N 3.13Å
314A93.1Very high89.3Confident59 Ų5994.5 Ų94.549%0.48850%0.502SS..Hα-helixtrans-67.3-42.1176.700000111.7T310 E311 D312 K317 Q318T310-A314 PolarHBondContact O-N 2.75Å; T310-A314 VanDerWaalsContact O-N 3.12Å; E311-A314 WeakPolarHBondContact O-CB 3.25Å; E311-A314 PolarHBondContact O-N 2.86Å; D312-A314 VanDerWaalsContact C-N 3.3Å; D312-A314 PolarHBondContact O-N 3.37Å; A314-K317 PolarHBondContact O-N 3.19Å; A314-Q318 PolarHBondContact O-N 3.33Å; A314-Q318 VanDerWaalsContact O-N 3.1Å
315A92.4Very high89.3Confident53 Ų5395 Ų9544%0.43851%0.511SS..Hα-helixtrans-64.2-43.3176.500000112.2E311 D312 K317 Q318 L319E311-A315 PolarHBondContact O-N 3.48Å; D312-A315 PolarHBondContact O-N 2.95Å; A315-K317 PolarHBondContact O-N 2.84Å; A315-Q318 PolarHBondContact O-N 2.9Å; A315-L319 WeakPolarHBondContact O-CB 3.33Å; A315-L319 PolarHBondContact O-N 2.56Å
316L91.6Very high89.1Confident116 Ų11693.7 Ų93.761%0.60751%0.511SS*.Hα-helixtrans-61.6-41.4176.3-76.8172.4000112.2D312 L319 N320D312-L316 WeakPolarHBondContact O-CB 3.28Å; D312-L316 WeakPolarHBondContact O-CG 3.23Å; D312-L316 PolarHBondContact O-N 3.24Å; L316-L319 PolarHBondContact O-N 2.99Å; L316-N320 WeakPolarHBondContact O-CB 3.32Å; L316-N320 PolarHBondContact O-N 2.8Å
317K92.2Very high88.9Confident138 Ų13894.7 Ų94.760%0.651%0.511SS*.Hα-helixtrans-61.6-46.2174.4-75.1178.2177.4-175.20111.7I313 A314 A315 L319 N320 D321I313-K317 HydrophobicContact CG2-CD 4.48Å; I313-K317 WeakPolarHBondContact O-CG 3.44Å; I313-K317 PolarHBondContact O-N 2.73Å; I313-K317 VanDerWaalsContact O-N 3.13Å; A314-K317 PolarHBondContact O-N 3.19Å; A315-K317 PolarHBondContact O-N 2.84Å; K317-L319 VanDerWaalsContact C-N 3.32Å; K317-L319 PolarHBondContact O-N 2.92Å; K317-N320 PolarHBondContact O-N 2.9Å; K317-D321 PolarHBondContact O-N 2.94Å; K317-D321 VanDerWaalsContact O-N 3.07Å
318Q92.5Very high88.5Confident117 Ų11790.7 Ų90.755%0.54750%0.503SS..Hα-helixtrans-63.5-37.8177.7-170.9-176.19.800112.4A314 A315 K322A314-Q318 PolarHBondContact O-N 3.33Å; A314-Q318 VanDerWaalsContact O-N 3.1Å; A315-Q318 PolarHBondContact O-N 2.9Å; Q318-K322 WeakPolarHBondContact O-CG 3.48Å; Q318-K322 PolarHBondContact O-N 3.21Å; Q318-K322 VanDerWaalsContact O-N 3.14Å
319L90Very high88.3Confident101 Ų10190.5 Ų90.553%0.52951%0.508SS..Hα-helixtrans-66.5-43.5176-176.863.1000111.2A315 L316 K317 D321 K322 V323A315-L319 WeakPolarHBondContact O-CB 3.33Å; A315-L319 PolarHBondContact O-N 2.56Å; L316-L319 PolarHBondContact O-N 2.99Å; K317-L319 VanDerWaalsContact C-N 3.32Å; K317-L319 PolarHBondContact O-N 2.92Å; L319-D321 VanDerWaalsContact C-N 3.32Å; L319-D321 PolarHBondContact O-N 3.42Å; L319-K322 PolarHBondContact O-N 3.43Å; L319-V323 HydrophobicContact CD1-CG2 4.29Å; L319-V323 HydrophobicContact CG-CG2 4.36Å; L319-V323 WeakPolarHBondContact O-CG2 3.4Å; L319-V323 PolarHBondContact O-N 2.97Å
320N89.1Confident88.1Confident87 Ų8794.6 Ų94.647%0.46552%0.518SS..Hα-helixtrans-57.2-45.2175.7-179.272.7000111.5L316 K317 K322 V323 Q324L316-N320 WeakPolarHBondContact O-CB 3.32Å; L316-N320 PolarHBondContact O-N 2.8Å; K317-N320 PolarHBondContact O-N 2.9Å; N320-K322 PolarHBondContact O-N 3Å; N320-V323 PolarHBondContact O-N 3.02Å; N320-Q324 WeakPolarHBondContact O-CB 3.42Å; N320-Q324 WeakPolarHBondContact O-CG 3.43Å; N320-Q324 PolarHBondContact O-N 2.91Å
321D88.3Confident87.7Confident102 Ų10294.5 Ų94.555%0.54551%0.513SS..Hα-helixtrans-63.1-41.6178.1-64.7-17000111.8K317 L319 Q324 V325K317-D321 PolarHBondContact O-N 2.94Å; K317-D321 VanDerWaalsContact O-N 3.07Å; L319-D321 VanDerWaalsContact C-N 3.32Å; L319-D321 PolarHBondContact O-N 3.42Å; D321-Q324 PolarHBondContact O-N 3.34Å; D321-V325 WeakPolarHBondContact O-CG2 3.44Å; D321-V325 PolarHBondContact O-N 2.83Å; D321-V325 VanDerWaalsContact O-N 3.1Å
322K86Confident87.4Confident116 Ų11693.5 Ų93.550%0.50451%0.514SS..Hα-helixtrans-64.2-43.1175.6-73.8177.7179.9179.50112.6Q318 L319 N320 V325 N326Q318-K322 WeakPolarHBondContact O-CG 3.48Å; Q318-K322 PolarHBondContact O-N 3.21Å; Q318-K322 VanDerWaalsContact O-N 3.14Å; L319-K322 PolarHBondContact O-N 3.43Å; N320-K322 PolarHBondContact O-N 3Å; K322-V325 PolarHBondContact O-N 3.48Å; K322-N326 WeakPolarHBondContact O-CB 3.31Å; K322-N326 VanDerWaalsContact O-CG 3.27Å; K322-N326 PolarHBondContact O-N 3.21Å
323V86.4Confident87.3Confident68 Ų6891.3 Ų91.341%0.41251%0.509SS..Hα-helixtrans-64.6-44.4178171.20000110.2L319 N320 V325 N326 V327L319-V323 HydrophobicContact CD1-CG2 4.29Å; L319-V323 HydrophobicContact CG-CG2 4.36Å; L319-V323 WeakPolarHBondContact O-CG2 3.4Å; L319-V323 PolarHBondContact O-N 2.97Å; N320-V323 PolarHBondContact O-N 3.02Å; V323-V325 VanDerWaalsContact C-N 3.35Å; V323-V325 PolarHBondContact O-N 3.23Å; V323-N326 PolarHBondContact O-N 3.21Å; V323-V327 HydrophobicContact CG1-CG2 3.89Å; V323-V327 VanDerWaalsContact O-CB 3.26Å; V323-V327 WeakPolarHBondContact O-CB 3.22Å; V323-V327 WeakPolarHBondContact O-CG2 3.34Å; V323-V327 PolarHBondContact O-N 3.22Å
324Q83.3Confident86.9Confident128 Ų12891.2 Ų91.260%0.59851%0.506SS*.Hα-helixtrans-58.6-44.2177.2-72.9-72.6-34.100112N320 D321 G328N320-Q324 WeakPolarHBondContact O-CB 3.42Å; N320-Q324 WeakPolarHBondContact O-CG 3.43Å; N320-Q324 PolarHBondContact O-N 2.91Å; D321-Q324 PolarHBondContact O-N 3.34Å; Q324-G328 PolarHBondContact O-N 3.01Å
325V85.4Confident86.5Confident101 Ų10191.3 Ų91.361%0.61250%0.503SS*.Hα-helixtrans-66.6-47.4177.4173.70000111.7D321 K322 V323 G328 A329D321-V325 WeakPolarHBondContact O-CG2 3.44Å; D321-V325 PolarHBondContact O-N 2.83Å; D321-V325 VanDerWaalsContact O-N 3.1Å; K322-V325 PolarHBondContact O-N 3.48Å; V323-V325 VanDerWaalsContact C-N 3.35Å; V323-V325 PolarHBondContact O-N 3.23Å; V325-G328 PolarHBondContact O-N 3.14Å; V325-A329 WeakPolarHBondContact O-CB 3.48Å; V325-A329 PolarHBondContact O-N 3.41Å
326N83.6Confident86.4Confident113 Ų11393.3 Ų93.360%0.60451%0.506SS*.Hα-helixtrans-67.5-43-177.2-72.1-8.8000112.4K322 V323 A329 F330K322-N326 WeakPolarHBondContact O-CB 3.31Å; K322-N326 VanDerWaalsContact O-CG 3.27Å; K322-N326 PolarHBondContact O-N 3.21Å; V323-N326 PolarHBondContact O-N 3.21Å; N326-A329 PolarHBondContact O-N 3.45Å; N326-F330 WeakPolarHBondContact O-CB 3.39Å; N326-F330 PolarHBondContact O-N 2.98Å
327V81.4Confident86Confident74 Ų7494.4 Ų94.445%0.44851%0.508SS..Hα-helixtrans-66-42.9176.8173.60000110.2V323 A329 F330 I331V323-V327 HydrophobicContact CG1-CG2 3.89Å; V323-V327 VanDerWaalsContact O-CB 3.26Å; V323-V327 WeakPolarHBondContact O-CB 3.22Å; V323-V327 WeakPolarHBondContact O-CG2 3.34Å; V323-V327 PolarHBondContact O-N 3.22Å; V327-A329 PolarHBondContact O-N 3.21Å; V327-F330 PolarHBondContact O-N 3.31Å; V327-I331 HydrophobicContact CG1-CD1 3.73Å; V327-I331 HydrophobicContact CG1-CG1 4.34Å; V327-I331 VanDerWaalsContact O-CG1 3.28Å; V327-I331 WeakPolarHBondContact O-CG1 3.21Å; V327-I331 PolarHBondContact O-N 3.36Å
328G82.3Confident85.4Confident33 Ų3391.7 Ų91.734%0.3450%0.498SS..Hα-helixtrans-58.3-48.3175.200000112.6Q324 V325 F330 I331 V332Q324-G328 PolarHBondContact O-N 3.01Å; V325-G328 PolarHBondContact O-N 3.14Å; G328-F330 PolarHBondContact O-N 3.31Å; G328-I331 PolarHBondContact O-N 2.67Å; G328-V332 WeakPolarHBondContact O-CG2 3.36Å; G328-V332 PolarHBondContact O-N 2.94Å
329A84.6Confident85Confident62 Ų6290.1 Ų90.151%0.51249%0.493SS..Hα-helixtrans-62.9-40.3177.500000112.6V325 N326 V327 V332 A333V325-A329 WeakPolarHBondContact O-CB 3.48Å; V325-A329 PolarHBondContact O-N 3.41Å; N326-A329 PolarHBondContact O-N 3.45Å; V327-A329 PolarHBondContact O-N 3.21Å; A329-V332 PolarHBondContact O-N 2.98Å; A329-A333 WeakPolarHBondContact O-CB 3.4Å; A329-A333 PolarHBondContact O-N 3.29Å
330F83.4Confident84.7Confident131 Ų13187.9 Ų87.958%0.57549%0.489SS*.Hα-helixtrans-65.8-42.3178-176.1-105.9000112.6N326 V327 G328 A333 Q334N326-F330 WeakPolarHBondContact O-CB 3.39Å; N326-F330 PolarHBondContact O-N 2.98Å; V327-F330 PolarHBondContact O-N 3.31Å; G328-F330 PolarHBondContact O-N 3.31Å; F330-A333 PolarHBondContact O-N 2.95Å; F330-Q334 HydrophobicContact CE1-CG 4.43Å; F330-Q334 HydrophobicContact CZ-CG 4.44Å; F330-Q334 PolarHBondContact O-N 2.79Å
331I83.5Confident84.2Confident94 Ų9486.4 Ų86.448%0.48249%0.488SS..Hα-helixtrans-61.8-48175.8-69.4168.1000110.3V327 G328 A333 Q334 C335V327-I331 HydrophobicContact CG1-CD1 3.73Å; V327-I331 HydrophobicContact CG1-CG1 4.34Å; V327-I331 VanDerWaalsContact O-CG1 3.28Å; V327-I331 WeakPolarHBondContact O-CG1 3.21Å; V327-I331 PolarHBondContact O-N 3.36Å; G328-I331 PolarHBondContact O-N 2.67Å; I331-A333 PolarHBondContact O-N 2.78Å; I331-Q334 PolarHBondContact O-N 3.02Å; I331-C335 PolarHBondContact O-N 3.46Å; I331-C335 PolarHBondContact O-SG 2.99Å; I331-C335 VanDerWaalsContact O-SG 3.35Å
332V86.3Confident83.6Confident85 Ų8586.3 Ų86.352%0.51549%0.487SS..Hα-helixtrans-58.5-48.5178.7171.80000110.8G328 A329 Q334 C335 D336G328-V332 WeakPolarHBondContact O-CG2 3.36Å; G328-V332 PolarHBondContact O-N 2.94Å; A329-V332 PolarHBondContact O-N 2.98Å; V332-Q334 VanDerWaalsContact C-N 3.35Å; V332-Q334 PolarHBondContact O-N 2.95Å; V332-C335 PolarHBondContact O-N 2.9Å; V332-D336 PolarHBondContact O-N 2.93Å
333A86.5Confident83.4Confident45 Ų4586.7 Ų86.737%0.37249%0.491SS..Hα-helixtrans-61.1-39.9179.500000113A329 F330 I331 Q337A329-A333 WeakPolarHBondContact O-CB 3.4Å; A329-A333 PolarHBondContact O-N 3.29Å; F330-A333 PolarHBondContact O-N 2.95Å; I331-A333 PolarHBondContact O-N 2.78Å; A333-Q337 WeakPolarHBondContact O-CG 3.36Å; A333-Q337 PolarHBondContact O-N 3.03Å; A333-Q337 VanDerWaalsContact O-N 3.09Å
334Q83Confident82.8Confident93 Ų9389.9 Ų89.944%0.43550%0.501SS..Hα-helixtrans-67-42.6174.8-78-154.23500112.5F330 I331 V332 D336 Q337 M338F330-Q334 HydrophobicContact CE1-CG 4.43Å; F330-Q334 HydrophobicContact CZ-CG 4.44Å; F330-Q334 PolarHBondContact O-N 2.79Å; I331-Q334 PolarHBondContact O-N 3.02Å; V332-Q334 VanDerWaalsContact C-N 3.35Å; V332-Q334 PolarHBondContact O-N 2.95Å; Q334-D336 VanDerWaalsContact C-N 3.33Å; Q334-D336 PolarHBondContact O-N 2.78Å; Q334-Q337 PolarHBondContact O-N 3.31Å; Q334-M338 WeakPolarHBondContact O-CG 3.25Å; Q334-M338 PolarHBondContact O-N 3.4Å
335C84.4Confident82.1Confident61 Ų6190.7 Ų90.741%0.41250%0.499SS..Hα-helixtrans-59.9-44175.7-72.10000111.4I331 V332 Q337 M338 I339I331-C335 PolarHBondContact O-N 3.46Å; I331-C335 PolarHBondContact O-SG 2.99Å; I331-C335 VanDerWaalsContact O-SG 3.35Å; V332-C335 PolarHBondContact O-N 2.9Å; C335-Q337 PolarHBondContact O-N 2.7Å; C335-M338 PolarHBondContact O-N 3.43Å; C335-I339 VanDerWaalsContact O-CG1 3.26Å; C335-I339 WeakPolarHBondContact O-CG1 3.23Å; C335-I339 PolarHBondContact O-N 3.49Å
336D90.3Very high81.4Confident95 Ų9592.4 Ų92.451%0.50850%0.498SS..Hα-helixtrans-63.7-40.4178.2-71.4-25.6000112.1V332 Q334 I339 A340V332-D336 PolarHBondContact O-N 2.93Å; Q334-D336 VanDerWaalsContact C-N 3.33Å; Q334-D336 PolarHBondContact O-N 2.78Å; D336-I339 PolarHBondContact O-N 2.93Å; D336-A340 WeakPolarHBondContact O-CB 3.27Å; D336-A340 PolarHBondContact O-N 3.5Å
337Q83.9Confident80.9Confident138 Ų13892.2 Ų92.265%0.64549%0.494SS*.Hα-helixtrans-62.7-42.4174.1-75.3177.920.300112.2A333 Q334 C335 A340 A341A333-Q337 WeakPolarHBondContact O-CG 3.36Å; A333-Q337 PolarHBondContact O-N 3.03Å; A333-Q337 VanDerWaalsContact O-N 3.09Å; Q334-Q337 PolarHBondContact O-N 3.31Å; C335-Q337 PolarHBondContact O-N 2.7Å; Q337-A340 PolarHBondContact O-N 2.82Å; Q337-A341 WeakPolarHBondContact O-CB 3.35Å; Q337-A341 PolarHBondContact O-N 3.13Å
338M78.8Confident80.1Confident81 Ų8193.9 Ų93.940%0.39950%0.5SS..Hα-helixtrans-65.4-41.8176.4-73.417759.800112Q334 C335 A340 A341 L342Q334-M338 WeakPolarHBondContact O-CG 3.25Å; Q334-M338 PolarHBondContact O-N 3.4Å; C335-M338 PolarHBondContact O-N 3.43Å; M338-A340 VanDerWaalsContact C-N 3.35Å; M338-A341 PolarHBondContact O-N 3.34Å; M338-L342 WeakPolarHBondContact O-CB 3.19Å; M338-L342 WeakPolarHBondContact O-CG 3.19Å; M338-L342 PolarHBondContact O-N 2.85Å
339I84.7Confident79Confident85 Ų8596 Ų9644%0.43650%0.502SS..Hα-helixtrans-60.7-45.9175.3-69.7165.2000110.1C335 D336 A341 L342 Q343C335-I339 VanDerWaalsContact O-CG1 3.26Å; C335-I339 WeakPolarHBondContact O-CG1 3.23Å; C335-I339 PolarHBondContact O-N 3.49Å; D336-I339 PolarHBondContact O-N 2.93Å; I339-A341 PolarHBondContact O-N 3.14Å; I339-L342 PolarHBondContact O-N 3.32Å; I339-Q343 HydrophobicContact CG2-CG 4.43Å; I339-Q343 WeakPolarHBondContact O-CB 3.4Å; I339-Q343 VanDerWaalsContact O-CG 3.31Å; I339-Q343 WeakPolarHBondContact O-CG 3.44Å; I339-Q343 PolarHBondContact O-N 3.21Å
340A84.4Confident78.1Confident53 Ų5398.8 Ų98.844%0.43851%0.507SS..Hα-helixtrans-61.2-44177.600000112.2D336 Q337 M338 L342 Q343 Q344D336-A340 WeakPolarHBondContact O-CB 3.27Å; D336-A340 PolarHBondContact O-N 3.5Å; Q337-A340 PolarHBondContact O-N 2.82Å; M338-A340 VanDerWaalsContact C-N 3.35Å; A340-L342 PolarHBondContact O-N 2.94Å; A340-Q343 PolarHBondContact O-N 3.39Å; A340-Q344 WeakPolarHBondContact O-CB 3.31Å; A340-Q344 PolarHBondContact O-N 3.28Å
341A77.2Confident77.1Confident56 Ų5697.6 Ų97.646%0.46350%0.504SS..Hα-helixtrans-64-40.2177.100000112.5Q337 M338 I339 Q344 R345Q337-A341 WeakPolarHBondContact O-CB 3.35Å; Q337-A341 PolarHBondContact O-N 3.13Å; M338-A341 PolarHBondContact O-N 3.34Å; I339-A341 PolarHBondContact O-N 3.14Å; A341-Q344 PolarHBondContact O-N 3.41Å; A341-R345 WeakPolarHBondContact O-CB 3.44Å; A341-R345 PolarHBondContact O-N 3.17Å
342L76.6Confident76Confident100 Ų10096.2 Ų96.252%0.52450%0.497SS..Hα-helixtrans-64.5-42.5174.4-75.6171.7000111.8M338 I339 A340 R345 K346M338-L342 WeakPolarHBondContact O-CB 3.19Å; M338-L342 WeakPolarHBondContact O-CG 3.19Å; M338-L342 PolarHBondContact O-N 2.85Å; I339-L342 PolarHBondContact O-N 3.32Å; A340-L342 PolarHBondContact O-N 2.94Å; L342-R345 PolarHBondContact O-N 2.95Å; L342-K346 WeakPolarHBondContact O-CB 3.35Å; L342-K346 PolarHBondContact O-N 3.02Å
343Q81.4Confident75Confident124 Ų124101.1 Ų101.158%0.57951%0.506SS*.Hα-helixtrans-63.4-42.4175.8-73.3176.2-0.500111.9I339 A340 K346 E347I339-Q343 HydrophobicContact CG2-CG 4.43Å; I339-Q343 WeakPolarHBondContact O-CB 3.4Å; I339-Q343 VanDerWaalsContact O-CG 3.31Å; I339-Q343 WeakPolarHBondContact O-CG 3.44Å; I339-Q343 PolarHBondContact O-N 3.21Å; A340-Q343 PolarHBondContact O-N 3.39Å; Q343-K346 WeakPolarHBondContact O-CB 3.43Å; Q343-K346 PolarHBondContact O-N 3.47Å; Q343-E347 PolarHBondContact O-N 2.92Å
344Q74.4Confident73.9Confident135 Ų135102.6 Ų102.663%0.63151%0.507SS*.Hα-helixtrans-62.3-44.5176-172.1-176.517.800111.8A340 A341 E347 L348A340-Q344 WeakPolarHBondContact O-CB 3.31Å; A340-Q344 PolarHBondContact O-N 3.28Å; A341-Q344 PolarHBondContact O-N 3.41Å; Q344-E347 PolarHBondContact O-N 3.46Å; Q344-L348 WeakPolarHBondContact O-CG 3.26Å; Q344-L348 PolarHBondContact O-N 3.1Å; Q344-L348 VanDerWaalsContact O-N 3.08Å
345R67.8Low73.2Confident145 Ų145101.3 Ų101.355%0.54750%0.503SS..Hα-helixtrans-65.3-39.8177.8-171.2171-177.6139.3-1.9111.9A341 L342 E347 L348 M349A341-R345 WeakPolarHBondContact O-CB 3.44Å; A341-R345 PolarHBondContact O-N 3.17Å; L342-R345 PolarHBondContact O-N 2.95Å; R345-E347 VanDerWaalsContact C-N 3.33Å; R345-E347 PolarHBondContact O-N 3.36Å; R345-L348 PolarHBondContact O-N 3.27Å; R345-M349 WeakPolarHBondContact O-CG 3.35Å; R345-M349 PolarHBondContact O-N 2.85Å
346K71.9Confident72.7Confident138 Ų138105.1 Ų105.160%0.651%0.509SS*.Hα-helixtrans-55.5-47.8172.3175.7-168.8170.9-171.60111.1L342 Q343 M349 L350L342-K346 WeakPolarHBondContact O-CB 3.35Å; L342-K346 PolarHBondContact O-N 3.02Å; Q343-K346 WeakPolarHBondContact O-CB 3.43Å; Q343-K346 PolarHBondContact O-N 3.47Å; K346-M349 PolarHBondContact O-N 3.29Å; K346-L350 HydrophobicContact CG-CD1 4.16Å; K346-L350 WeakPolarHBondContact O-CG 3.48Å; K346-L350 PolarHBondContact O-N 3.09Å
347E72.2Confident71.8Confident108 Ų108104.8 Ų104.851%0.50551%0.507SS..Hα-helixtrans-64.4-42.7-178.6-161.863.6-159.400112.1Q343 Q344 R345 M349 L350 Q351Q343-E347 PolarHBondContact O-N 2.92Å; Q344-E347 PolarHBondContact O-N 3.46Å; R345-E347 VanDerWaalsContact C-N 3.33Å; R345-E347 PolarHBondContact O-N 3.36Å; E347-M349 VanDerWaalsContact C-N 3.29Å; E347-M349 PolarHBondContact O-N 3.25Å; E347-L350 PolarHBondContact O-N 2.97Å; E347-Q351 WeakPolarHBondContact O-CG 3.46Å; E347-Q351 PolarHBondContact O-N 3.48Å; E347-Q351 VanDerWaalsContact O-N 3.17Å
348L64.1Low71.3Confident110 Ų110100 Ų10058%0.57648%0.484SS*.Hα-helixtrans-60.6-38.3174.7-71.8170.7000112.4Q344 R345 Q351Q344-L348 WeakPolarHBondContact O-CG 3.26Å; Q344-L348 PolarHBondContact O-N 3.1Å; Q344-L348 VanDerWaalsContact O-N 3.08Å; R345-L348 PolarHBondContact O-N 3.27Å; L348-Q351 PolarHBondContact O-N 3.22Å
349M59.6Low71.4Confident78 Ų78100.2 Ų100.238%0.38449%0.487SS..Hα-helixtrans-71-35.4177.5-72.5-167.4143.400113R345 K346 E347 Q351 N352 L416R345-M349 WeakPolarHBondContact O-CG 3.35Å; R345-M349 PolarHBondContact O-N 2.85Å; K346-M349 PolarHBondContact O-N 3.29Å; E347-M349 VanDerWaalsContact C-N 3.29Å; E347-M349 PolarHBondContact O-N 3.25Å; M349-Q351 PolarHBondContact O-N 3.09Å; M349-N352 PolarHBondContact O-N 3.49Å; M349-L416 HydrophobicContact CE-CD1 3.92Å; M349-L416 HydrophobicContact CE-CD2 3.51Å; M349-L416 HydrophobicContact CE-CG 3.99Å; M349-L416 HydrophobicContact SD-CD1 3.94Å; M349-L416 HydrophobicContact SD-CD2 4.11Å
350L65.5Low71.3Confident120 Ų12099.7 Ų99.763%0.62849%0.488SS*.Hα-helixtrans-65.5-27.7173.7-74.7167.6000112.2K346 E347 N352K346-L350 HydrophobicContact CG-CD1 4.16Å; K346-L350 WeakPolarHBondContact O-CG 3.48Å; K346-L350 PolarHBondContact O-N 3.09Å; E347-L350 PolarHBondContact O-N 2.97Å; L350-N352 PolarHBondContact O-N 3.26Å
351Q62.8Low71Confident106 Ų106100.9 Ų100.950%0.49549%0.493SS..THydrogen-bonded Turntrans-73.915.9176.4-71.9-174.92.800114.8E347 L348 M349 R353 R356E347-Q351 WeakPolarHBondContact O-CG 3.46Å; E347-Q351 PolarHBondContact O-N 3.48Å; E347-Q351 VanDerWaalsContact O-N 3.17Å; L348-Q351 PolarHBondContact O-N 3.22Å; M349-Q351 PolarHBondContact O-N 3.09Å; Q351-R353 PolarHBondContact O-N 2.88Å; Q351-R356 VanDerWaalsContact C-NH2 3.35Å; Q351-R356 PolarHBondContact O-NH2 2.8Å
352N60Low71.1Confident65 Ų6599.6 Ų99.635%0.34848%0.48SS..  trans-34.289.9-173.9-137.4-34.9000114.4M349 L350 L354M349-N352 PolarHBondContact O-N 3.49Å; L350-N352 PolarHBondContact O-N 3.26Å; N352-L354 VanDerWaalsContact C-N 3.25Å; N352-L354 PolarHBondContact O-N 2.72Å
353R64.7Low71.5Confident188 Ų18897.9 Ų97.971%0.70947%0.473SS*.Hα-helixtrans-67.8-29.9-175.6-173.7177.8174.3173.61.3111.2Q351 L355 R356 D357Q351-R353 PolarHBondContact O-N 2.88Å; R353-L355 PolarHBondContact O-N 2.93Å; R353-R356 PolarHBondContact O-N 2.83Å; R353-D357 IonicContact NE-OD2 3.29Å; R353-D357 PolarHBondContact O-N 2.73Å
354L65.3Low71.6Confident75 Ų7595.6 Ų95.639%0.39347%0.465SS..Hα-helixtrans-61.1-45.2-178.1-167.970000112.4N352 R356 D357 Q358 A408 V409N352-L354 VanDerWaalsContact C-N 3.25Å; N352-L354 PolarHBondContact O-N 2.72Å; L354-R356 VanDerWaalsContact C-N 3.34Å; L354-R356 PolarHBondContact O-N 2.7Å; L354-D357 PolarHBondContact O-N 2.74Å; L354-Q358 WeakPolarHBondContact O-CB 3.38Å; L354-Q358 WeakPolarHBondContact O-CG 3.35Å; L354-Q358 PolarHBondContact O-N 2.77Å; L354-A408 HydrophobicContact CD2-CB 3.93Å; L354-V409 HydrophobicContact CD2-CG2 4.01Å
355L68.1Low71.9Confident66 Ų6692.9 Ų92.935%0.34646%0.455SS..Hα-helixtrans-66.2-38.5177.3-12589.3000111.5R353 Q358 I359 V409R353-L355 PolarHBondContact O-N 2.93Å; L355-Q358 PolarHBondContact O-N 3.04Å; L355-I359 WeakPolarHBondContact O-CB 3.42Å; L355-I359 WeakPolarHBondContact O-CD1 3.32Å; L355-I359 WeakPolarHBondContact O-CG1 3.27Å; L355-I359 PolarHBondContact O-N 2.94Å; L355-V409 HydrophobicContact CD1-CG2 4.1Å
356R72.4Confident72.7Confident142 Ų14289.5 Ų89.554%0.53645%0.447SS..Hα-helixtrans-64.8-42.1177-76-170.5-86.8-144.62112.1Q351 R353 L354 I359 T360Q351-R356 VanDerWaalsContact C-NH2 3.35Å; Q351-R356 PolarHBondContact O-NH2 2.8Å; R353-R356 PolarHBondContact O-N 2.83Å; L354-R356 VanDerWaalsContact C-N 3.34Å; L354-R356 PolarHBondContact O-N 2.7Å; R356-I359 PolarHBondContact O-N 2.78Å; R356-T360 WeakPolarHBondContact O-CB 3.28Å; R356-T360 PolarHBondContact O-N 2.84Å; R356-T360 PolarHBondContact O-OG1 3.03Å
357D73Confident73.4Confident87 Ų8788.7 Ų88.747%0.46545%0.445SS..Hα-helixtrans-66.9-39.9177-67.9-15.5000110.9R353 L354 T360 S361R353-D357 IonicContact NE-OD2 3.29Å; R353-D357 PolarHBondContact O-N 2.73Å; L354-D357 PolarHBondContact O-N 2.74Å; D357-T360 PolarHBondContact O-N 2.78Å; D357-S361 WeakPolarHBondContact O-CB 3.26Å; D357-S361 PolarHBondContact O-N 3.05Å
358Q72.9Confident73.9Confident37 Ų3791.1 Ų91.117%0.17345%0.454CS..Hα-helixtrans-63.4-46.5173.3-75.3178.6-17.200112.4L354 L355 T360 S361 C362 L404 D405L354-Q358 WeakPolarHBondContact O-CB 3.38Å; L354-Q358 WeakPolarHBondContact O-CG 3.35Å; L354-Q358 PolarHBondContact O-N 2.77Å; L355-Q358 PolarHBondContact O-N 3.04Å; Q358-T360 VanDerWaalsContact C-N 3.28Å; Q358-T360 PolarHBondContact O-N 3.09Å; Q358-S361 WeakPolarHBondContact O-CB 3.24Å; Q358-S361 PolarHBondContact O-N 3.17Å; Q358-S361 VanDerWaalsContact O-N 3.17Å; Q358-C362 WeakPolarHBondContact O-CB 3.45Å; Q358-C362 PolarHBondContact O-N 3Å; Q358-C362 PolarHBondContact O-SG 3.2Å; Q358-C362 VanDerWaalsContact O-SG 3.37Å; Q358-L404 HydrophobicContact CB-CD2 3.76Å; Q358-D405 PolarHBondContact NE2-O 2.58Å; Q358-D405 PolarHBondContact OE1-O 3.31Å
359I80.1Confident74.8Confident87 Ų8787.8 Ų87.845%0.44644%0.439SS..Hα-helixtrans-57.9-43.8175.2-71.3163.8000110.5L355 R356 C362 T363L355-I359 WeakPolarHBondContact O-CB 3.42Å; L355-I359 WeakPolarHBondContact O-CD1 3.32Å; L355-I359 WeakPolarHBondContact O-CG1 3.27Å; L355-I359 PolarHBondContact O-N 2.94Å; R356-I359 PolarHBondContact O-N 2.78Å; I359-C362 PolarHBondContact O-N 2.74Å; I359-T363 WeakPolarHBondContact O-CB 3.15Å; I359-T363 PolarHBondContact O-N 3.45Å; I359-T363 PolarHBondContact O-OG1 2.83Å
360T82Confident76Confident74 Ų7488.3 Ų88.345%0.45444%0.443SS..Hα-helixtrans-62.9-43.3177.8-55.50000111.1R356 D357 Q358 T363 N364R356-T360 WeakPolarHBondContact O-CB 3.28Å; R356-T360 PolarHBondContact O-N 2.84Å; R356-T360 PolarHBondContact O-OG1 3.03Å; D357-T360 PolarHBondContact O-N 2.78Å; Q358-T360 VanDerWaalsContact C-N 3.28Å; Q358-T360 PolarHBondContact O-N 3.09Å; T360-T363 PolarHBondContact O-N 3.04Å; T360-N364 WeakPolarHBondContact O-CB 3.32Å; T360-N364 VanDerWaalsContact O-CG 3.27Å; T360-N364 PolarHBondContact O-N 3.24Å; T360-N364 PolarHBondContact O-ND2 3.42Å
361S78.2Confident76.9Confident78 Ų7884.2 Ų84.255%0.54543%0.43SS..Hα-helixtrans-61.8-49.3176.3-170.10000112.2D357 Q358 T363 N364 L365D357-S361 WeakPolarHBondContact O-CB 3.26Å; D357-S361 PolarHBondContact O-N 3.05Å; Q358-S361 WeakPolarHBondContact O-CB 3.24Å; Q358-S361 PolarHBondContact O-N 3.17Å; Q358-S361 VanDerWaalsContact O-N 3.17Å; S361-T363 VanDerWaalsContact C-N 3.32Å; S361-T363 PolarHBondContact O-N 3.26Å; S361-N364 PolarHBondContact O-N 3.13Å; S361-L365 PolarHBondContact O-N 2.86Å
362C80.7Confident78Confident28 Ų2882.5 Ų82.519%0.18942%0.424CS..Hα-helixtrans-59-41.7175.6-72.10000112.2Q358 I359 L365 L366 L402Q358-C362 WeakPolarHBondContact O-CB 3.45Å; Q358-C362 PolarHBondContact O-N 3Å; Q358-C362 PolarHBondContact O-SG 3.2Å; Q358-C362 VanDerWaalsContact O-SG 3.37Å; I359-C362 PolarHBondContact O-N 2.74Å; C362-L365 PolarHBondContact O-N 2.86Å; C362-L366 WeakPolarHBondContact O-CB 3.16Å; C362-L366 PolarHBondContact O-N 2.86Å; C362-L402 HydrophobicContact CB-CD2 3.59Å
363T83.9Confident79.1Confident64 Ų6482.9 Ų82.939%0.39343%0.428SS..Hα-helixtrans-63.3-45.2177.6-56.80000111.2I359 T360 S361 L365 L366 Q367I359-T363 WeakPolarHBondContact O-CB 3.15Å; I359-T363 PolarHBondContact O-N 3.45Å; I359-T363 PolarHBondContact O-OG1 2.83Å; T360-T363 PolarHBondContact O-N 3.04Å; S361-T363 VanDerWaalsContact C-N 3.32Å; S361-T363 PolarHBondContact O-N 3.26Å; T363-L365 PolarHBondContact O-N 3.12Å; T363-L366 PolarHBondContact O-N 2.78Å; T363-Q367 WeakPolarHBondContact O-CG 3.36Å; T363-Q367 PolarHBondContact O-N 2.85Å
364N83.2Confident80.1Confident76 Ų7680.2 Ų80.241%0.40642%0.424SS..Hα-helixtrans-64.9-38.7177.5-72.8-27.5000112.2T360 S361 Q367 K368T360-N364 WeakPolarHBondContact O-CB 3.32Å; T360-N364 VanDerWaalsContact O-CG 3.27Å; T360-N364 PolarHBondContact O-N 3.24Å; T360-N364 PolarHBondContact O-ND2 3.42Å; S361-N364 PolarHBondContact O-N 3.13Å; N364-Q367 PolarHBondContact O-N 2.86Å; N364-K368 WeakPolarHBondContact O-CG 3.15Å; N364-K368 PolarHBondContact O-N 3.11Å; N364-K368 VanDerWaalsContact O-N 3.1Å
365L82.6Confident81.1Confident79 Ų7981.1 Ų81.141%0.41443%0.425SS..Hα-helixtrans-64.5-46.9175.6-175.462.8000110.9S361 C362 T363 Q367 K368 T369 F400S361-L365 PolarHBondContact O-N 2.86Å; C362-L365 PolarHBondContact O-N 2.86Å; T363-L365 PolarHBondContact O-N 3.12Å; L365-Q367 VanDerWaalsContact C-N 3.32Å; L365-Q367 PolarHBondContact O-N 2.98Å; L365-K368 PolarHBondContact O-N 3.16Å; L365-T369 PolarHBondContact O-N 3.15Å; L365-T369 PolarHBondContact O-OG1 2.98Å; L365-T369 VanDerWaalsContact O-OG1 3.09Å; L365-F400 HydrophobicContact CG-CE2 4.47Å
366L84Confident81.9Confident73 Ų7379.1 Ų79.138%0.38242%0.416SS..Hα-helixtrans-58.6-42.6176.4-174.573.3000111.9C362 T363 T369 N370 F400 L402C362-L366 WeakPolarHBondContact O-CB 3.16Å; C362-L366 PolarHBondContact O-N 2.86Å; T363-L366 PolarHBondContact O-N 2.78Å; L366-T369 PolarHBondContact O-N 3.34Å; L366-N370 WeakPolarHBondContact O-CB 3.48Å; L366-N370 PolarHBondContact O-N 2.81Å; L366-F400 HydrophobicContact CD1-CE1 4.26Å; L366-F400 HydrophobicContact CD1-CZ 3.63Å; L366-L402 HydrophobicContact CD1-CD1 4.44Å
367Q86.8Confident82.6Confident121 Ų12176.7 Ų76.757%0.56541%0.413SS*.Hα-helixtrans-61.4-43.4176-76.5179.9-8.300112.3T363 N364 L365 N370 G371T363-Q367 WeakPolarHBondContact O-CG 3.36Å; T363-Q367 PolarHBondContact O-N 2.85Å; N364-Q367 PolarHBondContact O-N 2.86Å; L365-Q367 VanDerWaalsContact C-N 3.32Å; L365-Q367 PolarHBondContact O-N 2.98Å; Q367-N370 PolarHBondContact O-N 3.08Å; Q367-G371 PolarHBondContact O-N 2.84Å
368K82.5Confident83.2Confident159 Ų15977.8 Ų77.869%0.69142%0.415SS*.Hα-helixtrans-62.9-44.4175.6-72.8175.5-179.3-179.10111.8N364 L365 G371 L372N364-K368 WeakPolarHBondContact O-CG 3.15Å; N364-K368 PolarHBondContact O-N 3.11Å; N364-K368 VanDerWaalsContact O-N 3.1Å; L365-K368 PolarHBondContact O-N 3.16Å; K368-G371 PolarHBondContact O-N 3.32Å; K368-L372 PolarHBondContact O-N 2.97Å
369T82.2Confident83.9Confident41 Ų4176.7 Ų76.725%0.25241%0.412SS..Hα-helixtrans-63.3-43.3177.7-55.50000111.5L365 L366 G371 L372 V373 F400L365-T369 PolarHBondContact O-N 3.15Å; L365-T369 PolarHBondContact O-OG1 2.98Å; L365-T369 VanDerWaalsContact O-OG1 3.09Å; L366-T369 PolarHBondContact O-N 3.34Å; T369-G371 VanDerWaalsContact C-N 3.3Å; T369-G371 PolarHBondContact O-N 3.25Å; T369-L372 PolarHBondContact O-N 2.85Å; T369-L372 VanDerWaalsContact O-N 3.14Å; T369-V373 WeakPolarHBondContact O-CG2 3.44Å; T369-V373 PolarHBondContact O-N 3.33Å; T369-F400 HydrophobicContact CG2-CD2 3.93Å; T369-F400 HydrophobicContact CG2-CE2 4.03Å; T369-F400 WeakPolarHBondContact OG1-CE2 3.34Å
370N84.8Confident84.1Confident89 Ų8978.7 Ų78.748%0.47642%0.423SS..Hα-helixtrans-59.7-40.8174.3-79.7-22.3000112L366 Q367 V373 Q374L366-N370 WeakPolarHBondContact O-CB 3.48Å; L366-N370 PolarHBondContact O-N 2.81Å; Q367-N370 PolarHBondContact O-N 3.08Å; N370-V373 PolarHBondContact O-N 3.46Å; N370-Q374 WeakPolarHBondContact O-CG 3.43Å; N370-Q374 PolarHBondContact O-N 3.31Å
371G85.6Confident84.5Confident34 Ų3481.2 Ų81.235%0.35143%0.428SS..Hα-helixtrans-62.7-41173.800000112.8Q367 K368 T369 Q374 F375Q367-G371 PolarHBondContact O-N 2.84Å; K368-G371 PolarHBondContact O-N 3.32Å; T369-G371 VanDerWaalsContact C-N 3.3Å; T369-G371 PolarHBondContact O-N 3.25Å; G371-Q374 PolarHBondContact O-N 3.3Å; G371-F375 WeakPolarHBondContact O-CB 3.37Å; G371-F375 PolarHBondContact O-N 2.89Å
372L84.4Confident84.9Confident69 Ų6982.2 Ų82.236%0.36142%0.424SS..Hα-helixtrans-66.1-41.1175.9-173.864.3000112.1K368 T369 F375 C376 V396K368-L372 PolarHBondContact O-N 2.97Å; T369-L372 PolarHBondContact O-N 2.85Å; T369-L372 VanDerWaalsContact O-N 3.14Å; L372-F375 HydrophobicContact CD1-CD1 4.32Å; L372-F375 WeakPolarHBondContact O-CB 3.42Å; L372-F375 PolarHBondContact O-N 3.15Å; L372-C376 PolarHBondContact O-N 2.92Å; L372-C376 PolarHBondContact O-SG 3.04Å; L372-V396 HydrophobicContact CD1-CG2 3.98Å; L372-V396 HydrophobicContact CD2-CG1 3.77Å; L372-V396 HydrophobicContact CD2-CG2 3.96Å; L372-V396 HydrophobicContact CG-CG1 4.32Å; L372-V396 HydrophobicContact CG-CG2 4.04Å
373V83.1Confident85.2Confident74 Ų7487.1 Ų87.145%0.44845%0.453SS..Hα-helixtrans-60.8-45.7174.9170.40000110.6T369 N370 F375 C376 I377T369-V373 WeakPolarHBondContact O-CG2 3.44Å; T369-V373 PolarHBondContact O-N 3.33Å; N370-V373 PolarHBondContact O-N 3.46Å; V373-F375 VanDerWaalsContact C-N 3.33Å; V373-F375 PolarHBondContact O-N 3.26Å; V373-C376 PolarHBondContact O-N 3.04Å; V373-I377 HydrophobicContact CG1-CD1 3.93Å; V373-I377 VanDerWaalsContact O-CG1 3.3Å; V373-I377 WeakPolarHBondContact O-CG1 3.41Å; V373-I377 PolarHBondContact O-N 3.43Å
374Q86.1Confident85.4Confident132 Ų13287.6 Ų87.662%0.61745%0.453SS*.Hα-helixtrans-60-43.5174.8-75.5177.7-16.700111.7N370 G371 C376 I377 E378N370-Q374 WeakPolarHBondContact O-CG 3.43Å; N370-Q374 PolarHBondContact O-N 3.31Å; G371-Q374 PolarHBondContact O-N 3.3Å; Q374-C376 PolarHBondContact O-N 3.01Å; Q374-I377 PolarHBondContact O-N 2.94Å; Q374-E378 PolarHBondContact O-N 3.04Å
375F86.3Confident85.4Confident93 Ų9388.2 Ų88.241%0.40846%0.461SS..Hα-helixtrans-59.2-45.3174.4173.8-98.1000112.2G371 L372 V373 I377 E378 A379 E392 A393G371-F375 WeakPolarHBondContact O-CB 3.37Å; G371-F375 PolarHBondContact O-N 2.89Å; L372-F375 HydrophobicContact CD1-CD1 4.32Å; L372-F375 WeakPolarHBondContact O-CB 3.42Å; L372-F375 PolarHBondContact O-N 3.15Å; V373-F375 VanDerWaalsContact C-N 3.33Å; V373-F375 PolarHBondContact O-N 3.26Å; F375-I377 VanDerWaalsContact C-N 3.35Å; F375-I377 PolarHBondContact O-N 3.24Å; F375-E378 PolarHBondContact O-N 3.42Å; F375-A379 WeakPolarHBondContact O-CB 3.27Å; F375-A379 PolarHBondContact O-N 2.69Å; F375-E392 HydrophobicContact CE1-CB 4.3Å; F375-A393 HydrophobicContact CD1-CB 4.42Å; F375-A393 HydrophobicContact CE1-CB 4.02Å
376C85.3Confident85.5Confident25 Ų2589.6 Ų89.617%0.16947%0.472CS..Hα-helixtrans-61.8-40.6176-69.80000112.5L372 V373 Q374 E378 A379 L380 V396L372-C376 PolarHBondContact O-N 2.92Å; L372-C376 PolarHBondContact O-SG 3.04Å; V373-C376 PolarHBondContact O-N 3.04Å; Q374-C376 PolarHBondContact O-N 3.01Å; C376-E378 VanDerWaalsContact C-N 3.32Å; C376-E378 PolarHBondContact O-N 3.17Å; C376-A379 PolarHBondContact O-N 3.04Å; C376-L380 WeakPolarHBondContact O-CG 3.27Å; C376-L380 PolarHBondContact O-N 2.97Å; C376-V396 VanDerWaalsContact SG-CG2 3.54Å
377I86.6Confident85.4Confident90 Ų9087.6 Ų87.646%0.46247%0.466SS..Hα-helixtrans-61.9-40.7176.6-68.8165.1000111V373 Q374 F375V373-I377 HydrophobicContact CG1-CD1 3.93Å; V373-I377 VanDerWaalsContact O-CG1 3.3Å; V373-I377 WeakPolarHBondContact O-CG1 3.41Å; V373-I377 PolarHBondContact O-N 3.43Å; Q374-I377 PolarHBondContact O-N 2.94Å; F375-I377 VanDerWaalsContact C-N 3.35Å; F375-I377 PolarHBondContact O-N 3.24Å
378E87Confident85.4Confident111 Ų11184.9 Ų84.952%0.51945%0.453SS..Hα-helixtrans-70.6-40.5175.4-66.7-53.7132.900112.1Q374 F375 C376 L380 K381Q374-E378 PolarHBondContact O-N 3.04Å; F375-E378 PolarHBondContact O-N 3.42Å; C376-E378 VanDerWaalsContact C-N 3.32Å; C376-E378 PolarHBondContact O-N 3.17Å; E378-L380 PolarHBondContact O-N 3.48Å; E378-K381 WeakPolarHBondContact O-CB 3.27Å; E378-K381 PolarHBondContact O-N 3.04Å; E378-K381 IonicContact OE1-NZ 2.88Å; E378-K381 PolarHBondContact OE1-NZ 3.14Å; E378-K381 WeakPolarHBondContact OE2-CE 3.45Å; E378-K381 IonicContact OE2-NZ 3.3Å; E378-K381 PolarHBondContact OE2-NZ 2.77Å
379A86.3Confident85.3Confident13 Ų1383.4 Ų83.411%0.10745%0.452CS..Hα-helixtrans-60.8-33.2176.600000112.4F375 C376 K381 E382 F388 A393F375-A379 WeakPolarHBondContact O-CB 3.27Å; F375-A379 PolarHBondContact O-N 2.69Å; C376-A379 PolarHBondContact O-N 3.04Å; A379-K381 PolarHBondContact O-N 2.9Å; A379-K381 VanDerWaalsContact O-N 3.16Å; A379-E382 WeakPolarHBondContact O-CB 3.42Å; A379-E382 PolarHBondContact O-N 2.91Å; A379-F388 VanDerWaalsContact O-CD2 3.3Å; A379-F388 WeakPolarHBondContact O-CD2 3.39Å; A379-A393 HydrophobicContact CB-CB 3.46Å; A379-A393 VanDerWaalsContact CB-CB 3.46Å
380L85.2Confident85.1Confident129 Ų12986 Ų8668%0.67547%0.472SS*.THydrogen-bonded Turntrans-63.7-14.6174.3-73.8171.1000114.1C376 E378 F388C376-L380 WeakPolarHBondContact O-CG 3.27Å; C376-L380 PolarHBondContact O-N 2.97Å; E378-L380 PolarHBondContact O-N 3.48Å; L380-F388 HydrophobicContact CD2-CE2 4.25Å; L380-F388 HydrophobicContact CD2-CZ 4.36Å
381K89.2Confident84.6Confident128 Ų12882.9 Ų82.956%0.55746%0.457SS*.THydrogen-bonded Turntrans-87.3-6.1175-55.1177-168164.70112.9E378 A379E378-K381 WeakPolarHBondContact O-CB 3.27Å; E378-K381 PolarHBondContact O-N 3.04Å; E378-K381 IonicContact OE1-NZ 2.88Å; E378-K381 PolarHBondContact OE1-NZ 3.14Å; E378-K381 WeakPolarHBondContact OE2-CE 3.45Å; E378-K381 IonicContact OE2-NZ 3.3Å; E378-K381 PolarHBondContact OE2-NZ 2.77Å; A379-K381 PolarHBondContact O-N 2.9Å; A379-K381 VanDerWaalsContact O-N 3.16Å
382E87.6Confident83.9Confident98 Ų9888.2 Ų88.246%0.45847%0.473SS..  trans-67130.8179.2-174.750-112.800110.9A379 D384 A387 F388A379-E382 WeakPolarHBondContact O-CB 3.42Å; A379-E382 PolarHBondContact O-N 2.91Å; E382-D384 PolarHBondContact OE1-N 3.46Å; E382-A387 HydrophobicContact CG-CB 3.7Å; E382-F388 HydrophobicContact CB-CB 4.27Å; E382-F388 HydrophobicContact CB-CD2 4.41Å; E382-F388 HydrophobicContact CG-CB 4.13Å
383V86.4Confident83.1Confident132 Ų13285.9 Ų85.980%0.846%0.463SS*.  trans-97.8-26.3-173.1-169.50000110.9P385V383-P385 WeakPolarHBondContact O-CD 3.46Å
384D88.2Confident82.1Confident74 Ų7485.3 Ų85.340%0.39647%0.466SS..  trans-80.7116.4175.3173.628.5000111.1E382 V386 A387 F388E382-D384 PolarHBondContact OE1-N 3.46Å; D384-V386 PolarHBondContact O-N 2.81Å; D384-V386 PolarHBondContact OD1-N 3.49Å; D384-V386 VanDerWaalsContact OD1-N 3.08Å; D384-A387 HydrophobicContact CB-CB 3.85Å; D384-A387 PolarHBondContact O-N 3.28Å; D384-A387 WeakPolarHBondContact OD2-CB 3.37Å; D384-A387 PolarHBondContact OD2-N 3.29Å; D384-F388 PolarHBondContact O-N 3.25Å
385P82.9Confident81.2Confident89 Ų8987.6 Ų87.658%0.57847%0.474SS*.Hα-helixtrans-58.9-30.1178.2-22.833.7000113.4V383 L389V383-P385 WeakPolarHBondContact O-CD 3.46Å; P385-L389 VanDerWaalsContact O-CB 3.31Å; P385-L389 WeakPolarHBondContact O-CB 3.22Å; P385-L389 WeakPolarHBondContact O-CD1 3.41Å; P385-L389 VanDerWaalsContact O-CG 3.23Å; P385-L389 WeakPolarHBondContact O-CG 3.36Å; P385-L389 PolarHBondContact O-N 2.89Å
386V85.1Confident80.5Confident107 Ų10786.1 Ų86.165%0.64847%0.472SS*.Hα-helixtrans-72.4-48.2178.3-179.50000110.1D384 F388 L389 S390D384-V386 PolarHBondContact O-N 2.81Å; D384-V386 PolarHBondContact OD1-N 3.49Å; D384-V386 VanDerWaalsContact OD1-N 3.08Å; V386-F388 PolarHBondContact O-N 3.14Å; V386-L389 PolarHBondContact O-N 2.66Å; V386-S390 WeakPolarHBondContact O-CB 3.31Å; V386-S390 PolarHBondContact O-N 3.49Å; V386-S390 PolarHBondContact O-OG 2.74Å
387A82.7Confident79.7Confident31 Ų3188.5 Ų88.526%0.25649%0.489SS..Hα-helixtrans-57.6-45.7173.500000112E382 D384 S390 S391E382-A387 HydrophobicContact CG-CB 3.7Å; D384-A387 HydrophobicContact CB-CB 3.85Å; D384-A387 PolarHBondContact O-N 3.28Å; D384-A387 WeakPolarHBondContact OD2-CB 3.37Å; D384-A387 PolarHBondContact OD2-N 3.29Å; A387-S390 WeakPolarHBondContact CA-OG 3.36Å; A387-S390 PolarHBondContact O-N 2.9Å; A387-S390 PolarHBondContact O-OG 2.81Å; A387-S391 PolarHBondContact O-N 3.49Å; A387-S391 VanDerWaalsContact O-N 3.12Å
388F85.7Confident78.7Confident65 Ų6590 Ų9029%0.28551%0.505SS..Hα-helixtrans-61.3-48.9178179.6-103.2000112.4A379 L380 E382 D384 V386 S390 S391A379-F388 VanDerWaalsContact O-CD2 3.3Å; A379-F388 WeakPolarHBondContact O-CD2 3.39Å; L380-F388 HydrophobicContact CD2-CE2 4.25Å; L380-F388 HydrophobicContact CD2-CZ 4.36Å; E382-F388 HydrophobicContact CB-CB 4.27Å; E382-F388 HydrophobicContact CB-CD2 4.41Å; E382-F388 HydrophobicContact CG-CB 4.13Å; D384-F388 PolarHBondContact O-N 3.25Å; V386-F388 PolarHBondContact O-N 3.14Å; F388-S390 VanDerWaalsContact C-N 3.25Å; F388-S390 PolarHBondContact O-N 3.22Å; F388-S391 WeakPolarHBondContact O-CB 3.36Å; F388-S391 PolarHBondContact O-N 2.92Å; F388-S391 VanDerWaalsContact O-N 3.08Å; F388-S391 PolarHBondContact O-OG 3.19Å
389L80.3Confident77.7Confident128 Ų12891.7 Ų91.767%0.6752%0.518SS*.Hα-helixtrans-67.5-25.5178.8-72.7171.3000113P385 V386 S391P385-L389 VanDerWaalsContact O-CB 3.31Å; P385-L389 WeakPolarHBondContact O-CB 3.22Å; P385-L389 WeakPolarHBondContact O-CD1 3.41Å; P385-L389 VanDerWaalsContact O-CG 3.23Å; P385-L389 WeakPolarHBondContact O-CG 3.36Å; P385-L389 PolarHBondContact O-N 2.89Å; V386-L389 PolarHBondContact O-N 2.66Å; L389-S391 VanDerWaalsContact C-N 3.32Å
390S78.2Confident76.7Confident95 Ų9595.5 Ų95.566%0.66453%0.532SS*.Hα-helixtrans-78.2-15.8173.4760000113.6V386 A387 F388V386-S390 WeakPolarHBondContact O-CB 3.31Å; V386-S390 PolarHBondContact O-N 3.49Å; V386-S390 PolarHBondContact O-OG 2.74Å; A387-S390 WeakPolarHBondContact CA-OG 3.36Å; A387-S390 PolarHBondContact O-N 2.9Å; A387-S390 PolarHBondContact O-OG 2.81Å; F388-S390 VanDerWaalsContact C-N 3.25Å; F388-S390 PolarHBondContact O-N 3.22Å
391S75.3Confident75.7Confident23 Ų2394.8 Ų94.816%0.16153%0.529CS..SBendtrans-72.3146.1178.6800000111.7A387 F388 L389 A393 A394A387-S391 PolarHBondContact O-N 3.49Å; A387-S391 VanDerWaalsContact O-N 3.12Å; F388-S391 WeakPolarHBondContact O-CB 3.36Å; F388-S391 PolarHBondContact O-N 2.92Å; F388-S391 VanDerWaalsContact O-N 3.08Å; F388-S391 PolarHBondContact O-OG 3.19Å; L389-S391 VanDerWaalsContact C-N 3.32Å; S391-A393 PolarHBondContact O-N 3.06Å; S391-A393 VanDerWaalsContact O-N 3.12Å; S391-A393 WeakPolarHBondContact OG-CB 3.45Å; S391-A394 PolarHBondContact O-N 3.16Å
392E70.1Confident74.7Confident147 Ų14792.3 Ų92.369%0.68752%0.521SS*.G310 helixtrans-65.6-11.8174.8-66.5-169.3154.600113F375 A394 K395F375-E392 HydrophobicContact CE1-CB 4.3Å; E392-A394 PolarHBondContact O-N 2.97Å; E392-K395 PolarHBondContact O-N 2.76Å
393A68.5Low73.6Confident19 Ų1992.5 Ų92.516%0.15753%0.529CS..G310 helixtrans-61.8-28.5179.100000112.4F375 A379 S391 K395F375-A393 HydrophobicContact CD1-CB 4.42Å; F375-A393 HydrophobicContact CE1-CB 4.02Å; A379-A393 HydrophobicContact CB-CB 3.46Å; A379-A393 VanDerWaalsContact CB-CB 3.46Å; S391-A393 PolarHBondContact O-N 3.06Å; S391-A393 VanDerWaalsContact O-N 3.12Å; S391-A393 WeakPolarHBondContact OG-CB 3.45Å; A393-K395 PolarHBondContact O-N 2.74Å
394A61.4Low72.8Confident62 Ų6290.4 Ų90.451%0.51251%0.513SS..G310 helixtrans-71.1-8.9177.400000114.1S391 E392S391-A394 PolarHBondContact O-N 3.16Å; E392-A394 PolarHBondContact O-N 2.97Å
395K67.9Low71.8Confident181 Ų18190.8 Ų90.879%0.78752%0.515SS*.G310 helixtrans-114.69-175.1-62.9178.1-176.3169.80113.7E392 A393 S397E392-K395 PolarHBondContact O-N 2.76Å; A393-K395 PolarHBondContact O-N 2.74Å; K395-S397 PolarHBondContact O-N 3.31Å
396V69.9Low71.2Confident61 Ų6191.7 Ų91.737%0.3751%0.514SS..  trans-74.2123.1-175.7177.80000110.8L372 C376L372-V396 HydrophobicContact CD1-CG2 3.98Å; L372-V396 HydrophobicContact CD2-CG1 3.77Å; L372-V396 HydrophobicContact CD2-CG2 3.96Å; L372-V396 HydrophobicContact CG-CG1 4.32Å; L372-V396 HydrophobicContact CG-CG2 4.04Å; C376-V396 VanDerWaalsContact SG-CG2 3.54Å
397S69.9Low70.7Confident75 Ų7590 Ų9052%0.52451%0.507SS..  trans-78.1139.9174-175.30000110.6K395 D399K395-S397 PolarHBondContact O-N 3.31Å; S397-D399 PolarHBondContact O-N 3.2Å; S397-D399 PolarHBondContact OG-N 3.45Å
398P65.8Low69.9Low123 Ų12390.6 Ų90.680%0.79951%0.512SS*.  trans-76.2-7.5173.531.8-35000113.8F400P398-F400 PolarHBondContact O-N 3.28Å
399D66.2Low68.9Low146 Ų14688.6 Ų88.678%0.78151%0.505SS*.  trans-75.3117-176.5-72.9-25.5000111.6S397S397-D399 PolarHBondContact O-N 3.2Å; S397-D399 PolarHBondContact OG-N 3.45Å
400F64.5Low68.4Low93 Ų9385.1 Ų85.141%0.40849%0.489SS..  trans-134.8106.2177.6179.5-104.9000108.8L365 L366 T369 P398 L402L365-F400 HydrophobicContact CG-CE2 4.47Å; L366-F400 HydrophobicContact CD1-CE1 4.26Å; L366-F400 HydrophobicContact CD1-CZ 3.63Å; T369-F400 HydrophobicContact CG2-CD2 3.93Å; T369-F400 HydrophobicContact CG2-CE2 4.03Å; T369-F400 WeakPolarHBondContact OG1-CE2 3.34Å; P398-F400 PolarHBondContact O-N 3.28Å; F400-L402 HydrophobicContact CD1-CD1 4.48Å; F400-L402 HydrophobicContact CE1-CD1 3.32Å; F400-L402 HydrophobicContact CE1-CG 3.64Å; F400-L402 HydrophobicContact CE2-CG 4.38Å; F400-L402 HydrophobicContact CZ-CD1 3.38Å; F400-L402 HydrophobicContact CZ-CD2 4.32Å; F400-L402 HydrophobicContact CZ-CG 3.55Å
401D63.8Low67.9Low113 Ų11386.5 Ų86.560%0.60448%0.483SS*.  trans-111.8123.2176-168.222.9000111.1T403D401-T403 VanDerWaalsContact OD1-CG2 3.27Å; D401-T403 WeakPolarHBondContact OD1-CG2 3.32Å; D401-T403 WeakPolarHBondContact OD2-CG2 3.14Å; D401-T403 PolarHBondContact OD2-OG1 3.33Å
402L68.4Low67.2Low76 Ų7687.8 Ų87.840%0.39850%0.495SS..  trans-114.473.3174.3-87.6172.6000107.7C362 L366 F400C362-L402 HydrophobicContact CB-CD2 3.59Å; L366-L402 HydrophobicContact CD1-CD1 4.44Å; F400-L402 HydrophobicContact CD1-CD1 4.48Å; F400-L402 HydrophobicContact CE1-CD1 3.32Å; F400-L402 HydrophobicContact CE1-CG 3.64Å; F400-L402 HydrophobicContact CE2-CG 4.38Å; F400-L402 HydrophobicContact CZ-CD1 3.38Å; F400-L402 HydrophobicContact CZ-CD2 4.32Å; F400-L402 HydrophobicContact CZ-CG 3.55Å
403T65.6Low66.9Low102 Ų10286 Ų8663%0.62649%0.489SS*.  trans-98.3120.8175.337.40000110.5D401D401-T403 VanDerWaalsContact OD1-CG2 3.27Å; D401-T403 WeakPolarHBondContact OD1-CG2 3.32Å; D401-T403 WeakPolarHBondContact OD2-CG2 3.14Å; D401-T403 PolarHBondContact OD2-OG1 3.33Å
404L68.2Low66.6Low88 Ų8892.2 Ų92.246%0.46152%0.515SS..  trans-86.3118.2168.9-70.7170.6000108.5Q358 I406Q358-L404 HydrophobicContact CB-CD2 3.76Å; L404-I406 PolarHBondContact O-N 3.31Å
405D67.3Low66.5Low83 Ų8395.5 Ų95.544%0.44452%0.52SS..  trans-81.8102.2177.7179.319.3000110.9Q358 S407Q358-D405 PolarHBondContact NE2-O 2.58Å; Q358-D405 PolarHBondContact OE1-O 3.31Å; D405-S407 VanDerWaalsContact CG-OG 3.32Å; D405-S407 WeakPolarHBondContact OD1-CB 3.29Å; D405-S407 PolarHBondContact OD1-N 2.94Å; D405-S407 PolarHBondContact OD1-OG 3.09Å; D405-S407 PolarHBondContact OD2-OG 2.85Å
406I71.1Confident66.1Low108 Ų10889.3 Ų89.355%0.55450%0.495SS*.  trans-86.9-7.5174.161.6170.1000113.1L404 A408 V409 T410L404-I406 PolarHBondContact O-N 3.31Å; I406-A408 VanDerWaalsContact C-N 3.3Å; I406-A408 PolarHBondContact O-N 2.87Å; I406-V409 PolarHBondContact O-N 2.83Å; I406-T410 PolarHBondContact O-N 2.68Å; I406-T410 PolarHBondContact O-OG1 2.94Å; I406-T410 VanDerWaalsContact O-OG1 3.11Å
407S74.5Confident65.4Low71 Ų7191.9 Ų91.950%0.49751%0.506SS..Hα-helixtrans-62.1-37.5-172.371.80000112.4D405 V409 T410 K411D405-S407 VanDerWaalsContact CG-OG 3.32Å; D405-S407 WeakPolarHBondContact OD1-CB 3.29Å; D405-S407 PolarHBondContact OD1-N 2.94Å; D405-S407 PolarHBondContact OD1-OG 3.09Å; D405-S407 PolarHBondContact OD2-OG 2.85Å; S407-V409 VanDerWaalsContact C-N 3.34Å; S407-V409 PolarHBondContact O-N 2.86Å; S407-T410 PolarHBondContact O-N 3.09Å; S407-K411 VanDerWaalsContact O-CB 3.25Å; S407-K411 WeakPolarHBondContact O-CB 3.44Å; S407-K411 PolarHBondContact O-N 3.24Å
408A65.8Low64.8Low44 Ų4494.2 Ų94.236%0.36451%0.508SS..Hα-helixtrans-64.3-38.317600000112.4L354 I406 A412L354-A408 HydrophobicContact CD2-CB 3.93Å; I406-A408 VanDerWaalsContact C-N 3.3Å; I406-A408 PolarHBondContact O-N 2.87Å; A408-A412 WeakPolarHBondContact O-CB 3.18Å; A408-A412 PolarHBondContact O-N 2.8Å
409V65.3Low64.3Low22 Ų2291 Ų9113%0.13349%0.485CS..Hα-helixtrans-71.4-45.2177.21800000110.3L354 L355 I406 S407 K411 A412 I413L354-V409 HydrophobicContact CD2-CG2 4.01Å; L355-V409 HydrophobicContact CD1-CG2 4.1Å; I406-V409 PolarHBondContact O-N 2.83Å; S407-V409 VanDerWaalsContact C-N 3.34Å; S407-V409 PolarHBondContact O-N 2.86Å; V409-K411 PolarHBondContact O-N 3.31Å; V409-A412 PolarHBondContact O-N 3.2Å; V409-I413 HydrophobicContact CG1-CD1 3.99Å; V409-I413 WeakPolarHBondContact O-CG1 3.36Å; V409-I413 PolarHBondContact O-N 3.12Å
410T68.9Low63.7Low56 Ų5689.2 Ų89.234%0.34447%0.472SS..Hα-helixtrans-59.7-45.9176.4-53.80000111.2I406 S407 A412 I413 E414I406-T410 PolarHBondContact O-N 2.68Å; I406-T410 PolarHBondContact O-OG1 2.94Å; I406-T410 VanDerWaalsContact O-OG1 3.11Å; S407-T410 PolarHBondContact O-N 3.09Å; T410-A412 VanDerWaalsContact C-N 3.33Å; T410-A412 PolarHBondContact O-N 3.08Å; T410-I413 PolarHBondContact O-N 3.27Å; T410-I413 VanDerWaalsContact O-N 3.14Å; T410-E414 HydrophobicContact CG2-CG 4.41Å; T410-E414 WeakPolarHBondContact O-CG 3.48Å; T410-E414 PolarHBondContact O-N 2.64Å
411K67Low63.6Low124 Ų12491.1 Ų91.154%0.53948%0.484SS..Hα-helixtrans-62.8-38.6177.1-169.3175.4-177.1178.70112.2S407 V409 I413 E414 Q415S407-K411 VanDerWaalsContact O-CB 3.25Å; S407-K411 WeakPolarHBondContact O-CB 3.44Å; S407-K411 PolarHBondContact O-N 3.24Å; V409-K411 PolarHBondContact O-N 3.31Å; K411-I413 VanDerWaalsContact C-N 3.34Å; K411-E414 PolarHBondContact O-N 2.99Å; K411-Q415 HydrophobicContact CG-CG 4.47Å; K411-Q415 VanDerWaalsContact O-CB 3.29Å; K411-Q415 WeakPolarHBondContact O-CB 3.43Å; K411-Q415 WeakPolarHBondContact O-CG 3.21Å; K411-Q415 PolarHBondContact O-N 3.09Å
412A62.1Low63.7Low50 Ų5092.5 Ų92.541%0.41349%0.485SS..Hα-helixtrans-66.5-34.7175.200000112.6A408 V409 T410A408-A412 WeakPolarHBondContact O-CB 3.18Å; A408-A412 PolarHBondContact O-N 2.8Å; V409-A412 PolarHBondContact O-N 3.2Å; T410-A412 VanDerWaalsContact C-N 3.33Å; T410-A412 PolarHBondContact O-N 3.08Å
413I62.9Low64.2Low108 Ų10892 Ų9255%0.55449%0.485SS*.Hα-helixtrans-70.2-44.7174-67.7166.8000110.7V409 T410 K411 Q415 L416V409-I413 HydrophobicContact CG1-CD1 3.99Å; V409-I413 WeakPolarHBondContact O-CG1 3.36Å; V409-I413 PolarHBondContact O-N 3.12Å; T410-I413 PolarHBondContact O-N 3.27Å; T410-I413 VanDerWaalsContact O-N 3.14Å; K411-I413 VanDerWaalsContact C-N 3.34Å; I413-Q415 VanDerWaalsContact C-N 3.28Å; I413-Q415 PolarHBondContact O-N 3.18Å; I413-L416 VanDerWaalsContact O-CB 3.27Å; I413-L416 WeakPolarHBondContact O-CB 3.41Å; I413-L416 PolarHBondContact O-N 3.08Å
414E61.2Low65.2Low150 Ų15087.4 Ų87.470%0.70146%0.457SS*.Hα-helixtrans-66.9-29.2179.5-72.8174.2174.200112.9T410 K411 L416T410-E414 HydrophobicContact CG2-CG 4.41Å; T410-E414 WeakPolarHBondContact O-CG 3.48Å; T410-E414 PolarHBondContact O-N 2.64Å; K411-E414 PolarHBondContact O-N 2.99Å; E414-L416 VanDerWaalsContact C-N 3.28Å; E414-L416 PolarHBondContact O-N 2.77Å
415Q60.7Low66.1Low131 Ų13184.5 Ų84.561%0.61245%0.448SS*.THydrogen-bonded Turntrans-82.50.3176.3-71-178.5-10.800113.8K411 I413 N417K411-Q415 HydrophobicContact CG-CG 4.47Å; K411-Q415 VanDerWaalsContact O-CB 3.29Å; K411-Q415 WeakPolarHBondContact O-CB 3.43Å; K411-Q415 WeakPolarHBondContact O-CG 3.21Å; K411-Q415 PolarHBondContact O-N 3.09Å; I413-Q415 VanDerWaalsContact C-N 3.28Å; I413-Q415 PolarHBondContact O-N 3.18Å; Q415-N417 PolarHBondContact O-N 3.01Å
416L59.2Low67.2Low52 Ų5283.2 Ų83.227%0.27245%0.445SS..  trans-68.195.7169.1-76.2166.7000109.8M349 I413 E414 F418M349-L416 HydrophobicContact CE-CD1 3.92Å; M349-L416 HydrophobicContact CE-CD2 3.51Å; M349-L416 HydrophobicContact CE-CG 3.99Å; M349-L416 HydrophobicContact SD-CD1 3.94Å; M349-L416 HydrophobicContact SD-CD2 4.11Å; I413-L416 VanDerWaalsContact O-CB 3.27Å; I413-L416 WeakPolarHBondContact O-CB 3.41Å; I413-L416 PolarHBondContact O-N 3.08Å; E414-L416 VanDerWaalsContact C-N 3.28Å; E414-L416 PolarHBondContact O-N 2.77Å; L416-F418 PolarHBondContact O-N 2.87Å
417N54.6Low68.4Low114 Ų11478.1 Ų78.161%0.6142%0.418SS*.  trans-88.5103.8175.363-10.7000111.1Q415 V419Q415-N417 PolarHBondContact O-N 3.01Å; N417-V419 HydrophobicContact CB-CG2 4.27Å; N417-V419 PolarHBondContact O-N 3.31Å
418F57.6Low69.3Low125 Ų12577.8 Ų77.855%0.54841%0.414SS..  trans-70.580.7157.4-61.5-85.9000107.9L416 Q420 M421L416-F418 PolarHBondContact O-N 2.87Å; F418-Q420 PolarHBondContact O-N 3.14Å; F418-M421 HydrophobicContact CB-CB 4.4Å; F418-M421 HydrophobicContact CB-CG 4.22Å; F418-M421 PolarHBondContact O-N 2.74Å
419V55.8Low70.8Confident55 Ų5576.6 Ų76.633%0.33340%0.401SS..G310 helixtrans-51.6-23.6178.8178.90000111.6N417 M421N417-V419 HydrophobicContact CB-CG2 4.27Å; N417-V419 PolarHBondContact O-N 3.31Å; V419-M421 PolarHBondContact O-N 2.87Å
420Q53.5Low72.2Confident108 Ų10877.2 Ų77.251%0.50540%0.403SS..G310 helixtrans-76.8-8178.8-67.8173.5-22.500115.7F418F418-Q420 PolarHBondContact O-N 3.14Å
421M61.7Low73.4Confident134 Ų13478.4 Ų78.466%0.6641%0.41SS*.G310 helixtrans-114.720.6-177.3-62.2-162.387.700114.5F418 V419F418-M421 HydrophobicContact CB-CB 4.4Å; F418-M421 HydrophobicContact CB-CG 4.22Å; F418-M421 PolarHBondContact O-N 2.74Å; V419-M421 PolarHBondContact O-N 2.87Å
422K66.6Low74.6Confident142 Ų14280 Ų8062%0.61742%0.42SS*.SBendtrans-120.1146.3177.1-66.6-175.2179.2-178.20110.4N499K422-N499 PolarHBondContact O-ND2 3.13Å
423V78.4Confident76.1Confident65 Ų6583.4 Ų83.439%0.39443%0.427SS..PPolyproline II helixtrans-53.6139.9167177.40000109I501 D503V423-I501 HydrophobicContact CG2-CB 4.47Å; V423-I501 HydrophobicContact CG2-CG2 3.87Å; V423-D503 WeakPolarHBondContact CG1-O 3.46Å
424P86.1Confident77.6Confident6 Ų679.4 Ų79.44%0.03941%0.409CS..PPolyproline II helixtrans-59.7150.2-178.7-26.437.7000113.6V453 A497 N499 G502 G504P424-V453 HydrophobicContact CB-CG2 4.17Å; P424-A497 HydrophobicContact CB-CB 3.6Å; P424-A497 HydrophobicContact CG-CB 4.27Å; P424-N499 WeakPolarHBondContact CD-ND2 3.5Å; P424-N499 HydrophobicContact CG-CB 4.05Å; P424-G502 WeakPolarHBondContact CD-O 3.16Å; P424-G504 VanDerWaalsContact O-CA 3.25Å; P424-G504 WeakPolarHBondContact O-CA 3.34Å
425G87.4Confident79.1Confident26 Ų2673.9 Ų73.927%0.26839%0.386SS..PPolyproline II helixtrans-69.5173168.400000112.9P427 P448 S451G425-P427 WeakPolarHBondContact O-CD 3.39Å; G425-P448 VanDerWaalsContact C-CG 3.45Å; G425-P448 WeakPolarHBondContact O-CG 3.49Å; G425-S451 PolarHBondContact N-OG 2.99Å
426C91.7Very high80.5Confident56 Ų5669.1 Ų69.138%0.37837%0.369SS..PPolyproline II helixtrans-67.6120.4177.7-179.30000111.2D505 Y506 S507C426-D505 HydrophobicContact CB-CB 4.46Å; C426-Y506 PolarHBondContact SG-O 3.21Å; C426-S507 WeakPolarHBondContact SG-CA 3.48Å
427P95Very high81.9Confident1 Ų172.6 Ų72.61%0.00638%0.384CS..PPolyproline II helixtrans-67.8155.617229.2-35.4000111.6G425 Y456 V495 A497 S507G425-P427 WeakPolarHBondContact O-CD 3.39Å; P427-Y456 HydrophobicContact CB-CD1 4.34Å; P427-Y456 HydrophobicContact CB-CE1 4.17Å; P427-V495 HydrophobicContact CB-CG1 4.23Å; P427-V495 HydrophobicContact CG-CB 4.43Å; P427-V495 HydrophobicContact CG-CG1 3.86Å; P427-V495 HydrophobicContact CG-CG2 4.21Å; P427-V495 VanDerWaalsContact CG-O 3.23Å; P427-V495 WeakPolarHBondContact CG-O 3.46Å; P427-A497 HydrophobicContact CG-CB 4.45Å; P427-S507 WeakPolarHBondContact O-CB 3.46Å
428V95Very high83.5Confident65 Ų6568.8 Ų68.839%0.39436%0.364SS..EExtended strand (participates in β ladder)trans-113.7118.2-178.6-179.40000109.7W445 R446V428-W445 CarbonylContact O-C 3.54Å; V428-W445 WeakPolarHBondContact O-CA 3.28Å; V428-W445 WeakPolarHBondContact O-CB 3.48Å; V428-R446 HydrophobicContact CB-CG 3.86Å; V428-R446 PolarHBondContact N-O 2.77Å; V428-R446 PolarHBondContact O-N 2.95Å
429I96.3Very high85Confident18 Ų1863.8 Ų63.89%0.09234%0.343CS..EExtended strand (participates in β ladder)trans-69.7130.6172.3-63.6179.4000109.2T431 C434 I443 A444 W445 V495 S507 I510I429-T431 PolarHBondContact O-N 3.46Å; I429-C434 VanDerWaalsContact CG2-SG 3.6Å; I429-I443 HydrophobicContact CD1-CG2 4.3Å; I429-I443 HydrophobicContact CG2-CG2 4.11Å; I429-A444 CarbonylContact C-O 3.46Å; I429-A444 WeakPolarHBondContact CA-O 3.46Å; I429-A444 WeakPolarHBondContact CG2-O 3.29Å; I429-W445 HydrophobicContact CG1-CB 4.39Å; I429-V495 HydrophobicContact CD1-CG1 4.06Å; I429-V495 HydrophobicContact CG1-CG1 3.65Å; I429-S507 VanDerWaalsContact CD1-OG 3.28Å; I429-S507 WeakPolarHBondContact CD1-OG 3.45Å; I429-I510 HydrophobicContact CB-CG2 4.23Å; I429-I510 HydrophobicContact CD1-CD1 4.42Å; I429-I510 HydrophobicContact CD1-CG1 3.98Å; I429-I510 HydrophobicContact CD1-CG2 4.1Å; I429-I510 HydrophobicContact CG2-CD1 3.88Å; I429-I510 HydrophobicContact CG2-CG1 4.34Å; I429-I510 HydrophobicContact CG2-CG2 3.85Å
430I95.5Very high86.7Confident36 Ų3662.6 Ų62.619%0.18534%0.337CS..  trans-94.289.7178.7-51.8172.3000107.3E432 Q433 C434 A444 R446I430-E432 VanDerWaalsContact CG2-OE2 3.24Å; I430-E432 WeakPolarHBondContact CG2-OE2 3.46Å; I430-E432 PolarHBondContact O-N 3.36Å; I430-E432 VanDerWaalsContact O-N 3.12Å; I430-Q433 HydrophobicContact CB-CB 4.33Å; I430-Q433 HydrophobicContact CB-CG 4.48Å; I430-Q433 HydrophobicContact CG2-CB 4.1Å; I430-Q433 HydrophobicContact CG2-CG 3.81Å; I430-Q433 PolarHBondContact O-N 2.9Å; I430-C434 PolarHBondContact O-N 2.88Å; I430-C434 PolarHBondContact O-SG 3.03Å; I430-C434 VanDerWaalsContact O-SG 3.35Å; I430-A444 PolarHBondContact N-O 2.97Å; I430-R446 HydrophobicContact CD1-CB 4.15Å; I430-R446 HydrophobicContact CD1-CG 4.48Å; I430-R446 HydrophobicContact CG1-CB 4.49Å; I430-R446 HydrophobicContact CG1-CG 4.34Å
431T92.6Very high88.6Confident81 Ų8157.6 Ų57.650%0.49731%0.314SS..G310 helixtrans-58.1-28.6-173.441.50000113.7I429 Q433 C434 I510I429-T431 PolarHBondContact O-N 3.46Å; T431-Q433 PolarHBondContact O-N 3.2Å; T431-C434 PolarHBondContact O-N 2.85Å; T431-I510 HydrophobicContact CG2-CG2 3.87Å
432E92.2Very high90.2Very high158 Ų15852.7 Ų52.774%0.73829%0.291SS*.G310 helixtrans-71.8-18.2179-51.980.2-170.800113.3I430I430-E432 VanDerWaalsContact CG2-OE2 3.24Å; I430-E432 WeakPolarHBondContact CG2-OE2 3.46Å; I430-E432 PolarHBondContact O-N 3.36Å; I430-E432 VanDerWaalsContact O-N 3.12Å
433Q93.6Very high91.7Very high120 Ų12045.9 Ų45.956%0.56126%0.262SS*.G310 helixtrans-104.2-2.8177.6-66.7-179.910.700112.2I430 T431 A444I430-Q433 HydrophobicContact CB-CB 4.33Å; I430-Q433 HydrophobicContact CB-CG 4.48Å; I430-Q433 HydrophobicContact CG2-CB 4.1Å; I430-Q433 HydrophobicContact CG2-CG 3.81Å; I430-Q433 PolarHBondContact O-N 2.9Å; T431-Q433 PolarHBondContact O-N 3.2Å; Q433-A444 HydrophobicContact CB-CB 3.61Å
434C94.4Very high92.6Very high25 Ų2542.9 Ų42.917%0.16924%0.244CC..  trans-83.3138.5172.6-61.70000109.9I429 I430 T431 T442 A444 I510I429-C434 VanDerWaalsContact CG2-SG 3.6Å; I430-C434 PolarHBondContact O-N 2.88Å; I430-C434 PolarHBondContact O-SG 3.03Å; I430-C434 VanDerWaalsContact O-SG 3.35Å; T431-C434 PolarHBondContact O-N 2.85Å; C434-T442 CarbonylContact C-O 3.5Å; C434-T442 WeakPolarHBondContact CA-O 3.18Å; C434-T442 WeakPolarHBondContact CB-O 3.45Å; C434-A444 PolarHBondContact SG-N 3.35Å; C434-I510 HydrophobicContact CB-CD1 4.4Å
435S92.9Very high93.1Very high33 Ų3342.8 Ų42.823%0.23124%0.243CC..EExtended strand (participates in β ladder)trans-133.7152.8173.270.20000110.9E437 A441 T442S435-E437 PolarHBondContact OG-OE1 2.72Å; S435-A441 CarbonylContact O-C 3.51Å; S435-A441 VanDerWaalsContact O-CA 3.25Å; S435-A441 WeakPolarHBondContact O-CA 3.21Å; S435-T442 PolarHBondContact N-O 2.8Å; S435-T442 PolarHBondContact O-N 3.24Å
436A91.2Very high93.5Very high31 Ų3147.7 Ų47.726%0.25625%0.253SS..EExtended strand (participates in β ladder)trans-124.9112.9168.700000107.2S440 A441 Q513A436-S440 CarbonylContact C-O 3.6Å; A436-S440 WeakPolarHBondContact CA-O 3.29Å; A436-A441 HydrophobicContact CB-CB 4.41Å; A436-Q513 VanDerWaalsContact CB-O 3.26Å; A436-Q513 WeakPolarHBondContact CB-O 3.2Å
437E87.4Confident93.4Very high125 Ų12547.2 Ų47.258%0.58425%0.254SS*.EExtended strand (participates in β ladder)trans-126.6117.8-173.3-69.1178.3-149.700108.5S435 N439 S440S435-E437 PolarHBondContact OG-OE1 2.72Å; E437-N439 PolarHBondContact O-N 2.84Å; E437-N439 VanDerWaalsContact O-N 3.12Å; E437-S440 PolarHBondContact N-O 3.16Å; E437-S440 PolarHBondContact O-N 3.1Å; E437-S440 VanDerWaalsContact O-O 3.13Å; E437-S440 PolarHBondContact O-OG 3.39Å
438N88.5Confident93Very high35 Ų3548.2 Ų48.219%0.18726%0.26CS..THydrogen-bonded Turntrans57.4-113.7-178.3-156.640.6000111.7F487 T514 A515 W519N438-F487 HydrophobicContact CB-CE1 4.4Å; N438-F487 WeakPolarHBondContact OD1-CE1 3.35Å; N438-T514 WeakPolarHBondContact O-CB 3.42Å; N438-A515 PolarHBondContact O-N 3.06Å; N438-W519 PolarHBondContact ND2-O 2.92Å; N438-W519 PolarHBondContact OD1-N 3.35Å; N438-W519 PolarHBondContact OD1-O 2.96Å
439N89Confident92.1Very high20 Ų2053.8 Ų53.811%0.10728%0.282CS..THydrogen-bonded Turntrans-10622.1173.965-27000113.4E437 N484 L485 F487E437-N439 PolarHBondContact O-N 2.84Å; E437-N439 VanDerWaalsContact O-N 3.12Å; N439-N484 PolarHBondContact O-N 3.23Å; N439-L485 VanDerWaalsContact CB-O 3.26Å; N439-L485 WeakPolarHBondContact CB-O 3.43Å; N439-L485 WeakPolarHBondContact O-CB 3.27Å; N439-L485 PolarHBondContact O-N 2.96Å; N439-F487 HydrophobicContact CB-CD2 4.36Å; N439-F487 HydrophobicContact CB-CE1 3.89Å; N439-F487 HydrophobicContact CB-CE2 3.75Å; N439-F487 HydrophobicContact CB-CZ 3.49Å; N439-F487 VanDerWaalsContact CB-CZ 3.49Å
440S91.8Very high90.8Very high30 Ų3057.5 Ų57.521%0.2131%0.309CS..EExtended strand (participates in β ladder)trans-124.5152.2177.869.40000110.6A436 E437 V482A436-S440 CarbonylContact C-O 3.6Å; A436-S440 WeakPolarHBondContact CA-O 3.29Å; E437-S440 PolarHBondContact N-O 3.16Å; E437-S440 PolarHBondContact O-N 3.1Å; E437-S440 VanDerWaalsContact O-O 3.13Å; E437-S440 PolarHBondContact O-OG 3.39Å; S440-V482 CarbonylContact C-O 3.33Å; S440-V482 VanDerWaalsContact CA-O 3.23Å; S440-V482 WeakPolarHBondContact CA-O 3.41Å
441A93.7Very high89.8Confident2 Ų257.4 Ų57.42%0.01731%0.312CS..EExtended strand (participates in β ladder)trans-136.2128.617100000110.5S435 A436 I443 S481 V482 L485 L512S435-A441 CarbonylContact O-C 3.51Å; S435-A441 VanDerWaalsContact O-CA 3.25Å; S435-A441 WeakPolarHBondContact O-CA 3.21Å; A436-A441 HydrophobicContact CB-CB 4.41Å; A441-I443 HydrophobicContact CB-CD1 4.21Å; A441-I443 WeakPolarHBondContact O-CD1 3.4Å; A441-S481 CarbonylContact O-C 3.58Å; A441-S481 WeakPolarHBondContact O-CA 3.4Å; A441-V482 PolarHBondContact N-O 2.73Å; A441-V482 PolarHBondContact O-N 3.23Å; A441-L485 HydrophobicContact CB-CD1 3.76Å; A441-L512 HydrophobicContact CB-CB 4.43Å; A441-L512 HydrophobicContact CB-CD1 3.9Å; A441-L512 HydrophobicContact CB-CD2 4.47Å; A441-L512 HydrophobicContact CB-CG 4.49Å
442T96Very high89.1Confident31 Ų3157.7 Ų57.719%0.1931%0.306CS..EExtended strand (participates in β ladder)trans-96.5123.8174.6-53.70000108.4C434 S435 V479 W480 S481C434-T442 CarbonylContact C-O 3.5Å; C434-T442 WeakPolarHBondContact CA-O 3.18Å; C434-T442 WeakPolarHBondContact CB-O 3.45Å; S435-T442 PolarHBondContact N-O 2.8Å; S435-T442 PolarHBondContact O-N 3.24Å; T442-V479 HydrophobicContact CG2-CG2 3.76Å; T442-W480 WeakPolarHBondContact CA-O 3.41Å; T442-S481 PolarHBondContact OG1-OG 3.11Å
443I96.9Very high88.7Confident0 Ų051.7 Ų51.70%028%0.28CS..EExtended strand (participates in β ladder)trans-115.7128.7177.5-57.382.6000107.9I429 A441 W445 L458 V479 W480 V482 A493 I510 L512I429-I443 HydrophobicContact CD1-CG2 4.3Å; I429-I443 HydrophobicContact CG2-CG2 4.11Å; A441-I443 HydrophobicContact CB-CD1 4.21Å; A441-I443 WeakPolarHBondContact O-CD1 3.4Å; I443-W445 HydrophobicContact CB-CE3 4.45Å; I443-W445 HydrophobicContact CB-CZ3 4.22Å; I443-W445 HydrophobicContact CG2-CE3 3.98Å; I443-W445 HydrophobicContact CG2-CZ3 4.2Å; I443-W445 WeakPolarHBondContact O-CZ3 3.38Å; I443-L458 HydrophobicContact CB-CD1 4.41Å; I443-L458 HydrophobicContact CB-CD2 4.38Å; I443-L458 HydrophobicContact CD1-CD2 4.29Å; I443-L458 HydrophobicContact CG2-CD1 4.19Å; I443-V479 WeakPolarHBondContact O-CA 3.49Å; I443-W480 PolarHBondContact N-O 3.34Å; I443-W480 PolarHBondContact O-N 3.13Å; I443-V482 HydrophobicContact CD1-CG2 3.94Å; I443-A493 HydrophobicContact CG1-CB 4.17Å; I443-I510 HydrophobicContact CG1-CD1 4.36Å; I443-I510 HydrophobicContact CG2-CD1 4.21Å; I443-L512 HydrophobicContact CD1-CD1 3.75Å; I443-L512 HydrophobicContact CG1-CD1 3.66Å
444A97.4Very high88.3Confident2 Ų249.9 Ų49.92%0.01727%0.272CS..EExtended strand (participates in β ladder)trans-117.1142.6175.200000110.8I429 I430 Q433 C434 T478 V479I429-A444 CarbonylContact C-O 3.46Å; I429-A444 WeakPolarHBondContact CA-O 3.46Å; I429-A444 WeakPolarHBondContact CG2-O 3.29Å; I430-A444 PolarHBondContact N-O 2.97Å; Q433-A444 HydrophobicContact CB-CB 3.61Å; C434-A444 PolarHBondContact SG-N 3.35Å; A444-T478 CarbonylContact C-O 3.6Å; A444-T478 WeakPolarHBondContact CA-O 3Å; A444-V479 HydrophobicContact CB-CB 4.37Å; A444-V479 HydrophobicContact CB-CG2 4.14Å
445W97.3Very high88.3Confident4 Ų448.7 Ų48.72%0.01526%0.264CS..EExtended strand (participates in β ladder)trans-140.4168.6178.556.792.7000111.4V428 I429 I443 Y456 L458 Y473 D477 T478 W480 V495V428-W445 CarbonylContact O-C 3.54Å; V428-W445 WeakPolarHBondContact O-CA 3.28Å; V428-W445 WeakPolarHBondContact O-CB 3.48Å; I429-W445 HydrophobicContact CG1-CB 4.39Å; I443-W445 HydrophobicContact CB-CE3 4.45Å; I443-W445 HydrophobicContact CB-CZ3 4.22Å; I443-W445 HydrophobicContact CG2-CE3 3.98Å; I443-W445 HydrophobicContact CG2-CZ3 4.2Å; I443-W445 WeakPolarHBondContact O-CZ3 3.38Å; W445-Y456 AromaticContact CD1-CD1 3.76Å; W445-Y456 AromaticContact CD1-CE1 3.89Å; W445-Y456 AromaticContact CD1-CG 3.99Å; W445-Y456 HydrophobicContact CZ2-CG 4.43Å; W445-Y456 AromaticContact NE1-CD1 3.4Å; W445-Y456 AromaticContact NE1-CD2 3.39Å; W445-Y456 AromaticContact NE1-CE1 3.86Å; W445-Y456 AromaticContact NE1-CE2 3.86Å; W445-Y456 AromaticContact NE1-CG 3.15Å; W445-L458 HydrophobicContact CH2-CB 4.18Å; W445-L458 HydrophobicContact CH2-CD2 4.11Å; W445-L458 HydrophobicContact CZ3-CD1 4.16Å; W445-L458 HydrophobicContact CZ3-CD2 3.94Å; W445-L458 HydrophobicContact CZ3-CG 4.44Å; W445-Y473 HydrophobicContact CH2-CD1 4.03Å; W445-Y473 HydrophobicContact CH2-CE1 4.39Å; W445-Y473 HydrophobicContact CZ2-CD1 4.04Å; W445-Y473 HydrophobicContact CZ2-CE1 4.07Å; W445-D477 WeakPolarHBondContact CZ2-O 3.27Å; W445-D477 PolarHBondContact NE1-O 3.5Å; W445-T478 PolarHBondContact N-O 3.3Å; W445-T478 WeakPolarHBondContact O-CB 3.41Å; W445-W480 HydrophobicContact CH2-CB 3.7Å; W445-W480 HydrophobicContact CZ3-CB 4.08Å; W445-V495 HydrophobicContact CB-CG1 3.98Å; W445-V495 HydrophobicContact CD2-CB 4.42Å; W445-V495 HydrophobicContact CD2-CG1 4.24Å; W445-V495 HydrophobicContact CD2-CG2 3.97Å; W445-V495 HydrophobicContact CG-CG1 3.99Å; W445-V495 HydrophobicContact CG-CG2 4.16Å; W445-V495 HydrophobicContact CZ2-CG2 4.28Å
446R94.8Very high88.5Confident128 Ų12847.7 Ų47.748%0.48326%0.255SS..EExtended strand (participates in β ladder)trans-123.9153.217359.4180-174.5165.77.9111.7V428 I430V428-R446 HydrophobicContact CB-CG 3.86Å; V428-R446 PolarHBondContact N-O 2.77Å; V428-R446 PolarHBondContact O-N 2.95Å; I430-R446 HydrophobicContact CD1-CB 4.15Å; I430-R446 HydrophobicContact CD1-CG 4.48Å; I430-R446 HydrophobicContact CG1-CB 4.49Å; I430-R446 HydrophobicContact CG1-CG 4.34Å
447A90.8Very high88.8Confident47 Ų4746.6 Ų46.639%0.38825%0.245SC..  trans-63.6151.5175.100000112.2Y456A447-Y456 WeakPolarHBondContact CA-OH 3.4Å; A447-Y456 WeakPolarHBondContact CB-OH 3.47Å
448P84.9Confident89.2Confident21 Ų2140.7 Ų40.714%0.13622%0.217CC..  trans-65.6138.7169.4-12.726.7000111.4G425 S450G425-P448 VanDerWaalsContact C-CG 3.45Å; G425-P448 WeakPolarHBondContact O-CG 3.49Å; P448-S450 PolarHBondContact O-N 3.14Å
449E76.3Confident89.6Confident183 Ų18339.7 Ų39.786%0.85521%0.212SC*.THydrogen-bonded Turntrans-64.3-10.7-171.3-66178.2-179.400115.3
450S69.4Low89.9Confident95 Ų9539 Ų3966%0.66421%0.208SC*.THydrogen-bonded Turntrans-144.335.2-174.8700000114.2P448P448-S450 PolarHBondContact O-N 3.14Å
451S74.4Confident90.1Very high34 Ų3438 Ų3824%0.23820%0.2CC..  trans-133.5142.1-178.1-62.30000112.3G425G425-S451 PolarHBondContact N-OG 2.99Å
452F78.1Confident89.9Confident88 Ų8839.8 Ų39.839%0.38621%0.21SC..  trans-80.9124.6165.4178.8-104.5000109.3E454 N499F452-E454 HydrophobicContact CD1-CG 4.39Å; F452-E454 HydrophobicContact CE1-CG 3.55Å; F452-E454 HydrophobicContact CZ-CG 4.08Å; F452-N499 HydrophobicContact CD1-CB 4.18Å; F452-N499 PolarHBondContact O-ND2 2.81Å
453V84.6Confident89.5Confident32 Ų3238.8 Ų38.819%0.19421%0.206CC..  trans-122.1127.4-177.1-175.80000108.7P424 G455 Y456 A497P424-V453 HydrophobicContact CB-CG2 4.17Å; V453-G455 WeakPolarHBondContact CG1-O 3.23Å; V453-Y456 HydrophobicContact CG1-CD1 4.35Å; V453-Y456 HydrophobicContact CG1-CE1 3.81Å; V453-Y456 HydrophobicContact CG1-CE2 4.08Å; V453-A497 HydrophobicContact CG1-CB 3.85Å; V453-A497 HydrophobicContact CG2-CB 4.15Å
454E85.4Confident88.8Confident82 Ų8245.3 Ų45.338%0.38323%0.234SC..SBendtrans-91.3-30.7172.7-67.5172.6-168.900111.4F452 Y498 N499 S500F452-E454 HydrophobicContact CD1-CG 4.39Å; F452-E454 HydrophobicContact CE1-CG 3.55Å; F452-E454 HydrophobicContact CZ-CG 4.08Å; E454-Y498 HydrophobicContact CB-CD2 4.39Å; E454-Y498 HydrophobicContact CB-CE2 4.22Å; E454-Y498 PolarHBondContact N-O 3.34Å; E454-N499 HydrophobicContact CB-CB 4.37Å; E454-N499 HydrophobicContact CG-CB 3.87Å; E454-S500 WeakPolarHBondContact OE1-CB 3.36Å; E454-S500 PolarHBondContact OE1-N 2.76Å; E454-S500 PolarHBondContact OE1-OG 2.85Å; E454-S500 PolarHBondContact OE2-N 3Å
455G93Very high88Confident0 Ų048 Ų480%026%0.261CS..EExtended strand (participates in β ladder)trans-173.5-170.5171.700000113.6V453 G475 A497 Y498V453-G455 WeakPolarHBondContact CG1-O 3.23Å; G455-G475 CarbonylContact C-O 3.51Å; G455-G475 WeakPolarHBondContact CA-O 3.3Å; G455-A497 CarbonylContact O-C 3.58Å; G455-A497 WeakPolarHBondContact O-CA 3.24Å; G455-Y498 PolarHBondContact N-O 3.14Å; G455-Y498 VanDerWaalsContact O-CD1 3.32Å; G455-Y498 WeakPolarHBondContact O-CD1 3.46Å; G455-Y498 PolarHBondContact O-N 2.83Å
456Y97.3Very high87.3Confident12 Ų1250.4 Ų50.45%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-130.3149.7-175.9-56.4-83.6000111P427 W445 A447 V453 V474 G475 D477 T478 V495 K496 A497P427-Y456 HydrophobicContact CB-CD1 4.34Å; P427-Y456 HydrophobicContact CB-CE1 4.17Å; W445-Y456 AromaticContact CD1-CD1 3.76Å; W445-Y456 AromaticContact CD1-CE1 3.89Å; W445-Y456 AromaticContact CD1-CG 3.99Å; W445-Y456 HydrophobicContact CZ2-CG 4.43Å; W445-Y456 AromaticContact NE1-CD1 3.4Å; W445-Y456 AromaticContact NE1-CD2 3.39Å; W445-Y456 AromaticContact NE1-CE1 3.86Å; W445-Y456 AromaticContact NE1-CE2 3.86Å; W445-Y456 AromaticContact NE1-CG 3.15Å; A447-Y456 WeakPolarHBondContact CA-OH 3.4Å; A447-Y456 WeakPolarHBondContact CB-OH 3.47Å; V453-Y456 HydrophobicContact CG1-CD1 4.35Å; V453-Y456 HydrophobicContact CG1-CE1 3.81Å; V453-Y456 HydrophobicContact CG1-CE2 4.08Å; Y456-V474 VanDerWaalsContact O-CA 3.31Å; Y456-V474 WeakPolarHBondContact O-CA 3.33Å; Y456-G475 PolarHBondContact N-O 3.39Å; Y456-G475 PolarHBondContact O-N 3.02Å; Y456-G475 VanDerWaalsContact O-N 3.07Å; Y456-D477 WeakPolarHBondContact CD2-O 3.43Å; Y456-T478 HydrophobicContact CE2-CG2 3.81Å; Y456-V495 HydrophobicContact CD1-CG2 4.25Å; Y456-V495 HydrophobicContact CG-CG2 4.46Å; Y456-K496 CarbonylContact C-O 3.5Å; Y456-K496 WeakPolarHBondContact CA-O 3.48Å; Y456-A497 HydrophobicContact CD1-CB 3.83Å; Y456-A497 HydrophobicContact CE1-CB 3.8Å
457V97.2Very high86.8Confident8 Ų846.4 Ų46.45%0.04828%0.278CS..EExtended strand (participates in β ladder)trans-115.3115.5167.9-177.90000107.8E459 E471 Y473 V474 V495 K496 Y498V457-E459 HydrophobicContact CG1-CG 4.3Å; V457-E471 HydrophobicContact CG1-CB 4.33Å; V457-E471 HydrophobicContact CG1-CG 3.76Å; V457-Y473 WeakPolarHBondContact CA-O 3.33Å; V457-V474 HydrophobicContact CG1-CG2 4.28Å; V457-V474 HydrophobicContact CG2-CG1 4.38Å; V457-V474 HydrophobicContact CG2-CG2 4.21Å; V457-V495 CarbonylContact O-C 3.51Å; V457-V495 VanDerWaalsContact O-CA 3.31Å; V457-V495 WeakPolarHBondContact O-CA 3.41Å; V457-K496 HydrophobicContact CB-CD 4.4Å; V457-K496 HydrophobicContact CB-CG 3.81Å; V457-K496 HydrophobicContact CG2-CG 4.39Å; V457-K496 PolarHBondContact N-O 2.85Å; V457-K496 PolarHBondContact O-N 2.82Å; V457-Y498 HydrophobicContact CG2-CD1 3.87Å; V457-Y498 HydrophobicContact CG2-CE1 4.12Å
458L97.3Very high86.8Confident0 Ų049.1 Ų49.10%029%0.286CS..EExtended strand (participates in β ladder)trans-94131171.7179.566.7000109I443 W445 V472 Y473 W480 V482 V495I443-L458 HydrophobicContact CB-CD1 4.41Å; I443-L458 HydrophobicContact CB-CD2 4.38Å; I443-L458 HydrophobicContact CD1-CD2 4.29Å; I443-L458 HydrophobicContact CG2-CD1 4.19Å; W445-L458 HydrophobicContact CH2-CB 4.18Å; W445-L458 HydrophobicContact CH2-CD2 4.11Å; W445-L458 HydrophobicContact CZ3-CD1 4.16Å; W445-L458 HydrophobicContact CZ3-CD2 3.94Å; W445-L458 HydrophobicContact CZ3-CG 4.44Å; L458-V472 HydrophobicContact CB-CG2 4Å; L458-V472 HydrophobicContact CD2-CG2 3.65Å; L458-V472 HydrophobicContact CG-CG2 3.57Å; L458-V472 WeakPolarHBondContact O-CG2 3.27Å; L458-V472 PolarHBondContact O-N 3.4Å; L458-Y473 PolarHBondContact N-O 3.29Å; L458-Y473 PolarHBondContact O-N 2.86Å; L458-W480 HydrophobicContact CD2-CB 4.03Å; L458-W480 HydrophobicContact CD2-CG 4.34Å; L458-V482 HydrophobicContact CD2-CG2 4.08Å; L458-V495 HydrophobicContact CD1-CB 4.16Å
459E97Very high87.2Confident14 Ų1451 Ų517%0.06529%0.291CS..EExtended strand (participates in β ladder)trans-122.4139.7175.7-73.8179.4-170.900111.6V457 Y469 R470 E471 A493 R494 Y506V457-E459 HydrophobicContact CG1-CG 4.3Å; E459-Y469 HydrophobicContact CB-CD1 4.11Å; E459-Y469 HydrophobicContact CB-CG 4.5Å; E459-Y469 WeakPolarHBondContact OE2-CB 3.33Å; E459-R470 WeakPolarHBondContact CA-O 3.35Å; E459-E471 HydrophobicContact CG-CG 4.15Å; E459-A493 VanDerWaalsContact O-CA 3.32Å; E459-A493 WeakPolarHBondContact O-CA 3.5Å; E459-R494 HydrophobicContact CB-CG 4.03Å; E459-R494 PolarHBondContact N-O 2.76Å; E459-R494 PolarHBondContact O-N 2.73Å; E459-R494 IonicContact OE2-CZ 2.84Å; E459-R494 IonicContact OE2-NE 3.87Å; E459-R494 PolarHBondContact OE2-NE 2.79Å; E459-R494 IonicContact OE2-NH2 2.65Å; E459-R494 PolarHBondContact OE2-NH2 2.91Å; E459-Y506 VanDerWaalsContact CD-OH 3.26Å; E459-Y506 HydrophobicContact CG-CE1 4.25Å; E459-Y506 PolarHBondContact OE1-OH 2.87Å; E459-Y506 WeakPolarHBondContact OE2-CE1 3.35Å; E459-Y506 PolarHBondContact OE2-OH 2.78Å
460V95.2Very high88Confident6 Ų651.2 Ų51.24%0.03628%0.284CS..EExtended strand (participates in β ladder)trans-128.9141.3174.6-177.60000109.4R470 V472 V482 Y491 H492 A493V460-R470 PolarHBondContact N-O 3.47Å; V460-R470 PolarHBondContact O-N 3.01Å; V460-V472 HydrophobicContact CB-CG1 4.14Å; V460-V472 HydrophobicContact CB-CG2 4.49Å; V460-V472 HydrophobicContact CG2-CG1 4.29Å; V460-V472 HydrophobicContact CG2-CG2 3.81Å; V460-V482 HydrophobicContact CG2-CG2 4.13Å; V460-Y491 HydrophobicContact CG1-CD1 3.69Å; V460-Y491 HydrophobicContact CG1-CG 4.2Å; V460-H492 WeakPolarHBondContact CA-O 3.45Å; V460-A493 HydrophobicContact CG2-CB 3.96Å
461D94.5Very high89.3Confident8 Ų852.5 Ų52.54%0.04328%0.279CS..EExtended strand (participates in β ladder)trans-73.4177.5176.481-14.1000113.1G463 N468 Y469 Y491 H492D461-G463 PolarHBondContact O-N 3.27Å; D461-G463 PolarHBondContact OD1-N 2.87Å; D461-G463 VanDerWaalsContact OD1-N 3.15Å; D461-N468 VanDerWaalsContact CA-O 3.32Å; D461-N468 WeakPolarHBondContact CA-O 3.46Å; D461-Y469 HydrophobicContact CB-CD1 4.22Å; D461-Y469 HydrophobicContact CB-CE1 4.17Å; D461-Y491 VanDerWaalsContact O-CD1 3.28Å; D461-Y491 WeakPolarHBondContact O-CD1 3.28Å; D461-Y491 WeakPolarHBondContact O-CE1 3.44Å; D461-Y491 VanDerWaalsContact OD1-CA 3.24Å; D461-Y491 WeakPolarHBondContact OD1-CA 3.38Å; D461-H492 HydrophobicContact CB-CB 4.41Å; D461-H492 PolarHBondContact N-O 2.88Å; D461-H492 PolarHBondContact OD1-N 3.47Å; D461-H492 IonicContact OD2-CG 2.7Å; D461-H492 IonicContact OD2-ND1 3.74Å; D461-H492 PolarHBondContact OD2-ND1 3.38Å
462D89.6Confident90.2Very high41 Ų4153.1 Ų53.122%0.21928%0.282CS..  trans-80.67-179.872.6-17.2000114.6K464 S466 N468D462-K464 PolarHBondContact O-N 2.87Å; D462-K464 WeakPolarHBondContact OD1-CB 3.11Å; D462-K464 PolarHBondContact OD1-N 2.95Å; D462-K464 VanDerWaalsContact OD1-N 3.13Å; D462-K464 WeakPolarHBondContact OD2-CD 3.47Å; D462-S466 PolarHBondContact OD1-OG 2.97Å; D462-S466 PolarHBondContact OD2-OG 3.2Å; D462-S466 VanDerWaalsContact OD2-OG 3.1Å; D462-N468 PolarHBondContact N-O 3.48Å
463G87.5Confident91.1Very high10 Ų1049.9 Ų49.910%0.10327%0.267CS..SBendtrans67.59.4-177.100000114.5D461 I490D461-G463 PolarHBondContact O-N 3.27Å; D461-G463 PolarHBondContact OD1-N 2.87Å; D461-G463 VanDerWaalsContact OD1-N 3.15Å; G463-I490 WeakPolarHBondContact CA-O 3.37Å
464K83.6Confident91.7Very high137 Ų13752.2 Ų52.260%0.59628%0.281SS*.SBendtrans-101.80.9177.4-59-178.5-173.9167.80112.7D462 S466D462-K464 PolarHBondContact O-N 2.87Å; D462-K464 WeakPolarHBondContact OD1-CB 3.11Å; D462-K464 PolarHBondContact OD1-N 2.95Å; D462-K464 VanDerWaalsContact OD1-N 3.13Å; D462-K464 WeakPolarHBondContact OD2-CD 3.47Å; K464-S466 PolarHBondContact O-N 3.31Å
465G80Confident92.1Very high57 Ų5748.6 Ų48.659%0.58827%0.266SS*.SBendtrans66.122.3-172.300000113.2G467G465-G467 VanDerWaalsContact C-N 3.27Å; G465-G467 PolarHBondContact O-N 2.89Å
466S83Confident92.1Very high55 Ų5553 Ų5339%0.38530%0.295SS..SBendtrans-76.6-15-177.968.40000113.5D462 K464 N468D462-S466 PolarHBondContact OD1-OG 2.97Å; D462-S466 PolarHBondContact OD2-OG 3.2Å; D462-S466 VanDerWaalsContact OD2-OG 3.1Å; K464-S466 PolarHBondContact O-N 3.31Å; S466-N468 PolarHBondContact O-N 2.64Å; S466-N468 WeakPolarHBondContact OG-CB 2.8Å; S466-N468 PolarHBondContact OG-N 3.47Å; S466-N468 PolarHBondContact OG-ND2 3.49Å
467G82.8Confident92Very high45 Ų4556.3 Ų56.346%0.46431%0.313SS..  trans74.26.8-171.100000113.9G465 Y469G465-G467 VanDerWaalsContact C-N 3.27Å; G465-G467 PolarHBondContact O-N 2.89Å; G467-Y469 WeakPolarHBondContact O-CD2 3.43Å; G467-Y469 PolarHBondContact O-N 3.42Å
468N90.8Very high92Very high104 Ų10459 Ų5956%0.55633%0.33SS*.  trans-82.199175-66.6-44.6000110.3D461 D462 S466D461-N468 VanDerWaalsContact CA-O 3.32Å; D461-N468 WeakPolarHBondContact CA-O 3.46Å; D462-N468 PolarHBondContact N-O 3.48Å; S466-N468 PolarHBondContact O-N 2.64Å; S466-N468 WeakPolarHBondContact OG-CB 2.8Å; S466-N468 PolarHBondContact OG-N 3.47Å; S466-N468 PolarHBondContact OG-ND2 3.49Å
469Y94Very high91.9Very high60 Ų6062.6 Ų62.624%0.23535%0.351CS..EExtended strand (participates in β ladder)trans-83.6147.7176.1-70.6-88.6000111.9E459 D461 G467 H492 R494 C509E459-Y469 HydrophobicContact CB-CD1 4.11Å; E459-Y469 HydrophobicContact CB-CG 4.5Å; E459-Y469 WeakPolarHBondContact OE2-CB 3.33Å; D461-Y469 HydrophobicContact CB-CD1 4.22Å; D461-Y469 HydrophobicContact CB-CE1 4.17Å; G467-Y469 WeakPolarHBondContact O-CD2 3.43Å; G467-Y469 PolarHBondContact O-N 3.42Å; Y469-H492 HydrophobicContact CE1-CB 4.14Å; Y469-H492 WeakPolarHBondContact CE1-O 3.33Å; Y469-R494 HydrophobicContact CD1-CG 4.09Å; Y469-R494 HydrophobicContact CE1-CG 3.99Å; Y469-C509 PolarHBondContact OH-SG 2.76Å
470R93.8Very high91.9Very high187 Ų18766.4 Ų66.471%0.70637%0.365SS*.EExtended strand (participates in β ladder)trans-128.5141.3171.7-65.7-175.7179.4-159.4-1.8110.2E459 V460 V472E459-R470 WeakPolarHBondContact CA-O 3.35Å; V460-R470 PolarHBondContact N-O 3.47Å; V460-R470 PolarHBondContact O-N 3.01Å; R470-V472 PolarHBondContact O-N 3.3Å
471E95.8Very high91.9Very high122 Ų12268.8 Ų68.857%0.5738%0.382SS*.EExtended strand (participates in β ladder)trans-66.6118.7171.4-60.6179.8173.400109.1V457 E459V457-E471 HydrophobicContact CG1-CB 4.33Å; V457-E471 HydrophobicContact CG1-CG 3.76Å; E459-E471 HydrophobicContact CG-CG 4.15Å
472V94.8Very high91.9Very high48 Ų4869 Ų6929%0.29138%0.384SS..EExtended strand (participates in β ladder)trans-108.6-16.1178.9-66.20000112.3L458 V460 R470 W480 V482L458-V472 HydrophobicContact CB-CG2 4Å; L458-V472 HydrophobicContact CD2-CG2 3.65Å; L458-V472 HydrophobicContact CG-CG2 3.57Å; L458-V472 WeakPolarHBondContact O-CG2 3.27Å; L458-V472 PolarHBondContact O-N 3.4Å; V460-V472 HydrophobicContact CB-CG1 4.14Å; V460-V472 HydrophobicContact CB-CG2 4.49Å; V460-V472 HydrophobicContact CG2-CG1 4.29Å; V460-V472 HydrophobicContact CG2-CG2 3.81Å; R470-V472 PolarHBondContact O-N 3.3Å; V472-W480 PolarHBondContact O-NE1 3.03Å; V472-V482 HydrophobicContact CB-CG1 4.36Å; V472-V482 HydrophobicContact CB-CG2 4.15Å; V472-V482 HydrophobicContact CG1-CG1 4.11Å; V472-V482 HydrophobicContact CG2-CG2 3.73Å
473Y96.8Very high91.9Very high19 Ų1973.6 Ų73.68%0.07540%0.404CS..EExtended strand (participates in β ladder)trans-155139.8176173.6-102.2000111.3W445 V457 L458 G475 D477 W480W445-Y473 HydrophobicContact CH2-CD1 4.03Å; W445-Y473 HydrophobicContact CH2-CE1 4.39Å; W445-Y473 HydrophobicContact CZ2-CD1 4.04Å; W445-Y473 HydrophobicContact CZ2-CE1 4.07Å; V457-Y473 WeakPolarHBondContact CA-O 3.33Å; L458-Y473 PolarHBondContact N-O 3.29Å; L458-Y473 PolarHBondContact O-N 2.86Å; Y473-G475 VanDerWaalsContact OH-CA 3.26Å; Y473-G475 WeakPolarHBondContact OH-CA 3.37Å; Y473-D477 HydrophobicContact CE1-CB 4.37Å; Y473-D477 WeakPolarHBondContact OH-CA 3.41Å; Y473-D477 WeakPolarHBondContact OH-CB 3.38Å; Y473-D477 PolarHBondContact OH-N 3.39Å; Y473-D477 PolarHBondContact OH-OD2 3.37Å; Y473-W480 HydrophobicContact CD1-CB 4.49Å; Y473-W480 AromaticContact CD2-CD2 3.23Å; Y473-W480 HydrophobicContact CD2-CD2 3.23Å; Y473-W480 AromaticContact CD2-CE2 3.57Å; Y473-W480 AromaticContact CD2-CE3 3.15Å; Y473-W480 HydrophobicContact CD2-CE3 3.15Å; Y473-W480 AromaticContact CD2-CG 3.89Å; Y473-W480 HydrophobicContact CD2-CG 3.89Å; Y473-W480 AromaticContact CD2-CH2 3.72Å; Y473-W480 HydrophobicContact CD2-CH2 3.72Å; Y473-W480 AromaticContact CD2-CZ2 3.8Å; Y473-W480 HydrophobicContact CD2-CZ2 3.8Å; Y473-W480 AromaticContact CD2-CZ3 3.4Å; Y473-W480 HydrophobicContact CD2-CZ3 3.4Å; Y473-W480 VanDerWaalsContact CD2-CZ3 3.4Å; Y473-W480 AromaticContact CE2-CD2 3.89Å; Y473-W480 HydrophobicContact CE2-CD2 3.89Å; Y473-W480 AromaticContact CE2-CE3 3.28Å; Y473-W480 HydrophobicContact CE2-CE3 3.28Å; Y473-W480 HydrophobicContact CE2-CH2 4.04Å; Y473-W480 AromaticContact CE2-CZ3 3.37Å; Y473-W480 HydrophobicContact CE2-CZ3 3.37Å; Y473-W480 HydrophobicContact CG-CB 4.21Å; Y473-W480 AromaticContact CG-CD2 3.64Å; Y473-W480 HydrophobicContact CG-CD2 3.64Å; Y473-W480 AromaticContact CG-CE3 3.94Å; Y473-W480 HydrophobicContact CG-CE3 3.94Å; Y473-W480 AromaticContact CG-CG 3.77Å; Y473-W480 HydrophobicContact CG-CG 3.77Å
474V96.3Very high91.9Very high81 Ų8178.7 Ų78.749%0.49143%0.429SS..EExtended strand (participates in β ladder)trans-136.4116.4170.1-177.50000108.1Y456 V457 Y498Y456-V474 VanDerWaalsContact O-CA 3.31Å; Y456-V474 WeakPolarHBondContact O-CA 3.33Å; V457-V474 HydrophobicContact CG1-CG2 4.28Å; V457-V474 HydrophobicContact CG2-CG1 4.38Å; V457-V474 HydrophobicContact CG2-CG2 4.21Å; V474-Y498 HydrophobicContact CG1-CE1 3.92Å
475G94.3Very high92.2Very high7 Ų773.1 Ų73.17%0.07241%0.405CS..EExtended strand (participates in β ladder)trans166.9-177.2-179.600000114.3G455 Y456 Y473G455-G475 CarbonylContact C-O 3.51Å; G455-G475 WeakPolarHBondContact CA-O 3.3Å; Y456-G475 PolarHBondContact N-O 3.39Å; Y456-G475 PolarHBondContact O-N 3.02Å; Y456-G475 VanDerWaalsContact O-N 3.07Å; Y473-G475 VanDerWaalsContact OH-CA 3.26Å; Y473-G475 WeakPolarHBondContact OH-CA 3.37Å
476P92.3Very high92.6Very high92 Ų9273 Ų7360%0.59739%0.39SS*.SBendtrans-81.9-13.5-172.933.5-36.4000114.5
477D95.8Very high92.9Very high82 Ų8271.6 Ų71.644%0.43938%0.376SS..  trans-68152.3-175.7-51.6-55.1000111W445 Y456 Y473W445-D477 WeakPolarHBondContact CZ2-O 3.27Å; W445-D477 PolarHBondContact NE1-O 3.5Å; Y456-D477 WeakPolarHBondContact CD2-O 3.43Å; Y473-D477 HydrophobicContact CE1-CB 4.37Å; Y473-D477 WeakPolarHBondContact OH-CA 3.41Å; Y473-D477 WeakPolarHBondContact OH-CB 3.38Å; Y473-D477 PolarHBondContact OH-N 3.39Å; Y473-D477 PolarHBondContact OH-OD2 3.37Å
478T95.9Very high93Very high64 Ų6471.7 Ų71.739%0.39338%0.377SS..SBendtrans-108.37.1-178.559.50000113.1A444 W445 Y456A444-T478 CarbonylContact C-O 3.6Å; A444-T478 WeakPolarHBondContact CA-O 3Å; W445-T478 PolarHBondContact N-O 3.3Å; W445-T478 WeakPolarHBondContact O-CB 3.41Å; Y456-T478 HydrophobicContact CE2-CG2 3.81Å
479V96.5Very high93Very high75 Ų7567.4 Ų67.446%0.45536%0.355SS..EExtended strand (participates in β ladder)trans-143.7136.3175.361.60000108.6T442 I443 A444T442-V479 HydrophobicContact CG2-CG2 3.76Å; I443-V479 WeakPolarHBondContact O-CA 3.49Å; A444-V479 HydrophobicContact CB-CB 4.37Å; A444-V479 HydrophobicContact CB-CG2 4.14Å
480W97.1Very high92.9Very high95 Ų9568.5 Ų68.536%0.3636%0.364SS..EExtended strand (participates in β ladder)trans-147.9141178.8-171.4-100.8000112T442 I443 W445 L458 V472 Y473T442-W480 WeakPolarHBondContact CA-O 3.41Å; I443-W480 PolarHBondContact N-O 3.34Å; I443-W480 PolarHBondContact O-N 3.13Å; W445-W480 HydrophobicContact CH2-CB 3.7Å; W445-W480 HydrophobicContact CZ3-CB 4.08Å; L458-W480 HydrophobicContact CD2-CB 4.03Å; L458-W480 HydrophobicContact CD2-CG 4.34Å; V472-W480 PolarHBondContact O-NE1 3.03Å; Y473-W480 HydrophobicContact CD1-CB 4.49Å; Y473-W480 AromaticContact CD2-CD2 3.23Å; Y473-W480 HydrophobicContact CD2-CD2 3.23Å; Y473-W480 AromaticContact CD2-CE2 3.57Å; Y473-W480 AromaticContact CD2-CE3 3.15Å; Y473-W480 HydrophobicContact CD2-CE3 3.15Å; Y473-W480 AromaticContact CD2-CG 3.89Å; Y473-W480 HydrophobicContact CD2-CG 3.89Å; Y473-W480 AromaticContact CD2-CH2 3.72Å; Y473-W480 HydrophobicContact CD2-CH2 3.72Å; Y473-W480 AromaticContact CD2-CZ2 3.8Å; Y473-W480 HydrophobicContact CD2-CZ2 3.8Å; Y473-W480 AromaticContact CD2-CZ3 3.4Å; Y473-W480 HydrophobicContact CD2-CZ3 3.4Å; Y473-W480 VanDerWaalsContact CD2-CZ3 3.4Å; Y473-W480 AromaticContact CE2-CD2 3.89Å; Y473-W480 HydrophobicContact CE2-CD2 3.89Å; Y473-W480 AromaticContact CE2-CE3 3.28Å; Y473-W480 HydrophobicContact CE2-CE3 3.28Å; Y473-W480 HydrophobicContact CE2-CH2 4.04Å; Y473-W480 AromaticContact CE2-CZ3 3.37Å; Y473-W480 HydrophobicContact CE2-CZ3 3.37Å; Y473-W480 HydrophobicContact CG-CB 4.21Å; Y473-W480 AromaticContact CG-CD2 3.64Å; Y473-W480 HydrophobicContact CG-CD2 3.64Å; Y473-W480 AromaticContact CG-CE3 3.94Å; Y473-W480 HydrophobicContact CG-CE3 3.94Å; Y473-W480 AromaticContact CG-CG 3.77Å; Y473-W480 HydrophobicContact CG-CG 3.77Å
481S95.5Very high92.9Very high56 Ų5660 Ų6039%0.39233%0.332SS..EExtended strand (participates in β ladder)trans-104.3119.6176.9-58.30000110.2A441 T442A441-S481 CarbonylContact O-C 3.58Å; A441-S481 WeakPolarHBondContact O-CA 3.4Å; T442-S481 PolarHBondContact OG1-OG 3.11Å
482V93.6Very high92.9Very high12 Ų1256.5 Ų56.57%0.07332%0.316CS..EExtended strand (participates in β ladder)trans-93.2112.2175.3-172.40000108.1S440 A441 I443 L458 V460 V472 L485S440-V482 CarbonylContact C-O 3.33Å; S440-V482 VanDerWaalsContact CA-O 3.23Å; S440-V482 WeakPolarHBondContact CA-O 3.41Å; A441-V482 PolarHBondContact N-O 2.73Å; A441-V482 PolarHBondContact O-N 3.23Å; I443-V482 HydrophobicContact CD1-CG2 3.94Å; L458-V482 HydrophobicContact CD2-CG2 4.08Å; V460-V482 HydrophobicContact CG2-CG2 4.13Å; V472-V482 HydrophobicContact CB-CG1 4.36Å; V472-V482 HydrophobicContact CB-CG2 4.15Å; V472-V482 HydrophobicContact CG1-CG1 4.11Å; V472-V482 HydrophobicContact CG2-CG2 3.73Å; V482-L485 HydrophobicContact CG1-CD2 3.76Å; V482-L485 HydrophobicContact CG1-CG 4.25Å
483E90.4Very high92.9Very high138 Ų13854.2 Ų54.265%0.64530%0.302SS*.  trans-94.1168.1-179.2-61.3-177.6175.900112.2L485E483-L485 VanDerWaalsContact C-N 3.29Å; E483-L485 PolarHBondContact O-N 3.45Å
484N86.6Confident92.9Very high117 Ų11756.2 Ų56.263%0.62631%0.31SS*.SBendtrans60.433.2172.9-57-59.9000114.7N439N439-N484 PolarHBondContact O-N 3.23Å
485L90.8Very high92.9Very high19 Ų1952.4 Ų52.410%0.09929%0.286CS..PPolyproline II helixtrans-69.7159.3168.9-59.5177.7000110.6N439 A441 V482 E483 Y491 T514N439-L485 VanDerWaalsContact CB-O 3.26Å; N439-L485 WeakPolarHBondContact CB-O 3.43Å; N439-L485 WeakPolarHBondContact O-CB 3.27Å; N439-L485 PolarHBondContact O-N 2.96Å; A441-L485 HydrophobicContact CB-CD1 3.76Å; V482-L485 HydrophobicContact CG1-CD2 3.76Å; V482-L485 HydrophobicContact CG1-CG 4.25Å; E483-L485 VanDerWaalsContact C-N 3.29Å; E483-L485 PolarHBondContact O-N 3.45Å; L485-Y491 HydrophobicContact CB-CD2 4.41Å; L485-Y491 HydrophobicContact CB-CE2 3.74Å; L485-Y491 HydrophobicContact CD1-CD2 4.24Å; L485-Y491 HydrophobicContact CD1-CE2 4.38Å; L485-Y491 HydrophobicContact CD2-CD1 4.2Å; L485-Y491 HydrophobicContact CD2-CD2 4.5Å; L485-Y491 HydrophobicContact CD2-CE1 3.85Å; L485-Y491 HydrophobicContact CD2-CE2 4.19Å; L485-Y491 HydrophobicContact CD2-CG 4.49Å; L485-Y491 HydrophobicContact CG-CE2 4.33Å; L485-T514 HydrophobicContact CB-CG2 3.73Å; L485-T514 HydrophobicContact CD1-CG2 4Å
486H87.8Confident93Very high56 Ų5653 Ų5326%0.25929%0.287SS..PPolyproline II helixtrans-81138175.4-60.1104.4000110C489 Y491 T514 R558H486-C489 HydrophobicContact CB-CB 4.48Å; H486-C489 WeakPolarHBondContact O-CB 3.29Å; H486-Y491 PolarHBondContact N-OH 3.44Å; H486-Y491 PolarHBondContact ND1-OH 2.75Å; H486-Y491 VanDerWaalsContact ND1-OH 3.14Å; H486-T514 WeakPolarHBondContact O-CB 3.43Å; H486-T514 PolarHBondContact O-OG1 2.79Å; H486-R558 WeakPolarHBondContact CD2-CB 3.33Å
487F88.5Confident93.1Very high24 Ų2448.6 Ų48.611%0.10526%0.259CS..THydrogen-bonded Turntrans-61.5152.6173.3-68.5-80.9000112.5N438 N439 C489 A515 A518 V554 L556 H561N438-F487 HydrophobicContact CB-CE1 4.4Å; N438-F487 WeakPolarHBondContact OD1-CE1 3.35Å; N439-F487 HydrophobicContact CB-CD2 4.36Å; N439-F487 HydrophobicContact CB-CE1 3.89Å; N439-F487 HydrophobicContact CB-CE2 3.75Å; N439-F487 HydrophobicContact CB-CZ 3.49Å; N439-F487 VanDerWaalsContact CB-CZ 3.49Å; F487-C489 PolarHBondContact O-N 3.22Å; F487-C489 PolarHBondContact O-SG 2.63Å; F487-C489 VanDerWaalsContact O-SG 3.32Å; F487-A515 CarbonylContact C-O 3.55Å; F487-A515 WeakPolarHBondContact CA-O 3.49Å; F487-A515 WeakPolarHBondContact CB-O 3.41Å; F487-A515 HydrophobicContact CD1-CB 4.27Å; F487-A515 WeakPolarHBondContact CD1-O 3.45Å; F487-A515 HydrophobicContact CE1-CB 4.46Å; F487-A518 HydrophobicContact CD1-CB 4.22Å; F487-A518 HydrophobicContact CD2-CB 3.99Å; F487-A518 VanDerWaalsContact CE1-CA 3.48Å; F487-A518 HydrophobicContact CE1-CB 3.9Å; F487-A518 HydrophobicContact CE2-CB 3.61Å; F487-A518 HydrophobicContact CG-CB 4.26Å; F487-A518 HydrophobicContact CZ-CB 3.55Å; F487-V554 HydrophobicContact CE2-CG1 3.73Å; F487-V554 HydrophobicContact CZ-CG1 3.87Å; F487-L556 HydrophobicContact CD2-CD2 4.32Å; F487-L556 HydrophobicContact CE2-CD2 3.96Å; F487-H561 AromaticContact CD2-CE1 3.71Å
488G86.7Confident92.9Very high47 Ų4747.3 Ų47.349%0.48525%0.248SC..THydrogen-bonded Turntrans60.523.2177.300000114.2T514 A515G488-T514 PolarHBondContact N-OG1 3.28Å; G488-A515 PolarHBondContact N-O 3.45Å
489C89.7Confident92.4Very high14 Ų1444.7 Ų44.710%0.09523%0.231CC..  trans-112.8149.1-176.5-67.80000111H486 F487 Y491 T514H486-C489 HydrophobicContact CB-CB 4.48Å; H486-C489 WeakPolarHBondContact O-CB 3.29Å; F487-C489 PolarHBondContact O-N 3.22Å; F487-C489 PolarHBondContact O-SG 2.63Å; F487-C489 VanDerWaalsContact O-SG 3.32Å; C489-Y491 HydrophobicContact CB-CD2 4.12Å; C489-Y491 HydrophobicContact CB-CE2 3.55Å; C489-T514 PolarHBondContact N-OG1 2.88Å; C489-T514 VanDerWaalsContact N-OG1 3.08Å; C489-T514 PolarHBondContact O-N 2.88Å; C489-T514 VanDerWaalsContact O-N 3.09Å; C489-T514 PolarHBondContact O-OG1 3.45Å
490I92.3Very high91.6Very high83 Ų8345.4 Ų45.443%0.42624%0.24SC..EExtended strand (participates in β ladder)trans-103.2118.1172-60.2173.9000107.7G463 R511 L512 Q513G463-I490 WeakPolarHBondContact CA-O 3.37Å; I490-R511 HydrophobicContact CG2-CB 4.36Å; I490-L512 CarbonylContact C-O 3.53Å; I490-L512 WeakPolarHBondContact CA-O 3.1Å; I490-Q513 HydrophobicContact CG1-CB 4.46Å; I490-Q513 HydrophobicContact CG1-CG 4.28Å
491Y93.7Very high90.6Very high8 Ų844.9 Ų44.93%0.03124%0.243CC..EExtended strand (participates in β ladder)trans-102.4146.5177.8-73.3-86.6000111.2V460 D461 L485 H486 C489 R511 L512 T514V460-Y491 HydrophobicContact CG1-CD1 3.69Å; V460-Y491 HydrophobicContact CG1-CG 4.2Å; D461-Y491 VanDerWaalsContact O-CD1 3.28Å; D461-Y491 WeakPolarHBondContact O-CD1 3.28Å; D461-Y491 WeakPolarHBondContact O-CE1 3.44Å; D461-Y491 VanDerWaalsContact OD1-CA 3.24Å; D461-Y491 WeakPolarHBondContact OD1-CA 3.38Å; L485-Y491 HydrophobicContact CB-CD2 4.41Å; L485-Y491 HydrophobicContact CB-CE2 3.74Å; L485-Y491 HydrophobicContact CD1-CD2 4.24Å; L485-Y491 HydrophobicContact CD1-CE2 4.38Å; L485-Y491 HydrophobicContact CD2-CD1 4.2Å; L485-Y491 HydrophobicContact CD2-CD2 4.5Å; L485-Y491 HydrophobicContact CD2-CE1 3.85Å; L485-Y491 HydrophobicContact CD2-CE2 4.19Å; L485-Y491 HydrophobicContact CD2-CG 4.49Å; L485-Y491 HydrophobicContact CG-CE2 4.33Å; H486-Y491 PolarHBondContact N-OH 3.44Å; H486-Y491 PolarHBondContact ND1-OH 2.75Å; H486-Y491 VanDerWaalsContact ND1-OH 3.14Å; C489-Y491 HydrophobicContact CB-CD2 4.12Å; C489-Y491 HydrophobicContact CB-CE2 3.55Å; Y491-R511 CarbonylContact O-C 3.59Å; Y491-R511 WeakPolarHBondContact O-CA 3.44Å; Y491-L512 PolarHBondContact N-O 3.05Å; Y491-L512 PolarHBondContact O-N 3.01Å; Y491-T514 HydrophobicContact CD2-CG2 4.04Å; Y491-T514 HydrophobicContact CE2-CG2 3.98Å
492H94.9Very high90.1Very high50 Ų5043.2 Ų43.223%0.23124%0.235CC..EExtended strand (participates in β ladder)trans-108.8126.2171.1-6185.7000109.8V460 D461 Y469 I510V460-H492 WeakPolarHBondContact CA-O 3.45Å; D461-H492 HydrophobicContact CB-CB 4.41Å; D461-H492 PolarHBondContact N-O 2.88Å; D461-H492 PolarHBondContact OD1-N 3.47Å; D461-H492 IonicContact OD2-CG 2.7Å; D461-H492 IonicContact OD2-ND1 3.74Å; D461-H492 PolarHBondContact OD2-ND1 3.38Å; Y469-H492 HydrophobicContact CE1-CB 4.14Å; Y469-H492 WeakPolarHBondContact CE1-O 3.33Å; H492-I510 WeakPolarHBondContact CA-O 3.36Å
493A95.7Very high90Very high0 Ų047 Ų470%026%0.255CS..EExtended strand (participates in β ladder)trans-117.7141.417900000111.6I443 E459 V460 C509 I510 L512I443-A493 HydrophobicContact CG1-CB 4.17Å; E459-A493 VanDerWaalsContact O-CA 3.32Å; E459-A493 WeakPolarHBondContact O-CA 3.5Å; V460-A493 HydrophobicContact CG2-CB 3.96Å; A493-C509 VanDerWaalsContact O-CA 3.28Å; A493-C509 WeakPolarHBondContact O-CA 3.27Å; A493-I510 HydrophobicContact CB-CD1 4.42Å; A493-I510 HydrophobicContact CB-CG1 3.96Å; A493-I510 PolarHBondContact N-O 3.36Å; A493-I510 PolarHBondContact O-N 3.32Å; A493-L512 HydrophobicContact CB-CD1 3.79Å
494R96.3Very high89.9Confident61 Ų6140.9 Ų40.923%0.2323%0.229CC..EExtended strand (participates in β ladder)trans-145.1149.8175.963.9-178.4-173.2179.92.2110.6E459 Y469 Y506E459-R494 HydrophobicContact CB-CG 4.03Å; E459-R494 PolarHBondContact N-O 2.76Å; E459-R494 PolarHBondContact O-N 2.73Å; E459-R494 IonicContact OE2-CZ 2.84Å; E459-R494 IonicContact OE2-NE 3.87Å; E459-R494 PolarHBondContact OE2-NE 2.79Å; E459-R494 IonicContact OE2-NH2 2.65Å; E459-R494 PolarHBondContact OE2-NH2 2.91Å; Y469-R494 HydrophobicContact CD1-CG 4.09Å; Y469-R494 HydrophobicContact CE1-CG 3.99Å; R494-Y506 HydrophobicContact CB-CD1 4.17Å; R494-Y506 HydrophobicContact CG-CD1 3.61Å; R494-Y506 HydrophobicContact CG-CE1 4.09Å; R494-Y506 HydrophobicContact CG-CG 4.3Å
495V97.2Very high90.3Very high0 Ų041.6 Ų41.60%023%0.232CC..EExtended strand (participates in β ladder)trans-129.2140.4-179.856.50000110.7P427 I429 W445 Y456 V457 L458 Y506 S507P427-V495 HydrophobicContact CB-CG1 4.23Å; P427-V495 HydrophobicContact CG-CB 4.43Å; P427-V495 HydrophobicContact CG-CG1 3.86Å; P427-V495 HydrophobicContact CG-CG2 4.21Å; P427-V495 VanDerWaalsContact CG-O 3.23Å; P427-V495 WeakPolarHBondContact CG-O 3.46Å; I429-V495 HydrophobicContact CD1-CG1 4.06Å; I429-V495 HydrophobicContact CG1-CG1 3.65Å; W445-V495 HydrophobicContact CB-CG1 3.98Å; W445-V495 HydrophobicContact CD2-CB 4.42Å; W445-V495 HydrophobicContact CD2-CG1 4.24Å; W445-V495 HydrophobicContact CD2-CG2 3.97Å; W445-V495 HydrophobicContact CG-CG1 3.99Å; W445-V495 HydrophobicContact CG-CG2 4.16Å; W445-V495 HydrophobicContact CZ2-CG2 4.28Å; Y456-V495 HydrophobicContact CD1-CG2 4.25Å; Y456-V495 HydrophobicContact CG-CG2 4.46Å; V457-V495 CarbonylContact O-C 3.51Å; V457-V495 VanDerWaalsContact O-CA 3.31Å; V457-V495 WeakPolarHBondContact O-CA 3.41Å; L458-V495 HydrophobicContact CD1-CB 4.16Å; V495-Y506 CarbonylContact O-C 3.6Å; V495-Y506 WeakPolarHBondContact O-CA 3.46Å; V495-S507 PolarHBondContact N-OG 2.86Å; V495-S507 WeakPolarHBondContact O-CB 3.46Å; V495-S507 PolarHBondContact O-N 2.93Å
496K96.1Very high90.5Very high20 Ų2044.1 Ų44.19%0.08724%0.241CC..EExtended strand (participates in β ladder)trans-119.7156.4169.160.7171.6176.7177.70110.1Y456 V457 D503 Y506Y456-K496 CarbonylContact C-O 3.5Å; Y456-K496 WeakPolarHBondContact CA-O 3.48Å; V457-K496 HydrophobicContact CB-CD 4.4Å; V457-K496 HydrophobicContact CB-CG 3.81Å; V457-K496 HydrophobicContact CG2-CG 4.39Å; V457-K496 PolarHBondContact N-O 2.85Å; V457-K496 PolarHBondContact O-N 2.82Å; K496-D503 HydrophobicContact CD-CB 4.26Å; K496-D503 IonicContact NZ-OD2 2.92Å; K496-D503 PolarHBondContact NZ-OD2 2.9Å; K496-Y506 HydrophobicContact CB-CD1 3.8Å; K496-Y506 HydrophobicContact CB-CE1 4.01Å; K496-Y506 HydrophobicContact CB-CG 4.14Å; K496-Y506 HydrophobicContact CD-CD1 4.41Å; K496-Y506 HydrophobicContact CD-CE1 3.8Å; K496-Y506 HydrophobicContact CD-CE2 4.08Å; K496-Y506 WeakPolarHBondContact CE-OH 3.5Å; K496-Y506 HydrophobicContact CG-CD1 4.03Å; K496-Y506 HydrophobicContact CG-CE1 3.7Å
497A94.3Very high90.9Very high0 Ų041.9 Ų41.90%023%0.232CC..EExtended strand (participates in β ladder)trans-104.4145.6174.700000110P424 P427 V453 G455 Y456 G504P424-A497 HydrophobicContact CB-CB 3.6Å; P424-A497 HydrophobicContact CG-CB 4.27Å; P427-A497 HydrophobicContact CG-CB 4.45Å; V453-A497 HydrophobicContact CG1-CB 3.85Å; V453-A497 HydrophobicContact CG2-CB 4.15Å; G455-A497 CarbonylContact O-C 3.58Å; G455-A497 WeakPolarHBondContact O-CA 3.24Å; Y456-A497 HydrophobicContact CD1-CB 3.83Å; Y456-A497 HydrophobicContact CE1-CB 3.8Å; A497-G504 PolarHBondContact O-N 3.5Å
498Y92.1Very high91.2Very high55 Ų5551.6 Ų51.622%0.21627%0.268CS..EExtended strand (participates in β ladder)trans-131.6157.1177.668.5-95.1000112.3E454 G455 V457 V474 D503E454-Y498 HydrophobicContact CB-CD2 4.39Å; E454-Y498 HydrophobicContact CB-CE2 4.22Å; E454-Y498 PolarHBondContact N-O 3.34Å; G455-Y498 PolarHBondContact N-O 3.14Å; G455-Y498 VanDerWaalsContact O-CD1 3.32Å; G455-Y498 WeakPolarHBondContact O-CD1 3.46Å; G455-Y498 PolarHBondContact O-N 2.83Å; V457-Y498 HydrophobicContact CG2-CD1 3.87Å; V457-Y498 HydrophobicContact CG2-CE1 4.12Å; V474-Y498 HydrophobicContact CG1-CE1 3.92Å; Y498-D503 WeakPolarHBondContact CB-OD1 3.4Å
499N84.6Confident91.5Very high8 Ų852.5 Ų52.54%0.04327%0.266CS..EExtended strand (participates in β ladder)trans-147.5-177.816766.721.9000110.2K422 P424 F452 E454 I501 G502K422-N499 PolarHBondContact O-ND2 3.13Å; P424-N499 WeakPolarHBondContact CD-ND2 3.5Å; P424-N499 HydrophobicContact CG-CB 4.05Å; F452-N499 HydrophobicContact CD1-CB 4.18Å; F452-N499 PolarHBondContact O-ND2 2.81Å; E454-N499 HydrophobicContact CB-CB 4.37Å; E454-N499 HydrophobicContact CG-CB 3.87Å; N499-I501 PolarHBondContact O-N 2.97Å; N499-I501 WeakPolarHBondContact OD1-CA 3.43Å; N499-I501 VanDerWaalsContact OD1-CB 3.27Å; N499-I501 WeakPolarHBondContact OD1-CB 3.45Å; N499-I501 PolarHBondContact OD1-N 2.87Å; N499-G502 PolarHBondContact N-O 2.95Å; N499-G502 VanDerWaalsContact N-O 3.1Å; N499-G502 PolarHBondContact O-N 3Å; N499-G502 PolarHBondContact OD1-N 3.09Å
500S80.2Confident91.7Very high91 Ų9152.9 Ų52.964%0.63627%0.267SS*.THydrogen-bonded Turntrans-58.3-16.217941.50000115.5E454E454-S500 WeakPolarHBondContact OE1-CB 3.36Å; E454-S500 PolarHBondContact OE1-N 2.76Å; E454-S500 PolarHBondContact OE1-OG 2.85Å; E454-S500 PolarHBondContact OE2-N 3Å
501I76.6Confident91.7Very high83 Ų8357.9 Ų57.943%0.42628%0.28SS..THydrogen-bonded Turntrans-83.9-35.5173.6-53.1-60.6000111.2V423 N499V423-I501 HydrophobicContact CG2-CB 4.47Å; V423-I501 HydrophobicContact CG2-CG2 3.87Å; N499-I501 PolarHBondContact O-N 2.97Å; N499-I501 WeakPolarHBondContact OD1-CA 3.43Å; N499-I501 VanDerWaalsContact OD1-CB 3.27Å; N499-I501 WeakPolarHBondContact OD1-CB 3.45Å; N499-I501 PolarHBondContact OD1-N 2.87Å
502G84.3Confident91.6Very high22 Ų2258.1 Ų58.123%0.22728%0.282CS..EExtended strand (participates in β ladder)trans154.9-167.8176.800000114.4P424 N499P424-G502 WeakPolarHBondContact CD-O 3.16Å; N499-G502 PolarHBondContact N-O 2.95Å; N499-G502 VanDerWaalsContact N-O 3.1Å; N499-G502 PolarHBondContact O-N 3Å; N499-G502 PolarHBondContact OD1-N 3.09Å
503D90.9Very high91.5Very high92 Ų9261 Ų6149%0.49230%0.295SS..EExtended strand (participates in β ladder)trans-92.4130.6-176.3-69-4.6000112.1V423 K496 Y498V423-D503 WeakPolarHBondContact CG1-O 3.46Å; K496-D503 HydrophobicContact CD-CB 4.26Å; K496-D503 IonicContact NZ-OD2 2.92Å; K496-D503 PolarHBondContact NZ-OD2 2.9Å; Y498-D503 WeakPolarHBondContact CB-OD1 3.4Å
504G89.8Confident91.3Very high9 Ų961.1 Ų61.19%0.09330%0.296CS..  trans-78.8175.5172.600000114.1P424 A497P424-G504 VanDerWaalsContact O-CA 3.25Å; P424-G504 WeakPolarHBondContact O-CA 3.34Å; A497-G504 PolarHBondContact O-N 3.5Å
505D93.9Very high91Very high131 Ų13160 Ų6070%0.70130%0.3SS*.PPolyproline II helixtrans-67.5147.2176.1-67.7-42.6000112C426C426-D505 HydrophobicContact CB-CB 4.46Å
506Y95.4Very high90.5Very high73 Ų7366.9 Ų66.929%0.28633%0.332SS..PPolyproline II helixtrans-67148.8173.2-70.6-86000112C426 E459 R494 V495 K496C426-Y506 PolarHBondContact SG-O 3.21Å; E459-Y506 VanDerWaalsContact CD-OH 3.26Å; E459-Y506 HydrophobicContact CG-CE1 4.25Å; E459-Y506 PolarHBondContact OE1-OH 2.87Å; E459-Y506 WeakPolarHBondContact OE2-CE1 3.35Å; E459-Y506 PolarHBondContact OE2-OH 2.78Å; R494-Y506 HydrophobicContact CB-CD1 4.17Å; R494-Y506 HydrophobicContact CG-CD1 3.61Å; R494-Y506 HydrophobicContact CG-CE1 4.09Å; R494-Y506 HydrophobicContact CG-CG 4.3Å; V495-Y506 CarbonylContact O-C 3.6Å; V495-Y506 WeakPolarHBondContact O-CA 3.46Å; K496-Y506 HydrophobicContact CB-CD1 3.8Å; K496-Y506 HydrophobicContact CB-CE1 4.01Å; K496-Y506 HydrophobicContact CB-CG 4.14Å; K496-Y506 HydrophobicContact CD-CD1 4.41Å; K496-Y506 HydrophobicContact CD-CE1 3.8Å; K496-Y506 HydrophobicContact CD-CE2 4.08Å; K496-Y506 WeakPolarHBondContact CE-OH 3.5Å; K496-Y506 HydrophobicContact CG-CD1 4.03Å; K496-Y506 HydrophobicContact CG-CE1 3.7Å
507S95.8Very high90Very high8 Ų867.1 Ų67.16%0.05634%0.338CS..PPolyproline II helixtrans-57.6165.4166.574.30000111.7C426 P427 I429 V495 C509C426-S507 WeakPolarHBondContact SG-CA 3.48Å; P427-S507 WeakPolarHBondContact O-CB 3.46Å; I429-S507 VanDerWaalsContact CD1-OG 3.28Å; I429-S507 WeakPolarHBondContact CD1-OG 3.45Å; V495-S507 PolarHBondContact N-OG 2.86Å; V495-S507 WeakPolarHBondContact O-CB 3.46Å; V495-S507 PolarHBondContact O-N 2.93Å; S507-C509 PolarHBondContact O-N 3.41Å
508R94Very high89.7Confident229 Ų22967.4 Ų67.486%0.86434%0.34SS*.PPolyproline II helixtrans-56.5136.4161.3-67.5-176178.3-177.7-0109
509C93.3Very high89.5Confident65 Ų6571.5 Ų71.544%0.43936%0.355SS..PPolyproline II helixtrans-68.4137.3174.4-63.10000110Y469 A493 S507Y469-C509 PolarHBondContact OH-SG 2.76Å; A493-C509 VanDerWaalsContact O-CA 3.28Å; A493-C509 WeakPolarHBondContact O-CA 3.27Å; S507-C509 PolarHBondContact O-N 3.41Å
510I94.3Very high89.9Confident22 Ų2271.2 Ų71.211%0.11335%0.354CS..EExtended strand (participates in β ladder)trans-105.1158.6168.361.7156.9000110.2I429 T431 C434 I443 H492 A493 L512I429-I510 HydrophobicContact CB-CG2 4.23Å; I429-I510 HydrophobicContact CD1-CD1 4.42Å; I429-I510 HydrophobicContact CD1-CG1 3.98Å; I429-I510 HydrophobicContact CD1-CG2 4.1Å; I429-I510 HydrophobicContact CG2-CD1 3.88Å; I429-I510 HydrophobicContact CG2-CG1 4.34Å; I429-I510 HydrophobicContact CG2-CG2 3.85Å; T431-I510 HydrophobicContact CG2-CG2 3.87Å; C434-I510 HydrophobicContact CB-CD1 4.4Å; I443-I510 HydrophobicContact CG1-CD1 4.36Å; I443-I510 HydrophobicContact CG2-CD1 4.21Å; H492-I510 WeakPolarHBondContact CA-O 3.36Å; A493-I510 HydrophobicContact CB-CD1 4.42Å; A493-I510 HydrophobicContact CB-CG1 3.96Å; A493-I510 PolarHBondContact N-O 3.36Å; A493-I510 PolarHBondContact O-N 3.32Å; I510-L512 HydrophobicContact CD1-CD1 4.12Å; I510-L512 HydrophobicContact CD1-CD2 3.86Å; I510-L512 HydrophobicContact CD1-CG 3.98Å; I510-L512 HydrophobicContact CG1-CG 4.49Å
511R93.2Very high90.5Very high189 Ų18969.5 Ų69.571%0.71334%0.336SS*.EExtended strand (participates in β ladder)trans-105.9132.8174.3-65.8-177.9-62.1-178.73.6109.2I490 Y491I490-R511 HydrophobicContact CG2-CB 4.36Å; Y491-R511 CarbonylContact O-C 3.59Å; Y491-R511 WeakPolarHBondContact O-CA 3.44Å
512L91.5Very high91.3Very high12 Ų1265.6 Ų65.66%0.06332%0.316CS..EExtended strand (participates in β ladder)trans-124.3124.5178.5-63.1161.8000107.7A441 I443 I490 Y491 A493 I510A441-L512 HydrophobicContact CB-CB 4.43Å; A441-L512 HydrophobicContact CB-CD1 3.9Å; A441-L512 HydrophobicContact CB-CD2 4.47Å; A441-L512 HydrophobicContact CB-CG 4.49Å; I443-L512 HydrophobicContact CD1-CD1 3.75Å; I443-L512 HydrophobicContact CG1-CD1 3.66Å; I490-L512 CarbonylContact C-O 3.53Å; I490-L512 WeakPolarHBondContact CA-O 3.1Å; Y491-L512 PolarHBondContact N-O 3.05Å; Y491-L512 PolarHBondContact O-N 3.01Å; A493-L512 HydrophobicContact CB-CD1 3.79Å; I510-L512 HydrophobicContact CD1-CD1 4.12Å; I510-L512 HydrophobicContact CD1-CD2 3.86Å; I510-L512 HydrophobicContact CD1-CG 3.98Å; I510-L512 HydrophobicContact CG1-CG 4.49Å
513Q92.6Very high91.6Very high110 Ų11066.4 Ų66.451%0.51432%0.315SS..EExtended strand (participates in β ladder)trans-107.6120.5177.5-176.6174.8-500109A436 I490A436-Q513 VanDerWaalsContact CB-O 3.26Å; A436-Q513 WeakPolarHBondContact CB-O 3.2Å; I490-Q513 HydrophobicContact CG1-CB 4.46Å; I490-Q513 HydrophobicContact CG1-CG 4.28Å
514T91.4Very high91.5Very high4 Ų464.5 Ų64.53%0.02531%0.309CS..  trans-73.6162173.752.60000110.9N438 L485 H486 G488 C489 Y491N438-T514 WeakPolarHBondContact O-CB 3.42Å; L485-T514 HydrophobicContact CB-CG2 3.73Å; L485-T514 HydrophobicContact CD1-CG2 4Å; H486-T514 WeakPolarHBondContact O-CB 3.43Å; H486-T514 PolarHBondContact O-OG1 2.79Å; G488-T514 PolarHBondContact N-OG1 3.28Å; C489-T514 PolarHBondContact N-OG1 2.88Å; C489-T514 VanDerWaalsContact N-OG1 3.08Å; C489-T514 PolarHBondContact O-N 2.88Å; C489-T514 VanDerWaalsContact O-N 3.09Å; C489-T514 PolarHBondContact O-OG1 3.45Å; Y491-T514 HydrophobicContact CD2-CG2 4.04Å; Y491-T514 HydrophobicContact CE2-CG2 3.98Å
515A89.5Confident91.1Very high36 Ų3671.2 Ų71.230%0.29834%0.343SS..  trans-58.6144.9178.400000111.4N438 F487 G488N438-A515 PolarHBondContact O-N 3.06Å; F487-A515 CarbonylContact C-O 3.55Å; F487-A515 WeakPolarHBondContact CA-O 3.49Å; F487-A515 WeakPolarHBondContact CB-O 3.41Å; F487-A515 HydrophobicContact CD1-CB 4.27Å; F487-A515 WeakPolarHBondContact CD1-O 3.45Å; F487-A515 HydrophobicContact CE1-CB 4.46Å; G488-A515 PolarHBondContact N-O 3.45Å
516E86.5Confident90.2Very high145 Ų14567.4 Ų67.468%0.67833%0.326SS*.SBendtrans-71.1-36.6179.2-65.2-175.2170.600112.1
517A85.9Confident89.4Confident26 Ų2665.4 Ų65.422%0.21532%0.323CS..SBendtrans-114.2142.8178.200000111.2W519A517-W519 PolarHBondContact O-N 2.92Å
518A88Confident88.6Confident6 Ų666.4 Ų66.45%0.0533%0.329CS..  trans-75.1113.817700000111F487 F520 L556 G680F487-A518 HydrophobicContact CD1-CB 4.22Å; F487-A518 HydrophobicContact CD2-CB 3.99Å; F487-A518 VanDerWaalsContact CE1-CA 3.48Å; F487-A518 HydrophobicContact CE1-CB 3.9Å; F487-A518 HydrophobicContact CE2-CB 3.61Å; F487-A518 HydrophobicContact CG-CB 4.26Å; F487-A518 HydrophobicContact CZ-CB 3.55Å; A518-F520 HydrophobicContact CB-CD1 4.21Å; A518-F520 WeakPolarHBondContact O-CD1 3.12Å; A518-L556 HydrophobicContact CB-CD2 3.79Å; A518-G680 WeakPolarHBondContact O-CA 3.28Å; A518-G680 PolarHBondContact O-N 3.17Å
519W88.7Confident88.1Confident140 Ų14061.7 Ų61.753%0.5333%0.331SS..  trans-91.9127.5166.9-170.688.6000109.1N438 A517 Q521N438-W519 PolarHBondContact ND2-O 2.92Å; N438-W519 PolarHBondContact OD1-N 3.35Å; N438-W519 PolarHBondContact OD1-O 2.96Å; A517-W519 PolarHBondContact O-N 2.92Å; W519-Q521 HydrophobicContact CH2-CG 3.49Å; W519-Q521 VanDerWaalsContact CH2-CG 3.49Å; W519-Q521 HydrophobicContact CZ2-CG 3.92Å; W519-Q521 HydrophobicContact CZ3-CG 3.91Å
520F92Very high87.9Confident2 Ų259.6 Ų59.61%0.00932%0.315CS..  trans-150.1156.2179.657.8-94.2000110.9A518 V554 W563 P665 L677 S679A518-F520 HydrophobicContact CB-CD1 4.21Å; A518-F520 WeakPolarHBondContact O-CD1 3.12Å; F520-V554 HydrophobicContact CB-CB 3.84Å; F520-V554 HydrophobicContact CB-CG2 3.65Å; F520-W563 HydrophobicContact CE1-CB 4.23Å; F520-W563 HydrophobicContact CE1-CD2 4.36Å; F520-W563 HydrophobicContact CE1-CE3 4.29Å; F520-W563 HydrophobicContact CE1-CG 4.38Å; F520-W563 HydrophobicContact CE2-CG 4.38Å; F520-W563 HydrophobicContact CZ-CB 3.64Å; F520-W563 AromaticContact CZ-CD2 3.68Å; F520-W563 HydrophobicContact CZ-CD2 3.68Å; F520-W563 HydrophobicContact CZ-CE3 4.05Å; F520-W563 AromaticContact CZ-CG 3.52Å; F520-W563 HydrophobicContact CZ-CG 3.52Å; F520-P665 HydrophobicContact CD1-CG 4.29Å; F520-P665 HydrophobicContact CD2-CB 4.24Å; F520-P665 HydrophobicContact CD2-CG 3.85Å; F520-P665 HydrophobicContact CE1-CG 3.86Å; F520-P665 HydrophobicContact CE2-CB 3.55Å; F520-P665 HydrophobicContact CE2-CG 3.37Å; F520-P665 HydrophobicContact CG-CG 4.29Å; F520-P665 HydrophobicContact CZ-CB 3.88Å; F520-P665 HydrophobicContact CZ-CG 3.37Å; F520-L677 HydrophobicContact CD2-CD2 3.7Å; F520-L677 HydrophobicContact CE2-CD1 3.66Å; F520-L677 HydrophobicContact CE2-CD2 3.6Å; F520-L677 HydrophobicContact CE2-CG 4.16Å; F520-L677 HydrophobicContact CZ-CD1 4.22Å; F520-S679 PolarHBondContact N-OG 3.21Å; F520-S679 VanDerWaalsContact N-OG 3.09Å; F520-S679 WeakPolarHBondContact O-CB 3.31Å; F520-S679 PolarHBondContact O-OG 3.06Å
521Q92.6Very high87.7Confident56 Ų5659.4 Ų59.426%0.26232%0.315SS..  trans-116.3172179.2-77.8176.5-38.700109.8W519 D536 N537 G552 T553W519-Q521 HydrophobicContact CH2-CG 3.49Å; W519-Q521 VanDerWaalsContact CH2-CG 3.49Å; W519-Q521 HydrophobicContact CZ2-CG 3.92Å; W519-Q521 HydrophobicContact CZ3-CG 3.91Å; Q521-D536 PolarHBondContact NE2-O 3.25Å; Q521-N537 HydrophobicContact CB-CB 3.75Å; Q521-N537 HydrophobicContact CG-CB 4.09Å; Q521-G552 CarbonylContact O-C 3.52Å; Q521-G552 WeakPolarHBondContact O-CA 3.35Å; Q521-T553 HydrophobicContact CB-CG2 4.29Å; Q521-T553 PolarHBondContact N-OG1 2.73Å; Q521-T553 VanDerWaalsContact N-OG1 3.12Å; Q521-T553 PolarHBondContact O-N 3.5Å; Q521-T553 PolarHBondContact O-OG1 3.15Å
522L93.2Very high87.6Confident1 Ų154.9 Ų54.91%0.00530%0.304CS..BIsolated β-bridgetrans-71.1129.5168.7-63.9160.4000109.5S524 I533 N537 V540 V550 F667 L677L522-S524 PolarHBondContact O-N 3.48Å; L522-I533 HydrophobicContact CB-CD1 4.06Å; L522-I533 HydrophobicContact CB-CG2 4.24Å; L522-I533 HydrophobicContact CD1-CG2 4.32Å; L522-N537 WeakPolarHBondContact CB-O 3.45Å; L522-N537 PolarHBondContact N-O 2.91Å; L522-V540 HydrophobicContact CD1-CB 3.73Å; L522-V540 HydrophobicContact CD1-CG1 3.96Å; L522-V540 HydrophobicContact CD2-CG1 4.18Å; L522-V550 HydrophobicContact CB-CG1 4.13Å; L522-V550 HydrophobicContact CD2-CG1 3.89Å; L522-F667 HydrophobicContact CD2-CD2 3.47Å; L522-F667 VanDerWaalsContact CD2-CD2 3.47Å; L522-F667 HydrophobicContact CD2-CE2 3.65Å; L522-F667 HydrophobicContact CD2-CG 4.33Å; L522-L677 HydrophobicContact CD2-CD2 4.42Å; L522-L677 HydrophobicContact CG-CD2 4.24Å
523N91.5Very high87.5Confident38 Ų3855.9 Ų55.920%0.20331%0.309CS..  trans-79.2110.9179.9-177.1-24000110.6D525 C527 L551 T553N523-D525 WeakPolarHBondContact OD1-CB 3.42Å; N523-D525 PolarHBondContact OD1-N 3.44Å; N523-C527 PolarHBondContact O-SG 3.39Å; N523-L551 VanDerWaalsContact CB-O 3.27Å; N523-L551 WeakPolarHBondContact CB-O 3.3Å; N523-L551 PolarHBondContact N-O 3.08Å; N523-T553 HydrophobicContact CB-CG2 4.06Å
524S88.3Confident87.5Confident53 Ų5353 Ų5337%0.37130%0.297SS..  trans-77.2-27.7177.250.40000114.4L522 S526 C527L522-S524 PolarHBondContact O-N 3.48Å; S524-S526 PolarHBondContact O-N 3.36Å; S524-S526 VanDerWaalsContact O-N 3.15Å; S524-C527 PolarHBondContact O-N 2.84Å; S524-C527 VanDerWaalsContact O-N 3.16Å
525D82.2Confident87.3Confident150 Ų15062 Ų6280%0.80234%0.339SS*.THydrogen-bonded Turntrans-68.9-23.5-162.6-60.5-16.3000113.4N523N523-D525 WeakPolarHBondContact OD1-CB 3.42Å; N523-D525 PolarHBondContact OD1-N 3.44Å
526S75.1Confident87.2Confident51 Ų5165.9 Ų65.936%0.35736%0.355SS..THydrogen-bonded Turntrans-113.912.5179.568.90000114.1S524 R587S524-S526 PolarHBondContact O-N 3.36Å; S524-S526 VanDerWaalsContact O-N 3.15Å; S526-R587 PolarHBondContact OG-NH1 2.91Å
527C78.5Confident87.5Confident31 Ų3161 Ų6121%0.20933%0.333CS..  trans-78.7135.6-175.8-80.80000112.3N523 S524 V531N523-C527 PolarHBondContact O-SG 3.39Å; S524-C527 PolarHBondContact O-N 2.84Å; S524-C527 VanDerWaalsContact O-N 3.16Å; C527-V531 HydrophobicContact CB-CB 4.22Å; C527-V531 HydrophobicContact CB-CG1 4.35Å
528P77.7Confident87.8Confident28 Ų2861.3 Ų61.318%0.18233%0.334CS..  trans-56.1148.8167.2-28.839.7000112D530 V531 R548P528-D530 WeakPolarHBondContact CB-OD1 3.16Å; P528-D530 PolarHBondContact O-N 2.89Å; P528-V531 HydrophobicContact CB-CG2 4.42Å; P528-V531 WeakPolarHBondContact O-CB 3.21Å; P528-V531 PolarHBondContact O-N 3.23Å; P528-R548 HydrophobicContact CB-CG 4.4Å; P528-R548 HydrophobicContact CG-CG 4.39Å
529S84.2Confident88.1Confident131 Ų13161.5 Ų61.592%0.91634%0.335SS*.THydrogen-bonded Turntrans-64.1-14.3-174.559.60000115
530D88.1Confident88.3Confident21 Ų2155 Ų5511%0.11231%0.311CS..THydrogen-bonded Turntrans-85.4-8.4175.854.5-6.5000113.2P528 S542 T543 S544 R548P528-D530 WeakPolarHBondContact CB-OD1 3.16Å; P528-D530 PolarHBondContact O-N 2.89Å; D530-S542 CarbonylContact O-C 3.52Å; D530-S542 VanDerWaalsContact O-CA 3.29Å; D530-S542 WeakPolarHBondContact O-CA 3.23Å; D530-S542 PolarHBondContact O-OG 2.86Å; D530-T543 WeakPolarHBondContact CA-OG1 3.46Å; D530-T543 WeakPolarHBondContact CB-OG1 3.35Å; D530-T543 PolarHBondContact O-N 2.98Å; D530-T543 PolarHBondContact O-OG1 3.31Å; D530-T543 VanDerWaalsContact O-OG1 3.08Å; D530-S544 WeakPolarHBondContact OD2-CB 3.15Å; D530-S544 PolarHBondContact OD2-OG 3.27Å; D530-R548 IonicContact OD1-NE 3.18Å; D530-R548 PolarHBondContact OD1-NE 3.24Å; D530-R548 IonicContact OD2-CZ 2.75Å; D530-R548 VanDerWaalsContact OD2-CZ 3.3Å; D530-R548 IonicContact OD2-NE 2.82Å; D530-R548 PolarHBondContact OD2-NE 3.35Å; D530-R548 IonicContact OD2-NH2 3.47Å; D530-R548 PolarHBondContact OD2-NH2 2.81Å
531V90.3Very high88.3Confident17 Ų1756 Ų5610%0.10332%0.319CS..EExtended strand (participates in β ladder)trans-86.1135.3173.8179.70000110C527 P528 I533 V540 R548 V550C527-V531 HydrophobicContact CB-CB 4.22Å; C527-V531 HydrophobicContact CB-CG1 4.35Å; P528-V531 HydrophobicContact CB-CG2 4.42Å; P528-V531 WeakPolarHBondContact O-CB 3.21Å; P528-V531 PolarHBondContact O-N 3.23Å; V531-I533 HydrophobicContact CG1-CD1 4.49Å; V531-I533 HydrophobicContact CG1-CG1 4.1Å; V531-V540 HydrophobicContact CG1-CG2 3.75Å; V531-R548 HydrophobicContact CG2-CB 3.5Å; V531-R548 VanDerWaalsContact CG2-CB 3.5Å; V531-R548 HydrophobicContact CG2-CG 3.83Å; V531-V550 HydrophobicContact CG1-CG2 3.7Å; V531-V550 HydrophobicContact CG2-CG2 4.38Å
532I90.9Very high88.1Confident95 Ų9553.7 Ų53.749%0.48731%0.309SS..EExtended strand (participates in β ladder)trans-115.2119.2175.7-57.6171.7000107.6V540 A541 T543I532-V540 WeakPolarHBondContact O-CA 3.48Å; I532-A541 PolarHBondContact N-O 3.28Å; I532-A541 PolarHBondContact O-N 3.33Å; I532-T543 HydrophobicContact CD1-CG2 3.56Å; I532-T543 HydrophobicContact CG1-CG2 4.24Å
533I91.4Very high87.9Confident33 Ų3357.9 Ų57.917%0.16934%0.335CS..EExtended strand (participates in β ladder)trans-109.8141171.6-62.7173.2000107.7L522 V531 N537 S539 V540 V550L522-I533 HydrophobicContact CB-CD1 4.06Å; L522-I533 HydrophobicContact CB-CG2 4.24Å; L522-I533 HydrophobicContact CD1-CG2 4.32Å; V531-I533 HydrophobicContact CG1-CD1 4.49Å; V531-I533 HydrophobicContact CG1-CG1 4.1Å; I533-N537 HydrophobicContact CG2-CB 4.16Å; I533-N537 WeakPolarHBondContact CG2-OD1 3.4Å; I533-S539 VanDerWaalsContact CA-O 3.31Å; I533-S539 WeakPolarHBondContact CA-O 3.4Å; I533-V540 HydrophobicContact CG1-CB 4.47Å; I533-V540 HydrophobicContact CG1-CG2 4.27Å; I533-V550 HydrophobicContact CD1-CG1 4.08Å
534D91.1Very high87.6Confident49 Ų4957.1 Ų57.126%0.26233%0.333SS..  trans-70.5172177.166.90.5000112.8D536 N537 S538 S539D534-D536 PolarHBondContact O-N 2.83Å; D534-N537 PolarHBondContact O-N 2.81Å; D534-N537 PolarHBondContact O-OD1 2.8Å; D534-N537 WeakPolarHBondContact OD1-CA 3.36Å; D534-N537 PolarHBondContact OD1-N 2.86Å; D534-S538 PolarHBondContact OD1-N 3.23Å; D534-S538 PolarHBondContact OD2-OG 3Å; D534-S539 VanDerWaalsContact CG-N 3.26Å; D534-S539 PolarHBondContact N-O 3.23Å; D534-S539 VanDerWaalsContact N-O 3.11Å; D534-S539 PolarHBondContact OD1-N 3.21Å; D534-S539 WeakPolarHBondContact OD2-CB 2.85Å; D534-S539 PolarHBondContact OD2-N 3.33Å; D534-S539 VanDerWaalsContact OD2-N 3.09Å; D534-S539 PolarHBondContact OD2-OG 2.8Å
535Q87Confident87.5Confident194 Ų19459.4 Ų59.491%0.90734%0.341SS*.THydrogen-bonded Turntrans-64.1-26.7-177.5-68.6-178.7-5.500113.1N537Q535-N537 VanDerWaalsContact C-N 3.32Å
536D88.7Confident87.7Confident117 Ų11757.7 Ų57.763%0.62633%0.328SS*.THydrogen-bonded Turntrans-89.43.2-179.2-61.7-39.5000112.8Q521 D534 S538Q521-D536 PolarHBondContact NE2-O 3.25Å; D534-D536 PolarHBondContact O-N 2.83Å; D536-S538 PolarHBondContact O-N 2.85Å; D536-S538 VanDerWaalsContact O-N 3.13Å
537N91.3Very high88.4Confident41 Ų4157 Ų5722%0.21932%0.318CS..SBendtrans48.734.7-173.2-67.1-23.2000113.8Q521 L522 I533 D534 Q535Q521-N537 HydrophobicContact CB-CB 3.75Å; Q521-N537 HydrophobicContact CG-CB 4.09Å; L522-N537 WeakPolarHBondContact CB-O 3.45Å; L522-N537 PolarHBondContact N-O 2.91Å; I533-N537 HydrophobicContact CG2-CB 4.16Å; I533-N537 WeakPolarHBondContact CG2-OD1 3.4Å; D534-N537 PolarHBondContact O-N 2.81Å; D534-N537 PolarHBondContact O-OD1 2.8Å; D534-N537 WeakPolarHBondContact OD1-CA 3.36Å; D534-N537 PolarHBondContact OD1-N 2.86Å; Q535-N537 VanDerWaalsContact C-N 3.32Å
538S93.3Very high88.9Confident33 Ų3356.8 Ų56.823%0.23131%0.312CS..  trans-108.8-29.1-175.880.90000112.2D534 D536 T676 L677D534-S538 PolarHBondContact OD1-N 3.23Å; D534-S538 PolarHBondContact OD2-OG 3Å; D536-S538 PolarHBondContact O-N 2.85Å; D536-S538 VanDerWaalsContact O-N 3.13Å; S538-T676 CarbonylContact O-C 3.47Å; S538-T676 WeakPolarHBondContact O-CA 3.45Å; S538-L677 WeakPolarHBondContact O-CB 3.35Å; S538-L677 PolarHBondContact O-N 3.07Å
539S93.2Very high89.7Confident11 Ų1155.5 Ų55.58%0.07730%0.304CS..EExtended strand (participates in β ladder)trans-119.9144.7-178.2-48.30000112I533 D534 H674 L675 T676I533-S539 VanDerWaalsContact CA-O 3.31Å; I533-S539 WeakPolarHBondContact CA-O 3.4Å; D534-S539 VanDerWaalsContact CG-N 3.26Å; D534-S539 PolarHBondContact N-O 3.23Å; D534-S539 VanDerWaalsContact N-O 3.11Å; D534-S539 PolarHBondContact OD1-N 3.21Å; D534-S539 WeakPolarHBondContact OD2-CB 2.85Å; D534-S539 PolarHBondContact OD2-N 3.33Å; D534-S539 VanDerWaalsContact OD2-N 3.09Å; D534-S539 PolarHBondContact OD2-OG 2.8Å; S539-H674 WeakPolarHBondContact CB-NE2 3.47Å; S539-L675 CarbonylContact C-O 3.3Å; S539-L675 WeakPolarHBondContact CA-O 2.79Å; S539-T676 WeakPolarHBondContact OG-CG2 3.44Å; S539-T676 PolarHBondContact OG-OG1 3.45Å
540V93.4Very high90.2Very high2 Ų249.2 Ų49.21%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-133133.9-178.357.20000111.5L522 V531 I532 I533 V550 V669 H674 L675L522-V540 HydrophobicContact CD1-CB 3.73Å; L522-V540 HydrophobicContact CD1-CG1 3.96Å; L522-V540 HydrophobicContact CD2-CG1 4.18Å; V531-V540 HydrophobicContact CG1-CG2 3.75Å; I532-V540 WeakPolarHBondContact O-CA 3.48Å; I533-V540 HydrophobicContact CG1-CB 4.47Å; I533-V540 HydrophobicContact CG1-CG2 4.27Å; V540-V550 HydrophobicContact CG2-CG2 3.9Å; V540-V669 HydrophobicContact CB-CG1 4.26Å; V540-V669 HydrophobicContact CG1-CG1 3.68Å; V540-V669 HydrophobicContact CG2-CB 4.29Å; V540-V669 HydrophobicContact CG2-CG1 3.79Å; V540-V669 HydrophobicContact CG2-CG2 3.66Å; V540-H674 PolarHBondContact O-CD2 2.98Å; V540-L675 HydrophobicContact CG1-CB 3.98Å; V540-L675 PolarHBondContact N-O 3.07Å; V540-L675 PolarHBondContact O-N 2.78Å
541A91.6Very high90.5Very high23 Ų2348.4 Ų48.419%0.1926%0.256CS..EExtended strand (participates in β ladder)trans-131.9175167.600000110I532I532-A541 PolarHBondContact N-O 3.28Å; I532-A541 PolarHBondContact O-N 3.33Å
542S88.9Confident90.7Very high8 Ų847.6 Ų47.66%0.05625%0.251CS..EExtended strand (participates in β ladder)trans-133.5157.2168.5174.90000110.1D530 S544 R671D530-S542 CarbonylContact O-C 3.52Å; D530-S542 VanDerWaalsContact O-CA 3.29Å; D530-S542 WeakPolarHBondContact O-CA 3.23Å; D530-S542 PolarHBondContact O-OG 2.86Å; S542-S544 PolarHBondContact OG-N 3.45Å; S542-R671 WeakPolarHBondContact O-CA 3.45Å
543T88.7Confident90.8Very high89 Ų8946.1 Ų46.155%0.54625%0.246SC..SBendtrans-94-12.4168.955.70000111.7D530 I532D530-T543 WeakPolarHBondContact CA-OG1 3.46Å; D530-T543 WeakPolarHBondContact CB-OG1 3.35Å; D530-T543 PolarHBondContact O-N 2.98Å; D530-T543 PolarHBondContact O-OG1 3.31Å; D530-T543 VanDerWaalsContact O-OG1 3.08Å; I532-T543 HydrophobicContact CD1-CG2 3.56Å; I532-T543 HydrophobicContact CG1-CG2 4.24Å
544S85.8Confident90.8Very high23 Ų2345 Ų4516%0.16124%0.241CC..SBendtrans-92.5149.4-175.8-176.30000112.8D530 S542 E546 N670 R671D530-S544 WeakPolarHBondContact OD2-CB 3.15Å; D530-S544 PolarHBondContact OD2-OG 3.27Å; S542-S544 PolarHBondContact OG-N 3.45Å; S544-E546 VanDerWaalsContact C-N 3.26Å; S544-E546 PolarHBondContact OG-N 3.14Å; S544-N670 CarbonylContact O-C 3.59Å; S544-R671 WeakPolarHBondContact O-CB 3.13Å; S544-R671 PolarHBondContact O-N 3.39Å
545L86Confident90.9Very high101 Ų10143.4 Ų43.453%0.52924%0.236SC..SBendtrans-72.8-22.9167-86.4170.3000112.5R671L545-R671 HydrophobicContact CD2-CG 4.04Å; L545-R671 HydrophobicContact CG-CG 4.36Å
546E87.5Confident91.2Very high114 Ų11434.2 Ų34.253%0.53319%0.193SC..SBendtrans-77.5145.1177.8-60.8-174.6161.700110.6S544 R548S544-E546 VanDerWaalsContact C-N 3.26Å; S544-E546 PolarHBondContact OG-N 3.14Å; E546-R548 IonicContact OE2-CZ 2.72Å; E546-R548 VanDerWaalsContact OE2-CZ 3.29Å; E546-R548 IonicContact OE2-NH1 3.96Å; E546-R548 PolarHBondContact OE2-NH1 2.86Å; E546-R548 IonicContact OE2-NH2 3.71Å; E546-R548 PolarHBondContact OE2-NH2 3.04Å
547Y88.5Confident91.3Very high36 Ų3631.7 Ų31.714%0.14118%0.184CC..  trans-70.2131.3172.9-71.2-74.3000110.9D575 M590 V669 N670Y547-D575 WeakPolarHBondContact OH-CB 3.4Å; Y547-D575 PolarHBondContact OH-OD2 3.49Å; Y547-M590 HydrophobicContact CD1-CG 4.44Å; Y547-M590 HydrophobicContact CD1-SD 4.45Å; Y547-M590 HydrophobicContact CD2-CB 3.85Å; Y547-M590 HydrophobicContact CD2-CE 4.35Å; Y547-M590 HydrophobicContact CD2-CG 4.15Å; Y547-M590 HydrophobicContact CD2-SD 3.79Å; Y547-M590 HydrophobicContact CE1-SD 4.4Å; Y547-M590 HydrophobicContact CE2-CE 4.31Å; Y547-M590 HydrophobicContact CE2-SD 3.71Å; Y547-M590 HydrophobicContact CG-CB 3.81Å; Y547-M590 HydrophobicContact CG-CG 4.06Å; Y547-M590 HydrophobicContact CG-SD 4.17Å; Y547-V669 WeakPolarHBondContact CA-O 3.31Å; Y547-N670 HydrophobicContact CD1-CB 4.13Å; Y547-N670 HydrophobicContact CE1-CB 4.03Å; Y547-N670 WeakPolarHBondContact CE1-ND2 3.16Å; Y547-N670 PolarHBondContact OH-ND2 2.88Å
548R90.2Very high91.2Very high27 Ų2733.1 Ų33.110%0.10219%0.187CC..EExtended strand (participates in β ladder)trans-117.4136.3169.9-59.9-55.2-170.8-137.2-9.5110.1P528 D530 V531 E546 R587 S668 V669P528-R548 HydrophobicContact CB-CG 4.4Å; P528-R548 HydrophobicContact CG-CG 4.39Å; D530-R548 IonicContact OD1-NE 3.18Å; D530-R548 PolarHBondContact OD1-NE 3.24Å; D530-R548 IonicContact OD2-CZ 2.75Å; D530-R548 VanDerWaalsContact OD2-CZ 3.3Å; D530-R548 IonicContact OD2-NE 2.82Å; D530-R548 PolarHBondContact OD2-NE 3.35Å; D530-R548 IonicContact OD2-NH2 3.47Å; D530-R548 PolarHBondContact OD2-NH2 2.81Å; V531-R548 HydrophobicContact CG2-CB 3.5Å; V531-R548 VanDerWaalsContact CG2-CB 3.5Å; V531-R548 HydrophobicContact CG2-CG 3.83Å; E546-R548 IonicContact OE2-CZ 2.72Å; E546-R548 VanDerWaalsContact OE2-CZ 3.29Å; E546-R548 IonicContact OE2-NH1 3.96Å; E546-R548 PolarHBondContact OE2-NH1 2.86Å; E546-R548 IonicContact OE2-NH2 3.71Å; E546-R548 PolarHBondContact OE2-NH2 3.04Å; R548-R587 WeakPolarHBondContact CA-O 3.35Å; R548-S668 VanDerWaalsContact O-CA 3.27Å; R548-S668 WeakPolarHBondContact O-CA 3.4Å; R548-V669 PolarHBondContact N-O 3.34Å; R548-V669 PolarHBondContact O-N 3.27Å
549V93.1Very high91Very high0 Ų032.5 Ų32.50%019%0.186CC..EExtended strand (participates in β ladder)trans-95.1123178.4177.20000110L551 V585 R587 T589 L591 A666 F667V549-L551 HydrophobicContact CG1-CD2 4.3Å; V549-V585 HydrophobicContact CG1-CG1 4.01Å; V549-V585 HydrophobicContact CG1-CG2 4.45Å; V549-R587 PolarHBondContact N-O 3.38Å; V549-T589 WeakPolarHBondContact CG2-O 3.33Å; V549-L591 HydrophobicContact CG1-CD1 4.33Å; V549-L591 HydrophobicContact CG2-CB 4.03Å; V549-A666 HydrophobicContact CG1-CB 4.48Å; V549-F667 CarbonylContact C-O 3.53Å; V549-F667 WeakPolarHBondContact CA-O 3.49Å
550V94.4Very high91Very high0 Ų039.6 Ų39.60%021%0.211CC..EExtended strand (participates in β ladder)trans-108.1134.3171.8-176.70000108.2L522 V531 I533 V540 A666 F667 V669L522-V550 HydrophobicContact CB-CG1 4.13Å; L522-V550 HydrophobicContact CD2-CG1 3.89Å; V531-V550 HydrophobicContact CG1-CG2 3.7Å; V531-V550 HydrophobicContact CG2-CG2 4.38Å; I533-V550 HydrophobicContact CD1-CG1 4.08Å; V540-V550 HydrophobicContact CG2-CG2 3.9Å; V550-A666 WeakPolarHBondContact O-CA 3.23Å; V550-F667 PolarHBondContact N-O 3.35Å; V550-F667 PolarHBondContact O-N 3.27Å; V550-V669 HydrophobicContact CG2-CG2 4.45Å
551L95.5Very high91Very high3 Ų339.9 Ų39.92%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-100.1157.9175.8-69.5-171.4000110.9N523 V549 A581 V585 R587 Y664 P665 A666N523-L551 VanDerWaalsContact CB-O 3.27Å; N523-L551 WeakPolarHBondContact CB-O 3.3Å; N523-L551 PolarHBondContact N-O 3.08Å; V549-L551 HydrophobicContact CG1-CD2 4.3Å; L551-A581 HydrophobicContact CD2-CB 3.92Å; L551-V585 HydrophobicContact CD1-CG1 4.2Å; L551-V585 HydrophobicContact CD2-CG1 3.98Å; L551-V585 HydrophobicContact CG-CG1 4.29Å; L551-R587 VanDerWaalsContact CD1-CZ 3.5Å; L551-R587 VanDerWaalsContact CG-CZ 3.48Å; L551-R587 VanDerWaalsContact CG-NH1 3.35Å; L551-Y664 HydrophobicContact CD1-CD2 4.37Å; L551-Y664 HydrophobicContact CD1-CG 4.13Å; L551-P665 CarbonylContact C-O 3.56Å; L551-P665 VanDerWaalsContact CA-O 3.29Å; L551-P665 WeakPolarHBondContact CA-O 3.41Å; L551-A666 HydrophobicContact CD2-CB 3.51Å
552G94.5Very high91.2Very high0 Ų039.7 Ų39.70%021%0.206CC..BIsolated β-bridgetrans-70160.416300000111.7Q521 V554 Y664 P665Q521-G552 CarbonylContact O-C 3.52Å; Q521-G552 WeakPolarHBondContact O-CA 3.35Å; G552-V554 VanDerWaalsContact C-N 3.33Å; G552-Y664 WeakPolarHBondContact O-CD1 3.43Å; G552-P665 PolarHBondContact N-O 2.96Å
553T92.6Very high91.6Very high64 Ų6439.3 Ų39.339%0.39320%0.204SC..SBendtrans-74.9-19.9178.850.70000113.9Q521 N523Q521-T553 HydrophobicContact CB-CG2 4.29Å; Q521-T553 PolarHBondContact N-OG1 2.73Å; Q521-T553 VanDerWaalsContact N-OG1 3.12Å; Q521-T553 PolarHBondContact O-N 3.5Å; Q521-T553 PolarHBondContact O-OG1 3.15Å; N523-T553 HydrophobicContact CB-CG2 4.06Å
554V91.8Very high92Very high10 Ų1037.4 Ų37.46%0.06119%0.189CC..SBendtrans-114.1127.2-173.5-179.30000111.4F487 F520 G552 L556 P665F487-V554 HydrophobicContact CE2-CG1 3.73Å; F487-V554 HydrophobicContact CZ-CG1 3.87Å; F520-V554 HydrophobicContact CB-CB 3.84Å; F520-V554 HydrophobicContact CB-CG2 3.65Å; G552-V554 VanDerWaalsContact C-N 3.33Å; V554-L556 HydrophobicContact CG1-CD2 4.02Å; V554-P665 WeakPolarHBondContact O-CD 3.34Å
555G92.6Very high92.5Very high15 Ų1536.3 Ų36.316%0.15518%0.181CC..  trans-86.3130.9171.900000111.8Y664G555-Y664 VanDerWaalsContact CA-CE1 3.49Å; G555-Y664 VanDerWaalsContact N-CE1 3.3Å
556L93.5Very high93Very high2 Ų233.9 Ų33.91%0.0117%0.168CC..BIsolated β-bridgetrans-110122-174.4-54.2172.3000110F487 A518 V554 H561 W563 L633 L663 P665F487-L556 HydrophobicContact CD2-CD2 4.32Å; F487-L556 HydrophobicContact CE2-CD2 3.96Å; A518-L556 HydrophobicContact CB-CD2 3.79Å; V554-L556 HydrophobicContact CG1-CD2 4.02Å; L556-H561 HydrophobicContact CD1-CB 3.73Å; L556-W563 HydrophobicContact CD1-CH2 4.37Å; L556-W563 HydrophobicContact CD1-CZ3 3.86Å; L556-L633 HydrophobicContact CB-CD2 3.91Å; L556-L633 HydrophobicContact CD1-CD2 4Å; L556-L663 WeakPolarHBondContact CB-O 3.32Å; L556-L663 PolarHBondContact N-O 2.85Å; L556-L663 PolarHBondContact O-N 3Å; L556-P665 HydrophobicContact CD1-CG 4.35Å
557S91.8Very high93.3Very high63 Ų6328.4 Ų28.444%0.44114%0.143SC..  trans-128.3-13.5-172.759.60000114.8
558R89.3Confident93.4Very high72 Ų7228.8 Ų28.827%0.27215%0.151SC..SBendtrans-150151.8-177.6-169.2-179.5170.3-161.7-9.3110.6H486 H561 D636H486-R558 WeakPolarHBondContact CD2-CB 3.33Å; R558-H561 PolarHBondContact O-NE2 2.94Å; R558-D636 WeakPolarHBondContact CG-OD1 3.18Å
559G89.2Confident93.2Very high20 Ų2033.9 Ų33.921%0.20617%0.17CC..SBendtrans81.4-168.1178.600000113.2C635 D636G559-C635 WeakPolarHBondContact O-CB 3.4Å; G559-C635 PolarHBondContact O-N 3.15Å; G559-D636 WeakPolarHBondContact CA-OD2 3.46Å; G559-D636 PolarHBondContact N-OD1 2.99Å; G559-D636 PolarHBondContact N-OD2 3.33Å
560R92.5Very high92.8Very high159 Ų15934.8 Ų34.860%0.617%0.174SC*.EExtended strand (participates in β ladder)trans-116.8131.2-179.2-67.2178.1167.3-176.8-6.1109.8L633 D634 I683R560-L633 WeakPolarHBondContact CA-O 3.29Å; R560-D634 HydrophobicContact CG-CB 4.13Å; R560-D634 IonicContact CZ-OD2 2.85Å; R560-D634 IonicContact NE-OD1 3.2Å; R560-D634 IonicContact NE-OD2 3.89Å; R560-D634 PolarHBondContact NE-OD2 3.11Å; R560-D634 IonicContact NH2-OD2 2.74Å; R560-D634 PolarHBondContact NH2-OD2 2.98Å; R560-I683 HydrophobicContact CB-CD1 3.46Å; R560-I683 VanDerWaalsContact CB-CD1 3.46Å
561H94Very high92.2Very high9 Ų937.5 Ų37.54%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-130.8134.2-173.4-59.6-76.9000110.3F487 L556 R558 W563 L632 L633F487-H561 AromaticContact CD2-CE1 3.71Å; L556-H561 HydrophobicContact CD1-CB 3.73Å; R558-H561 PolarHBondContact O-NE2 2.94Å; H561-W563 HydrophobicContact CB-CZ3 4.18Å; H561-L632 WeakPolarHBondContact O-CA 3.43Å; H561-L633 PolarHBondContact N-O 2.95Å; H561-L633 PolarHBondContact O-N 2.82Å
562Y95.3Very high91.1Very high18 Ų1841.5 Ų41.57%0.07122%0.222CC..EExtended strand (participates in β ladder)trans-127.8139.2178.1-176.7-103.2000110.9E564 G630 I631 L632 I681 P684Y562-E564 HydrophobicContact CD1-CG 4.49Å; Y562-E564 HydrophobicContact CE1-CG 3.51Å; Y562-E564 WeakPolarHBondContact CE1-OE1 3.49Å; Y562-E564 WeakPolarHBondContact OH-CG 3.41Å; Y562-E564 PolarHBondContact OH-OE1 3.12Å; Y562-G630 WeakPolarHBondContact OH-CA 3.44Å; Y562-I631 WeakPolarHBondContact CA-O 3.48Å; Y562-I631 VanDerWaalsContact CD2-O 3.23Å; Y562-I631 WeakPolarHBondContact CD2-O 3.36Å; Y562-L632 HydrophobicContact CD2-CB 4.05Å; Y562-I681 HydrophobicContact CD1-CB 4.15Å; Y562-I681 HydrophobicContact CD1-CG2 4.01Å; Y562-I681 HydrophobicContact CE1-CG2 4.18Å; Y562-P684 VanDerWaalsContact CD1-CD 3.49Å; Y562-P684 HydrophobicContact CD1-CG 4.07Å; Y562-P684 HydrophobicContact CE1-CG 3.56Å; Y562-P684 HydrophobicContact CE2-CG 4.3Å
563W97Very high90Very high0 Ų044 Ų440%024%0.24CC..EExtended strand (participates in β ladder)trans-149.8162.8171.96497.7000110.1F520 L556 H561 V580 I631 L633 P665 L677 H678F520-W563 HydrophobicContact CE1-CB 4.23Å; F520-W563 HydrophobicContact CE1-CD2 4.36Å; F520-W563 HydrophobicContact CE1-CE3 4.29Å; F520-W563 HydrophobicContact CE1-CG 4.38Å; F520-W563 HydrophobicContact CE2-CG 4.38Å; F520-W563 HydrophobicContact CZ-CB 3.64Å; F520-W563 AromaticContact CZ-CD2 3.68Å; F520-W563 HydrophobicContact CZ-CD2 3.68Å; F520-W563 HydrophobicContact CZ-CE3 4.05Å; F520-W563 AromaticContact CZ-CG 3.52Å; F520-W563 HydrophobicContact CZ-CG 3.52Å; L556-W563 HydrophobicContact CD1-CH2 4.37Å; L556-W563 HydrophobicContact CD1-CZ3 3.86Å; H561-W563 HydrophobicContact CB-CZ3 4.18Å; W563-V580 HydrophobicContact CH2-CG1 3.59Å; W563-V580 HydrophobicContact CZ2-CG1 3.83Å; W563-I631 HydrophobicContact CD2-CB 4.03Å; W563-I631 HydrophobicContact CD2-CG2 4.42Å; W563-I631 HydrophobicContact CG-CB 4.46Å; W563-I631 HydrophobicContact CH2-CB 4.38Å; W563-I631 HydrophobicContact CH2-CG2 3.72Å; W563-I631 HydrophobicContact CZ2-CB 3.78Å; W563-I631 HydrophobicContact CZ2-CG1 4.41Å; W563-I631 HydrophobicContact CZ2-CG2 3.36Å; W563-I631 HydrophobicContact CZ3-CG2 4.39Å; W563-I631 PolarHBondContact N-O 3.25Å; W563-I631 VanDerWaalsContact N-O 3.17Å; W563-I631 PolarHBondContact O-N 3Å; W563-L633 HydrophobicContact CH2-CB 4.01Å; W563-L633 HydrophobicContact CH2-CD2 4.49Å; W563-L633 HydrophobicContact CZ3-CB 3.96Å; W563-P665 HydrophobicContact CH2-CB 4.45Å; W563-P665 HydrophobicContact CH2-CG 4.19Å; W563-P665 HydrophobicContact CZ2-CB 3.8Å; W563-P665 HydrophobicContact CZ2-CG 4.02Å; W563-L677 HydrophobicContact CB-CD1 4.5Å; W563-L677 HydrophobicContact CG-CD1 4.45Å; W563-H678 WeakPolarHBondContact CB-O 3.34Å
564E97Very high89.2Confident49 Ų4941.1 Ų41.123%0.22922%0.222CC..EExtended strand (participates in β ladder)trans-122.9149.6-178.5-66.1-171.9158.100111.4Y562 V628 I629 H678 I681Y562-E564 HydrophobicContact CD1-CG 4.49Å; Y562-E564 HydrophobicContact CE1-CG 3.51Å; Y562-E564 WeakPolarHBondContact CE1-OE1 3.49Å; Y562-E564 WeakPolarHBondContact OH-CG 3.41Å; Y562-E564 PolarHBondContact OH-OE1 3.12Å; E564-V628 HydrophobicContact CB-CG1 3.75Å; E564-V628 HydrophobicContact CG-CG1 4.02Å; E564-V628 WeakPolarHBondContact OE2-CG1 3.46Å; E564-I629 CarbonylContact C-O 3.47Å; E564-I629 WeakPolarHBondContact CA-O 3.32Å; E564-H678 HydrophobicContact CB-CB 4.35Å; E564-H678 PolarHBondContact N-O 3.03Å; E564-H678 PolarHBondContact O-N 2.87Å; E564-I681 HydrophobicContact CB-CD1 3.89Å; E564-I681 HydrophobicContact CG-CD1 3.81Å
565V96.6Very high88.8Confident1 Ų142.3 Ų42.31%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-124.5115174.8-177.10000108.3V578 I629 I631 F667 L675 T676V565-V578 HydrophobicContact CG1-CG1 4.35Å; V565-V578 HydrophobicContact CG2-CG1 4.35Å; V565-I629 HydrophobicContact CB-CB 4.5Å; V565-I629 PolarHBondContact N-O 2.86Å; V565-I629 PolarHBondContact O-N 2.82Å; V565-I631 HydrophobicContact CG2-CD1 3.84Å; V565-F667 HydrophobicContact CG2-CD1 3.94Å; V565-F667 HydrophobicContact CG2-CE1 3.47Å; V565-F667 VanDerWaalsContact CG2-CE1 3.47Å; V565-L675 HydrophobicContact CG1-CB 3.86Å; V565-L675 HydrophobicContact CG1-CD1 4.33Å; V565-L675 HydrophobicContact CG1-CD2 4.18Å; V565-L675 HydrophobicContact CG1-CG 4.35Å; V565-T676 CarbonylContact C-O 3.51Å; V565-T676 WeakPolarHBondContact CA-O 3.45Å
566L96.3Very high88.8Confident49 Ų4941.6 Ų41.626%0.25722%0.221SC..EExtended strand (participates in β ladder)trans-81.2127.8171.6176.766.8000109.6S568 V628 L675 T676L566-S568 PolarHBondContact O-N 3.03Å; L566-S568 VanDerWaalsContact O-N 3.12Å; L566-V628 HydrophobicContact CD1-CG2 3.98Å; L566-L675 WeakPolarHBondContact O-CA 3.24Å; L566-T676 PolarHBondContact N-O 3.31Å; L566-T676 PolarHBondContact O-N 3.07Å
567V93.8Very high88.9Confident0 Ų041.5 Ų41.50%022%0.22CC..EExtended strand (participates in β ladder)trans-83.684.4172.5-175.50000108.5H570 V576 I623 G626 S627 I629 L675V567-H570 HydrophobicContact CG1-CB 3.76Å; V567-V576 HydrophobicContact CG1-CG2 4.41Å; V567-I623 HydrophobicContact CG1-CD1 4.21Å; V567-I623 HydrophobicContact CG2-CD1 3.86Å; V567-G626 PolarHBondContact O-N 2.85Å; V567-S627 WeakPolarHBondContact CG2-O 3.14Å; V567-S627 PolarHBondContact N-O 2.88Å; V567-I629 HydrophobicContact CG2-CD1 4.08Å; V567-I629 HydrophobicContact CG2-CG1 4.38Å; V567-L675 HydrophobicContact CG2-CD2 4.31Å
568S90Very high89.1Confident44 Ų4438.5 Ų38.531%0.30820%0.199SC..EExtended strand (participates in β ladder)trans-68.4-39.1-174.4-62.40000112.8L566 H674 T676L566-S568 PolarHBondContact O-N 3.03Å; L566-S568 VanDerWaalsContact O-N 3.12Å; S568-H674 VanDerWaalsContact CB-ND1 3.33Å; S568-H674 WeakPolarHBondContact CB-ND1 3.17Å; S568-H674 WeakPolarHBondContact CB-O 3.48Å; S568-H674 PolarHBondContact N-O 2.87Å; S568-T676 PolarHBondContact OG-OG1 3.16Å
569R86.4Confident89.5Confident134 Ų13435.1 Ų35.151%0.50619%0.187SC..EExtended strand (participates in β ladder)trans-138.4137.9173.1-174.2-179.6169.7-162.3-2.6109.8D571 A673 H674R569-D571 WeakPolarHBondContact CG-OD1 3.42Å; R569-D571 IonicContact CZ-OD2 3.42Å; R569-D571 VanDerWaalsContact NE-CG 3.34Å; R569-D571 IonicContact NE-OD1 3.09Å; R569-D571 PolarHBondContact NE-OD1 3.46Å; R569-D571 IonicContact NE-OD2 3.73Å; R569-D571 PolarHBondContact NE-OD2 3.31Å; R569-D571 IonicContact NH2-OD2 2.58Å; R569-D571 PolarHBondContact NH2-OD2 2.87Å; R569-A673 WeakPolarHBondContact O-CA 3.46Å; R569-H674 HydrophobicContact CB-CB 3.63Å; R569-H674 PolarHBondContact N-O 2.97Å; R569-H674 VanDerWaalsContact N-O 3.15Å; R569-H674 PolarHBondContact O-N 2.94Å
570H85.1Confident90Very high18 Ų1834.1 Ų34.18%0.08318%0.177CC..EExtended strand (participates in β ladder)trans-145.397.4-177.9-174.6-109.8000108.8V567 A574 P625V567-H570 HydrophobicContact CG1-CB 3.76Å; H570-A574 PolarHBondContact CD2-O 2.8Å; H570-A574 PolarHBondContact NE2-O 3.17Å; H570-P625 HydrophobicContact CB-CG 4.05Å
571D81.6Confident90.2Very high58 Ų5826.6 Ų26.631%0.3115%0.148SC..  trans-111.3154.6-174.7-70.94.8000111.2R569 S573 A574 N672R569-D571 WeakPolarHBondContact CG-OD1 3.42Å; R569-D571 IonicContact CZ-OD2 3.42Å; R569-D571 VanDerWaalsContact NE-CG 3.34Å; R569-D571 IonicContact NE-OD1 3.09Å; R569-D571 PolarHBondContact NE-OD1 3.46Å; R569-D571 IonicContact NE-OD2 3.73Å; R569-D571 PolarHBondContact NE-OD2 3.31Å; R569-D571 IonicContact NH2-OD2 2.58Å; R569-D571 PolarHBondContact NH2-OD2 2.87Å; D571-S573 PolarHBondContact O-N 2.84Å; D571-A574 VanDerWaalsContact O-CB 3.29Å; D571-A574 WeakPolarHBondContact O-CB 3.29Å; D571-A574 PolarHBondContact O-N 3.12Å; D571-N672 PolarHBondContact N-O 3.05Å
572A72.4Confident90.3Very high86 Ų8626.8 Ų26.871%0.71115%0.15SC*.THydrogen-bonded Turntrans49.538169.100000114.3A574A572-A574 PolarHBondContact O-N 2.79Å
573S71.9Confident90.3Very high54 Ų5431.8 Ų31.838%0.37817%0.174SC..THydrogen-bonded Turntrans5638.5-177.3-41.90000112.6D571 D575 E604D571-S573 PolarHBondContact O-N 2.84Å; S573-D575 PolarHBondContact O-N 2.9Å; S573-E604 WeakPolarHBondContact CB-OE2 3.36Å; S573-E604 PolarHBondContact OG-OE1 2.87Å; S573-E604 PolarHBondContact OG-OE2 2.95Å
574A75.5Confident90.2Very high3 Ų338.4 Ų38.43%0.02521%0.205CC..PPolyproline II helixtrans-52139.4179.600000111.6H570 D571 A572 N672 A673H570-A574 PolarHBondContact CD2-O 2.8Å; H570-A574 PolarHBondContact NE2-O 3.17Å; D571-A574 VanDerWaalsContact O-CB 3.29Å; D571-A574 WeakPolarHBondContact O-CB 3.29Å; D571-A574 PolarHBondContact O-N 3.12Å; A572-A574 PolarHBondContact O-N 2.79Å; A574-N672 HydrophobicContact CB-CB 3.5Å; A574-N672 WeakPolarHBondContact CB-O 3.19Å; A574-A673 HydrophobicContact CB-CB 4.22Å
575D84.4Confident90.1Very high35 Ų3536.4 Ų36.419%0.18720%0.196CC..PPolyproline II helixtrans-84.8129.3170.1-33.2-56.6000108.9Y547 S573 Y601Y547-D575 WeakPolarHBondContact OH-CB 3.4Å; Y547-D575 PolarHBondContact OH-OD2 3.49Å; S573-D575 PolarHBondContact O-N 2.9Å; D575-Y601 HydrophobicContact CB-CD2 4Å; D575-Y601 HydrophobicContact CB-CE1 3.97Å; D575-Y601 HydrophobicContact CB-CE2 3.33Å; D575-Y601 VanDerWaalsContact CG-CE2 3.4Å; D575-Y601 PolarHBondContact OD1-OH 2.87Å; D575-Y601 PolarHBondContact OD2-OH 3.46Å; D575-Y601 VanDerWaalsContact OD2-OH 3.09Å
576V91.6Very high90Very high0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-100.6129.1170.11740000107.4V567 V578 I602 I623 I629 A673 L675V567-V576 HydrophobicContact CG1-CG2 4.41Å; V576-V578 HydrophobicContact CG1-CG1 3.93Å; V576-I602 HydrophobicContact CB-CG2 4.03Å; V576-I602 HydrophobicContact CG1-CG2 4.4Å; V576-I602 PolarHBondContact N-O 3.5Å; V576-I602 PolarHBondContact O-N 3.44Å; V576-I623 HydrophobicContact CB-CD1 3.75Å; V576-I623 HydrophobicContact CG1-CD1 4.48Å; V576-I623 HydrophobicContact CG2-CD1 3.58Å; V576-I629 HydrophobicContact CG1-CD1 3.92Å; V576-A673 HydrophobicContact CG2-CB 4.2Å; V576-L675 HydrophobicContact CG1-CD1 4.07Å; V576-L675 HydrophobicContact CG1-CD2 3.73Å; V576-L675 HydrophobicContact CG2-CD2 4.01Å
577V95.5Very high89.7Confident0 Ų038.7 Ų38.70%021%0.209CC..EExtended strand (participates in β ladder)trans-126117.5177.5-169.50000109.7M590 L591 M600 Y601 S668V577-M590 HydrophobicContact CB-CG 4.36Å; V577-M590 HydrophobicContact CG1-CG 4.39Å; V577-M590 HydrophobicContact CG2-CG 3.84Å; V577-M590 HydrophobicContact CG2-SD 3.6Å; V577-L591 HydrophobicContact CG1-CB 3.96Å; V577-M600 WeakPolarHBondContact CA-O 3.4Å; V577-Y601 HydrophobicContact CG2-CD2 3.78Å; V577-Y601 HydrophobicContact CG2-CG 4.34Å; V577-S668 PolarHBondContact O-N 2.91Å
578V97Very high89.5Confident0 Ų043.8 Ų43.80%024%0.236CC..EExtended strand (participates in β ladder)trans-131.8151-177.4-60.40000110.4V565 V576 S599 M600 I629 I631 F642 A666 F667 L675V565-V578 HydrophobicContact CG1-CG1 4.35Å; V565-V578 HydrophobicContact CG2-CG1 4.35Å; V576-V578 HydrophobicContact CG1-CG1 3.93Å; V578-S599 CarbonylContact O-C 3.45Å; V578-S599 VanDerWaalsContact O-CA 3.3Å; V578-S599 WeakPolarHBondContact O-CA 3.33Å; V578-S599 WeakPolarHBondContact O-CB 3.34Å; V578-M600 PolarHBondContact N-O 2.92Å; V578-M600 VanDerWaalsContact N-O 3.12Å; V578-M600 PolarHBondContact O-N 2.99Å; V578-I629 HydrophobicContact CG2-CB 4.49Å; V578-I629 HydrophobicContact CG2-CD1 4.19Å; V578-I629 HydrophobicContact CG2-CG2 3.76Å; V578-I631 HydrophobicContact CG2-CD1 4.3Å; V578-I631 HydrophobicContact CG2-CG1 4.41Å; V578-F642 HydrophobicContact CG2-CD1 4.5Å; V578-F642 HydrophobicContact CG2-CE1 4.33Å; V578-F642 WeakPolarHBondContact O-CE1 3.23Å; V578-A666 CarbonylContact C-O 3.51Å; V578-A666 WeakPolarHBondContact CA-O 3.37Å; V578-F667 HydrophobicContact CB-CD1 4.42Å; V578-F667 HydrophobicContact CG1-CD1 4.02Å; V578-L675 HydrophobicContact CG1-CD1 4.33Å
579G97.4Very high89.5Confident0 Ų044.3 Ų44.30%024%0.238CC..EExtended strand (participates in β ladder)trans170.6-143.2-179.400000113.2W598 A666G579-W598 CarbonylContact C-O 3.43Å; G579-W598 VanDerWaalsContact CA-O 3.28Å; G579-W598 WeakPolarHBondContact CA-O 3.32Å; G579-A666 PolarHBondContact N-O 2.76Å; G579-A666 PolarHBondContact O-N 2.61Å
580V98.1Very high89.8Confident0 Ų039 Ų390%022%0.219CC..EExtended strand (participates in β ladder)trans-131.9154.1178.2-59.10000110.3W563 W598 L633 L640 L663 Y664W563-V580 HydrophobicContact CH2-CG1 3.59Å; W563-V580 HydrophobicContact CZ2-CG1 3.83Å; V580-W598 HydrophobicContact CG2-CB 4.11Å; V580-W598 HydrophobicContact CG2-CE3 4.3Å; V580-W598 PolarHBondContact N-O 2.9Å; V580-W598 PolarHBondContact O-N 3.38Å; V580-L633 HydrophobicContact CG1-CD1 4.46Å; V580-L633 HydrophobicContact CG1-CD2 4.26Å; V580-L640 HydrophobicContact CG1-CD1 3.97Å; V580-L640 HydrophobicContact CG2-CD1 4.42Å; V580-L640 HydrophobicContact CG2-CD2 3.78Å; V580-L663 HydrophobicContact CB-CB 4.33Å; V580-L663 HydrophobicContact CG2-CD1 4.2Å; V580-Y664 CarbonylContact C-O 3.58Å; V580-Y664 WeakPolarHBondContact CA-O 3.43Å
581A97.7Very high90.3Very high0 Ų038.2 Ų38.20%022%0.215CC..EExtended strand (participates in β ladder)trans-148.3161.6177.700000112.2L551 V585 L591 H596 L663 Y664 A666L551-A581 HydrophobicContact CD2-CB 3.92Å; A581-V585 HydrophobicContact CB-CB 3.76Å; A581-V585 HydrophobicContact CB-CG1 3.82Å; A581-V585 HydrophobicContact CB-CG2 3.95Å; A581-L591 HydrophobicContact CB-CD1 3.88Å; A581-H596 CarbonylContact C-O 3.57Å; A581-H596 WeakPolarHBondContact CA-O 3.28Å; A581-H596 VanDerWaalsContact CB-O 3.31Å; A581-H596 WeakPolarHBondContact CB-O 3.5Å; A581-L663 WeakPolarHBondContact O-CA 3.34Å; A581-Y664 PolarHBondContact N-O 3.21Å; A581-Y664 PolarHBondContact O-N 3.11Å; A581-A666 HydrophobicContact CB-CB 3.79Å
582T96.9Very high90.9Very high13 Ų1335.4 Ų35.48%0.0820%0.201CC..  trans-76.7165.616473.90000109.9H584 V585 H596 W598 V661 L663T582-H584 PolarHBondContact O-N 2.64Å; T582-H584 VanDerWaalsContact O-N 3.11Å; T582-H584 PolarHBondContact OG1-N 2.89Å; T582-V585 WeakPolarHBondContact O-CG1 3.46Å; T582-V585 PolarHBondContact O-N 2.86Å; T582-H596 PolarHBondContact N-O 3.17Å; T582-H596 WeakPolarHBondContact OG1-CB 3.43Å; T582-H596 PolarHBondContact OG1-ND1 3.34Å; T582-W598 HydrophobicContact CG2-CH2 4.27Å; T582-W598 HydrophobicContact CG2-CZ3 4.06Å; T582-V661 HydrophobicContact CG2-CG2 3.88Å; T582-L663 HydrophobicContact CG2-CD2 4.14Å
583E94.4Very high92Very high123 Ų12335.9 Ų35.958%0.57519%0.187SC*.THydrogen-bonded Turntrans-58.2-24.5174.8-168.2-179172.900113V585 Y664E583-V585 VanDerWaalsContact C-N 3.29Å; E583-V585 PolarHBondContact O-N 3.1Å; E583-Y664 HydrophobicContact CB-CE2 3.96Å
584H95.2Very high93.1Very high139 Ų13934.2 Ų34.264%0.64417%0.174SC*.THydrogen-bonded Turntrans-83.12.6-176.4-56.2-44.2000114.6T582 H596T582-H584 PolarHBondContact O-N 2.64Å; T582-H584 VanDerWaalsContact O-N 3.11Å; T582-H584 PolarHBondContact OG1-N 2.89Å; H584-H596 PolarHBondContact O-CD2 2.91Å
585V95Very high94Very high7 Ų738.8 Ų38.84%0.04220%0.197CC..  trans-58.7140.5179.571.40000112.5V549 L551 A581 T582 E583 R587 L591 D594 H596V549-V585 HydrophobicContact CG1-CG1 4.01Å; V549-V585 HydrophobicContact CG1-CG2 4.45Å; L551-V585 HydrophobicContact CD1-CG1 4.2Å; L551-V585 HydrophobicContact CD2-CG1 3.98Å; L551-V585 HydrophobicContact CG-CG1 4.29Å; A581-V585 HydrophobicContact CB-CB 3.76Å; A581-V585 HydrophobicContact CB-CG1 3.82Å; A581-V585 HydrophobicContact CB-CG2 3.95Å; T582-V585 WeakPolarHBondContact O-CG1 3.46Å; T582-V585 PolarHBondContact O-N 2.86Å; E583-V585 VanDerWaalsContact C-N 3.29Å; E583-V585 PolarHBondContact O-N 3.1Å; V585-R587 WeakPolarHBondContact O-CD 3.34Å; V585-R587 PolarHBondContact O-N 3.38Å; V585-R587 VanDerWaalsContact O-N 3.16Å; V585-L591 HydrophobicContact CG2-CD1 4.03Å; V585-D594 WeakPolarHBondContact CG2-OD2 3.35Å; V585-H596 HydrophobicContact CB-CB 4.07Å; V585-H596 HydrophobicContact CG2-CB 4.41Å
586S93.2Very high94.6Very high55 Ų5539.7 Ų39.739%0.38520%0.201SC..  trans-68.8107.9178.7-62.70000110.5N588 T589 D594S586-N588 PolarHBondContact O-N 2.96Å; S586-T589 WeakPolarHBondContact CB-OG1 3.44Å; S586-T589 PolarHBondContact O-N 3.42Å; S586-T589 PolarHBondContact O-OG1 3.48Å; S586-D594 WeakPolarHBondContact CB-OD2 3.09Å; S586-D594 PolarHBondContact N-OD2 3.47Å; S586-D594 PolarHBondContact OG-OD2 3.38Å; S586-D594 VanDerWaalsContact OG-OD2 3.06Å
587R91.2Very high94.9Very high44 Ų4439.7 Ų39.717%0.16620%0.201CC..THydrogen-bonded Turntrans-68.7-18-177-53.4-50.3-175.5107.510.3114.9S526 R548 V549 L551 V585S526-R587 PolarHBondContact OG-NH1 2.91Å; R548-R587 WeakPolarHBondContact CA-O 3.35Å; V549-R587 PolarHBondContact N-O 3.38Å; L551-R587 VanDerWaalsContact CD1-CZ 3.5Å; L551-R587 VanDerWaalsContact CG-CZ 3.48Å; L551-R587 VanDerWaalsContact CG-NH1 3.35Å; V585-R587 WeakPolarHBondContact O-CD 3.34Å; V585-R587 PolarHBondContact O-N 3.38Å; V585-R587 VanDerWaalsContact O-N 3.16Å
588N89.7Confident95Very high106 Ų10640.9 Ų40.957%0.56721%0.205SC*.THydrogen-bonded Turntrans-100.88.3-175.1-63.4-35.2000113.7S586S586-N588 PolarHBondContact O-N 2.96Å
589T88.9Confident95Very high55 Ų5540.9 Ų40.934%0.33721%0.205SC..SBendtrans-133.1150.5178.754.60000109.8V549 S586 L591V549-T589 WeakPolarHBondContact CG2-O 3.33Å; S586-T589 WeakPolarHBondContact CB-OG1 3.44Å; S586-T589 PolarHBondContact O-N 3.42Å; S586-T589 PolarHBondContact O-OG1 3.48Å; T589-L591 PolarHBondContact O-N 3.13Å
590M93.4Very high95Very high23 Ų2340.9 Ų40.911%0.11321%0.205CC..  trans-53136.5174.5-178.616645.700111.8Y547 V577 K593 Y601Y547-M590 HydrophobicContact CD1-CG 4.44Å; Y547-M590 HydrophobicContact CD1-SD 4.45Å; Y547-M590 HydrophobicContact CD2-CB 3.85Å; Y547-M590 HydrophobicContact CD2-CE 4.35Å; Y547-M590 HydrophobicContact CD2-CG 4.15Å; Y547-M590 HydrophobicContact CD2-SD 3.79Å; Y547-M590 HydrophobicContact CE1-SD 4.4Å; Y547-M590 HydrophobicContact CE2-CE 4.31Å; Y547-M590 HydrophobicContact CE2-SD 3.71Å; Y547-M590 HydrophobicContact CG-CB 3.81Å; Y547-M590 HydrophobicContact CG-CG 4.06Å; Y547-M590 HydrophobicContact CG-SD 4.17Å; V577-M590 HydrophobicContact CB-CG 4.36Å; V577-M590 HydrophobicContact CG1-CG 4.39Å; V577-M590 HydrophobicContact CG2-CG 3.84Å; V577-M590 HydrophobicContact CG2-SD 3.6Å; M590-K593 HydrophobicContact CB-CD 4.15Å; M590-K593 HydrophobicContact CB-CG 4.24Å; M590-K593 HydrophobicContact CE-CD 4.42Å; M590-K593 VanDerWaalsContact CE-CE 3.42Å; M590-K593 VanDerWaalsContact O-CB 3.28Å; M590-K593 WeakPolarHBondContact O-CB 3.45Å; M590-K593 WeakPolarHBondContact O-CG 3.4Å; M590-K593 PolarHBondContact O-N 3.49Å; M590-K593 VanDerWaalsContact O-N 3.13Å; M590-Y601 HydrophobicContact SD-CD2 4.04Å; M590-Y601 HydrophobicContact SD-CE2 4.22Å
591L95.6Very high94.8Very high1 Ų141.9 Ų41.91%0.00521%0.209CC..THydrogen-bonded Turntrans-53.4137.1178.6-177.267.5000110.9V549 V577 A581 V585 T589 K593 S599 L610 A666 S668V549-L591 HydrophobicContact CG1-CD1 4.33Å; V549-L591 HydrophobicContact CG2-CB 4.03Å; V577-L591 HydrophobicContact CG1-CB 3.96Å; A581-L591 HydrophobicContact CB-CD1 3.88Å; V585-L591 HydrophobicContact CG2-CD1 4.03Å; T589-L591 PolarHBondContact O-N 3.13Å; L591-K593 VanDerWaalsContact C-N 3.3Å; L591-K593 PolarHBondContact O-N 2.99Å; L591-S599 PolarHBondContact O-OG 3.25Å; L591-L610 WeakPolarHBondContact O-CD2 3.3Å; L591-A666 HydrophobicContact CD1-CB 3.79Å; L591-A666 HydrophobicContact CD2-CB 3.66Å; L591-A666 HydrophobicContact CG-CB 4.39Å; L591-S668 WeakPolarHBondContact CB-OG 3.06Å; L591-S668 PolarHBondContact N-OG 2.91Å
592G94.9Very high94.7Very high0 Ų041.9 Ų41.90%021%0.209CC..THydrogen-bonded Turntrans83.2-2.2-177.400000115G597 H611 S612 E613G592-G597 WeakPolarHBondContact CA-O 3.41Å; G592-H611 CarbonylContact O-C 3.57Å; G592-H611 WeakPolarHBondContact O-CA 3.21Å; G592-S612 PolarHBondContact O-N 2.83Å; G592-E613 PolarHBondContact O-N 3.05Å
593K94.7Very high94.4Very high95 Ų9541.9 Ų41.941%0.41321%0.208SC..SBendtrans-75.8-26167.8-73.9-165.4170-173.90113.4M590 L591 E613M590-K593 HydrophobicContact CB-CD 4.15Å; M590-K593 HydrophobicContact CB-CG 4.24Å; M590-K593 HydrophobicContact CE-CD 4.42Å; M590-K593 VanDerWaalsContact CE-CE 3.42Å; M590-K593 VanDerWaalsContact O-CB 3.28Å; M590-K593 WeakPolarHBondContact O-CB 3.45Å; M590-K593 WeakPolarHBondContact O-CG 3.4Å; M590-K593 PolarHBondContact O-N 3.49Å; M590-K593 VanDerWaalsContact O-N 3.13Å; L591-K593 VanDerWaalsContact C-N 3.3Å; L591-K593 PolarHBondContact O-N 2.99Å; K593-E613 WeakPolarHBondContact O-CG 3.49Å
594D94.1Very high94.3Very high20 Ų2039.7 Ų39.711%0.10720%0.198CC..SBendtrans-99.5179.2171.364.915.2000111.4V585 S586 H596 G597 S612V585-D594 WeakPolarHBondContact CG2-OD2 3.35Å; S586-D594 WeakPolarHBondContact CB-OD2 3.09Å; S586-D594 PolarHBondContact N-OD2 3.47Å; S586-D594 PolarHBondContact OG-OD2 3.38Å; S586-D594 VanDerWaalsContact OG-OD2 3.06Å; D594-H596 PolarHBondContact O-N 3.45Å; D594-H596 PolarHBondContact OD1-N 3.2Å; D594-H596 VanDerWaalsContact OD1-N 3.08Å; D594-G597 PolarHBondContact OD1-N 3.19Å; D594-S612 VanDerWaalsContact O-CA 3.32Å; D594-S612 WeakPolarHBondContact O-CA 3.34Å; D594-S612 PolarHBondContact O-N 3.22Å
595D95.8Very high94.1Very high98 Ų9840.9 Ų40.952%0.52420%0.197SC..THydrogen-bonded Turntrans-83.97.217763-20.8000113.5S612D595-S612 VanDerWaalsContact CA-OG 3.3Å; D595-S612 WeakPolarHBondContact CA-OG 3.28Å
596H97Very high94Very high55 Ų5544.1 Ų44.126%0.25521%0.208SC..THydrogen-bonded Turntrans-110.9-6.1-177.6-70-34.7000113.6A581 T582 H584 V585 D594 W598A581-H596 CarbonylContact C-O 3.57Å; A581-H596 WeakPolarHBondContact CA-O 3.28Å; A581-H596 VanDerWaalsContact CB-O 3.31Å; A581-H596 WeakPolarHBondContact CB-O 3.5Å; T582-H596 PolarHBondContact N-O 3.17Å; T582-H596 WeakPolarHBondContact OG1-CB 3.43Å; T582-H596 PolarHBondContact OG1-ND1 3.34Å; H584-H596 PolarHBondContact O-CD2 2.91Å; V585-H596 HydrophobicContact CB-CB 4.07Å; V585-H596 HydrophobicContact CG2-CB 4.41Å; D594-H596 PolarHBondContact O-N 3.45Å; D594-H596 PolarHBondContact OD1-N 3.2Å; D594-H596 VanDerWaalsContact OD1-N 3.08Å; H596-W598 VanDerWaalsContact O-CZ3 3.3Å; H596-W598 WeakPolarHBondContact O-CZ3 3.4Å
597G97.1Very high94.1Very high0 Ų041.6 Ų41.60%019%0.191CC..EExtended strand (participates in β ladder)trans-118.3141.1175.600000114.5G592 D594 H611G592-G597 WeakPolarHBondContact CA-O 3.41Å; D594-G597 PolarHBondContact OD1-N 3.19Å; G597-H611 PolarHBondContact O-ND1 3.42Å
598W98Very high94.3Very high25 Ų2541 Ų4110%0.09519%0.188CC..EExtended strand (participates in β ladder)trans-124121.1170.4-63.4-94.2000108.6G579 V580 T582 H596 H611 L640 F655 L658 P659 L663G579-W598 CarbonylContact C-O 3.43Å; G579-W598 VanDerWaalsContact CA-O 3.28Å; G579-W598 WeakPolarHBondContact CA-O 3.32Å; V580-W598 HydrophobicContact CG2-CB 4.11Å; V580-W598 HydrophobicContact CG2-CE3 4.3Å; V580-W598 PolarHBondContact N-O 2.9Å; V580-W598 PolarHBondContact O-N 3.38Å; T582-W598 HydrophobicContact CG2-CH2 4.27Å; T582-W598 HydrophobicContact CG2-CZ3 4.06Å; H596-W598 VanDerWaalsContact O-CZ3 3.3Å; H596-W598 WeakPolarHBondContact O-CZ3 3.4Å; W598-H611 AromaticContact CD1-CG 3.59Å; W598-H611 AromaticContact CD1-ND1 3.53Å; W598-H611 AromaticContact CD2-ND1 3.94Å; W598-H611 AromaticContact CE2-CE1 3.4Å; W598-H611 VanDerWaalsContact CE2-CE1 3.4Å; W598-H611 AromaticContact CE2-ND1 3.5Å; W598-H611 AromaticContact CG-ND1 3.94Å; W598-H611 AromaticContact CZ2-CE1 3.48Å; W598-H611 VanDerWaalsContact CZ2-CE1 3.48Å; W598-H611 WeakPolarHBondContact CZ2-CE1 3.44Å; W598-H611 AromaticContact NE1-CD2 3.77Å; W598-H611 AromaticContact NE1-CE1 3.31Å; W598-H611 PolarHBondContact NE1-CE1 3.44Å; W598-H611 VanDerWaalsContact NE1-CE1 3.31Å; W598-H611 AromaticContact NE1-CG 3.54Å; W598-H611 AromaticContact NE1-ND1 3.26Å; W598-H611 PolarHBondContact NE1-ND1 2.88Å; W598-H611 AromaticContact NE1-NE2 3.63Å; W598-L640 HydrophobicContact CB-CD2 4.07Å; W598-F655 HydrophobicContact CB-CD1 4.49Å; W598-F655 HydrophobicContact CB-CD2 4.04Å; W598-F655 HydrophobicContact CB-CE1 4.45Å; W598-F655 HydrophobicContact CB-CE2 3.98Å; W598-F655 HydrophobicContact CB-CG 4.26Å; W598-F655 HydrophobicContact CB-CZ 4.18Å; W598-F655 AromaticContact CD1-CD1 3.59Å; W598-F655 AromaticContact CD1-CE1 3.92Å; W598-F655 AromaticContact CD1-CG 3.9Å; W598-F655 HydrophobicContact CG-CD1 4.43Å; W598-F655 HydrophobicContact CG-CG 4.43Å; W598-L658 HydrophobicContact CB-CD2 4.22Å; W598-L658 HydrophobicContact CD2-CD2 3.7Å; W598-L658 HydrophobicContact CE3-CD2 4.41Å; W598-L658 HydrophobicContact CG-CD2 3.56Å; W598-P659 HydrophobicContact CH2-CG 3.45Å; W598-P659 VanDerWaalsContact CH2-CG 3.45Å; W598-P659 HydrophobicContact CZ2-CG 3.9Å; W598-P659 HydrophobicContact CZ3-CG 4Å; W598-L663 HydrophobicContact CE3-CD2 4.17Å; W598-L663 HydrophobicContact CZ3-CD2 3.8Å
599S97.4Very high94.7Very high0 Ų036.1 Ų36.10%016%0.162CC..EExtended strand (participates in β ladder)trans-144.9161.5-166.760.80000114.6V578 L591 Y609 L610 F655V578-S599 CarbonylContact O-C 3.45Å; V578-S599 VanDerWaalsContact O-CA 3.3Å; V578-S599 WeakPolarHBondContact O-CA 3.33Å; V578-S599 WeakPolarHBondContact O-CB 3.34Å; L591-S599 PolarHBondContact O-OG 3.25Å; S599-Y609 CarbonylContact O-C 3.54Å; S599-Y609 WeakPolarHBondContact O-CA 3.02Å; S599-L610 PolarHBondContact N-O 3.09Å; S599-L610 PolarHBondContact O-N 3.14Å; S599-L610 PolarHBondContact OG-O 3.24Å; S599-F655 WeakPolarHBondContact O-CE2 3.48Å; S599-F655 WeakPolarHBondContact O-CZ 3.3Å
600M96.3Very high95Very high0 Ų034.1 Ų34.10%015%0.15CC..EExtended strand (participates in β ladder)trans-104.3126.4160.2-176.917467.900108.4V577 V578 I602 W608 Y609 I629 F642 V644 Q649V577-M600 WeakPolarHBondContact CA-O 3.4Å; V578-M600 PolarHBondContact N-O 2.92Å; V578-M600 VanDerWaalsContact N-O 3.12Å; V578-M600 PolarHBondContact O-N 2.99Å; M600-I602 HydrophobicContact CE-CD1 4.27Å; M600-I602 HydrophobicContact CE-CG2 4.37Å; M600-W608 WeakPolarHBondContact CA-O 3.44Å; M600-Y609 HydrophobicContact CB-CD1 4.07Å; M600-Y609 HydrophobicContact CB-CE1 4.32Å; M600-Y609 HydrophobicContact CG-CD1 4.14Å; M600-Y609 HydrophobicContact CG-CE1 4.14Å; M600-Y609 HydrophobicContact SD-CE1 4.12Å; M600-I629 HydrophobicContact CE-CG2 3.44Å; M600-I629 VanDerWaalsContact CE-CG2 3.44Å; M600-F642 HydrophobicContact CB-CD1 3.81Å; M600-F642 HydrophobicContact CB-CD2 3.95Å; M600-F642 HydrophobicContact CB-CE1 3.84Å; M600-F642 HydrophobicContact CB-CE2 3.98Å; M600-F642 HydrophobicContact CB-CG 3.87Å; M600-F642 HydrophobicContact CB-CZ 3.92Å; M600-F642 HydrophobicContact CE-CB 3.93Å; M600-F642 HydrophobicContact CE-CD1 4.1Å; M600-F642 HydrophobicContact CE-CG 4.2Å; M600-F642 HydrophobicContact SD-CB 3.69Å; M600-F642 HydrophobicContact SD-CD1 4.42Å; M600-F642 HydrophobicContact SD-CG 3.99Å; M600-V644 HydrophobicContact CE-CG2 4.11Å; M600-Q649 HydrophobicContact SD-CG 4.16Å
601Y94.7Very high95.1Very high20 Ų2035.3 Ų35.38%0.07816%0.155CC..EExtended strand (participates in β ladder)trans-91135.1164176.5-70.4000108D575 V577 M590 D603 S607 W608D575-Y601 HydrophobicContact CB-CD2 4Å; D575-Y601 HydrophobicContact CB-CE1 3.97Å; D575-Y601 HydrophobicContact CB-CE2 3.33Å; D575-Y601 VanDerWaalsContact CG-CE2 3.4Å; D575-Y601 PolarHBondContact OD1-OH 2.87Å; D575-Y601 PolarHBondContact OD2-OH 3.46Å; D575-Y601 VanDerWaalsContact OD2-OH 3.09Å; V577-Y601 HydrophobicContact CG2-CD2 3.78Å; V577-Y601 HydrophobicContact CG2-CG 4.34Å; M590-Y601 HydrophobicContact SD-CD2 4.04Å; M590-Y601 HydrophobicContact SD-CE2 4.22Å; Y601-D603 HydrophobicContact CE1-CB 4.04Å; Y601-S607 CarbonylContact O-C 3.56Å; Y601-S607 WeakPolarHBondContact O-CA 3.37Å; Y601-S607 WeakPolarHBondContact O-CB 3.38Å; Y601-W608 AromaticContact CD1-CD2 3.83Å; Y601-W608 HydrophobicContact CD1-CD2 3.83Å; Y601-W608 AromaticContact CD1-CE2 3.47Å; Y601-W608 VanDerWaalsContact CD1-CE2 3.47Å; Y601-W608 AromaticContact CD1-CE3 3.83Å; Y601-W608 HydrophobicContact CD1-CE3 3.83Å; Y601-W608 AromaticContact CD1-CH2 3.27Å; Y601-W608 HydrophobicContact CD1-CH2 3.27Å; Y601-W608 AromaticContact CD1-CZ2 3.22Å; Y601-W608 HydrophobicContact CD1-CZ2 3.22Å; Y601-W608 AromaticContact CD1-CZ3 3.53Å; Y601-W608 HydrophobicContact CD1-CZ3 3.53Å; Y601-W608 HydrophobicContact CD2-CH2 4.44Å; Y601-W608 AromaticContact CD2-CZ2 3.77Å; Y601-W608 HydrophobicContact CD2-CZ2 3.77Å; Y601-W608 HydrophobicContact CE1-CD2 4.5Å; Y601-W608 HydrophobicContact CE1-CE3 4.21Å; Y601-W608 AromaticContact CE1-CH2 2.93Å; Y601-W608 HydrophobicContact CE1-CH2 2.93Å; Y601-W608 AromaticContact CE1-CZ2 3.28Å; Y601-W608 HydrophobicContact CE1-CZ2 3.28Å; Y601-W608 AromaticContact CE1-CZ3 3.43Å; Y601-W608 HydrophobicContact CE1-CZ3 3.43Å; Y601-W608 VanDerWaalsContact CE1-CZ3 3.43Å; Y601-W608 HydrophobicContact CE2-CH2 4.13Å; Y601-W608 AromaticContact CE2-CZ2 3.73Å; Y601-W608 HydrophobicContact CE2-CZ2 3.73Å; Y601-W608 HydrophobicContact CG-CD2 4.21Å; Y601-W608 AromaticContact CG-CE2 3.54Å; Y601-W608 HydrophobicContact CG-CH2 4.03Å; Y601-W608 AromaticContact CG-CZ2 3.47Å; Y601-W608 HydrophobicContact CG-CZ2 3.47Å; Y601-W608 VanDerWaalsContact CG-CZ2 3.47Å; Y601-W608 AromaticContact CG-NE1 3.81Å; Y601-W608 AromaticContact CZ-CH2 3.35Å; Y601-W608 AromaticContact CZ-CZ2 3.45Å; Y601-W608 VanDerWaalsContact CZ-CZ2 3.45Å; Y601-W608 PolarHBondContact N-O 3.44Å; Y601-W608 PolarHBondContact O-N 3.46Å
602I94.3Very high95.1Very high0 Ų037.4 Ų37.40%017%0.17CC..EExtended strand (participates in β ladder)trans-145.9128.4176.8-168.9157.2000111.2V576 M600 I623 I629 V644V576-I602 HydrophobicContact CB-CG2 4.03Å; V576-I602 HydrophobicContact CG1-CG2 4.4Å; V576-I602 PolarHBondContact N-O 3.5Å; V576-I602 PolarHBondContact O-N 3.44Å; M600-I602 HydrophobicContact CE-CD1 4.27Å; M600-I602 HydrophobicContact CE-CG2 4.37Å; I602-I623 HydrophobicContact CD1-CB 4.5Å; I602-I623 HydrophobicContact CD1-CG2 3.45Å; I602-I623 VanDerWaalsContact CD1-CG2 3.45Å; I602-I623 HydrophobicContact CG1-CB 4.38Å; I602-I623 HydrophobicContact CG1-CD1 4.48Å; I602-I623 HydrophobicContact CG1-CG1 4.03Å; I602-I623 HydrophobicContact CG1-CG2 3.79Å; I602-I623 HydrophobicContact CG2-CD1 3.73Å; I602-I623 HydrophobicContact CG2-CG1 4.22Å; I602-I623 HydrophobicContact CG2-CG2 4.34Å; I602-I629 HydrophobicContact CG2-CD1 3.84Å; I602-V644 HydrophobicContact CD1-CG2 3.87Å
603D91.9Very high95Very high13 Ų1342.6 Ų42.67%0.0719%0.194CC..  trans-113.3-167.4175.269.431000110.4Y601 R605 R606 G622 I623Y601-D603 HydrophobicContact CE1-CB 4.04Å; D603-R605 PolarHBondContact O-N 3.09Å; D603-R605 WeakPolarHBondContact OD1-CA 3.41Å; D603-R605 PolarHBondContact OD1-N 3.37Å; D603-R606 VanDerWaalsContact CG-CG 3.49Å; D603-R606 PolarHBondContact N-O 2.96Å; D603-R606 WeakPolarHBondContact OD1-CG 3.42Å; D603-R606 PolarHBondContact OD1-N 3.48Å; D603-R606 WeakPolarHBondContact OD2-CG 3.31Å; D603-R606 IonicContact OD2-CZ 3.7Å; D603-R606 IonicContact OD2-NE 2.85Å; D603-R606 PolarHBondContact OD2-NE 2.82Å; D603-R606 IonicContact OD2-NH2 3.68Å; D603-G622 CarbonylContact O-C 3.57Å; D603-G622 WeakPolarHBondContact O-CA 3.38Å; D603-I623 PolarHBondContact O-N 2.91Å
604E91.6Very high95Very high78 Ų7842 Ų4236%0.36420%0.198SC..SBendtrans-64.9-21-179.577.9-177.3-164.800114.3S573 I623S573-E604 WeakPolarHBondContact CB-OE2 3.36Å; S573-E604 PolarHBondContact OG-OE1 2.87Å; S573-E604 PolarHBondContact OG-OE2 2.95Å; E604-I623 WeakPolarHBondContact CA-O 3.34Å
605R91.6Very high95Very high164 Ų16446.7 Ų46.762%0.61922%0.219SC*.SBendtrans-117.6-34.3-172.2-50.5-167.4-175.9-173.1-2.5113.5D603 E620 K621 G622D603-R605 PolarHBondContact O-N 3.09Å; D603-R605 WeakPolarHBondContact OD1-CA 3.41Å; D603-R605 PolarHBondContact OD1-N 3.37Å; R605-E620 CarbonylContact O-C 3.56Å; R605-E620 WeakPolarHBondContact O-CA 3.31Å; R605-K621 CarbonylContact O-C 3.09Å; R605-K621 PolarHBondContact O-N 2.83Å; R605-G622 PolarHBondContact O-N 2.89Å
606R93.6Very high94.9Very high74 Ų7445.4 Ų45.428%0.27921%0.21SC..  trans-147157.3-162.453176.8-174.917811.1112.2D603 W608 R618 V619 K621D603-R606 VanDerWaalsContact CG-CG 3.49Å; D603-R606 PolarHBondContact N-O 2.96Å; D603-R606 WeakPolarHBondContact OD1-CG 3.42Å; D603-R606 PolarHBondContact OD1-N 3.48Å; D603-R606 WeakPolarHBondContact OD2-CG 3.31Å; D603-R606 IonicContact OD2-CZ 3.7Å; D603-R606 IonicContact OD2-NE 2.85Å; D603-R606 PolarHBondContact OD2-NE 2.82Å; D603-R606 IonicContact OD2-NH2 3.68Å; R606-W608 HydrophobicContact CG-CE3 4.46Å; R606-W608 HydrophobicContact CG-CZ3 3.89Å; R606-R618 VanDerWaalsContact CD-CZ 3.42Å; R606-R618 VanDerWaalsContact NH1-NH1 3.13Å; R606-V619 CarbonylContact C-O 3.44Å; R606-V619 WeakPolarHBondContact CA-O 3.5Å; R606-V619 WeakPolarHBondContact CB-O 3.44Å; R606-K621 CarbonylContact C-O 3.52Å
607S94.9Very high94.8Very high2 Ų244.5 Ų44.51%0.01421%0.21CC..EExtended strand (participates in β ladder)trans-136.3154.9173.844.80000111.6Y601 R618 V619 K621Y601-S607 CarbonylContact O-C 3.56Å; Y601-S607 WeakPolarHBondContact O-CA 3.37Å; Y601-S607 WeakPolarHBondContact O-CB 3.38Å; S607-R618 CarbonylContact O-C 3.58Å; S607-R618 VanDerWaalsContact O-CA 3.28Å; S607-R618 WeakPolarHBondContact O-CA 3.3Å; S607-V619 PolarHBondContact N-O 2.72Å; S607-V619 PolarHBondContact O-N 2.67Å; S607-V619 WeakPolarHBondContact OG-CG2 3.21Å; S607-K621 PolarHBondContact N-O 3.32Å; S607-K621 PolarHBondContact OG-O 2.57Å
608W95.5Very high94.6Very high31 Ų3150.2 Ų50.212%0.11723%0.231CC..EExtended strand (participates in β ladder)trans-155163.41716084.4000110.7M600 Y601 R606 H615 R618M600-W608 WeakPolarHBondContact CA-O 3.44Å; Y601-W608 AromaticContact CD1-CD2 3.83Å; Y601-W608 HydrophobicContact CD1-CD2 3.83Å; Y601-W608 AromaticContact CD1-CE2 3.47Å; Y601-W608 VanDerWaalsContact CD1-CE2 3.47Å; Y601-W608 AromaticContact CD1-CE3 3.83Å; Y601-W608 HydrophobicContact CD1-CE3 3.83Å; Y601-W608 AromaticContact CD1-CH2 3.27Å; Y601-W608 HydrophobicContact CD1-CH2 3.27Å; Y601-W608 AromaticContact CD1-CZ2 3.22Å; Y601-W608 HydrophobicContact CD1-CZ2 3.22Å; Y601-W608 AromaticContact CD1-CZ3 3.53Å; Y601-W608 HydrophobicContact CD1-CZ3 3.53Å; Y601-W608 HydrophobicContact CD2-CH2 4.44Å; Y601-W608 AromaticContact CD2-CZ2 3.77Å; Y601-W608 HydrophobicContact CD2-CZ2 3.77Å; Y601-W608 HydrophobicContact CE1-CD2 4.5Å; Y601-W608 HydrophobicContact CE1-CE3 4.21Å; Y601-W608 AromaticContact CE1-CH2 2.93Å; Y601-W608 HydrophobicContact CE1-CH2 2.93Å; Y601-W608 AromaticContact CE1-CZ2 3.28Å; Y601-W608 HydrophobicContact CE1-CZ2 3.28Å; Y601-W608 AromaticContact CE1-CZ3 3.43Å; Y601-W608 HydrophobicContact CE1-CZ3 3.43Å; Y601-W608 VanDerWaalsContact CE1-CZ3 3.43Å; Y601-W608 HydrophobicContact CE2-CH2 4.13Å; Y601-W608 AromaticContact CE2-CZ2 3.73Å; Y601-W608 HydrophobicContact CE2-CZ2 3.73Å; Y601-W608 HydrophobicContact CG-CD2 4.21Å; Y601-W608 AromaticContact CG-CE2 3.54Å; Y601-W608 HydrophobicContact CG-CH2 4.03Å; Y601-W608 AromaticContact CG-CZ2 3.47Å; Y601-W608 HydrophobicContact CG-CZ2 3.47Å; Y601-W608 VanDerWaalsContact CG-CZ2 3.47Å; Y601-W608 AromaticContact CG-NE1 3.81Å; Y601-W608 AromaticContact CZ-CH2 3.35Å; Y601-W608 AromaticContact CZ-CZ2 3.45Å; Y601-W608 VanDerWaalsContact CZ-CZ2 3.45Å; Y601-W608 PolarHBondContact N-O 3.44Å; Y601-W608 PolarHBondContact O-N 3.46Å; R606-W608 HydrophobicContact CG-CE3 4.46Å; R606-W608 HydrophobicContact CG-CZ3 3.89Å; W608-H615 HydrophobicContact CG-CB 4.23Å; W608-R618 HydrophobicContact CB-CB 4.07Å; W608-R618 HydrophobicContact CB-CG 4.47Å; W608-R618 HydrophobicContact CE3-CG 4.37Å
609Y96.6Very high94.4Very high5 Ų550.7 Ų50.72%0.0224%0.237CC..EExtended strand (participates in β ladder)trans-92.8142.8174.8-53.2-49.5000110.3S599 M600 H615 H616 F642 T650 A654S599-Y609 CarbonylContact O-C 3.54Å; S599-Y609 WeakPolarHBondContact O-CA 3.02Å; M600-Y609 HydrophobicContact CB-CD1 4.07Å; M600-Y609 HydrophobicContact CB-CE1 4.32Å; M600-Y609 HydrophobicContact CG-CD1 4.14Å; M600-Y609 HydrophobicContact CG-CE1 4.14Å; M600-Y609 HydrophobicContact SD-CE1 4.12Å; Y609-H615 WeakPolarHBondContact O-CA 3.48Å; Y609-H616 AromaticContact CD2-CE1 3.58Å; Y609-H616 AromaticContact CD2-ND1 3.87Å; Y609-H616 PolarHBondContact N-O 3.3Å; Y609-H616 PolarHBondContact O-N 2.65Å; Y609-F642 AromaticContact CD1-CD2 3.93Å; Y609-F642 HydrophobicContact CD1-CD2 3.93Å; Y609-F642 HydrophobicContact CD1-CE2 4.11Å; Y609-F642 HydrophobicContact CE1-CB 4.46Å; Y609-F642 AromaticContact CE1-CD2 3.57Å; Y609-F642 HydrophobicContact CE1-CD2 3.57Å; Y609-F642 HydrophobicContact CE1-CE2 4.21Å; Y609-F642 HydrophobicContact CE1-CG 4.34Å; Y609-T650 HydrophobicContact CE2-CG2 4.13Å; Y609-T650 PolarHBondContact OH-OG1 3.11Å; Y609-A654 HydrophobicContact CD1-CB 3.6Å; Y609-A654 HydrophobicContact CD2-CB 3.79Å; Y609-A654 HydrophobicContact CE1-CB 3.49Å; Y609-A654 VanDerWaalsContact CE1-CB 3.49Å; Y609-A654 HydrophobicContact CE2-CB 3.67Å; Y609-A654 HydrophobicContact CG-CB 3.77Å
610L96.1Very high94.2Very high13 Ų1356.7 Ų56.77%0.06827%0.265CS..EExtended strand (participates in β ladder)trans-137.1128.1-173.1179.367.5000111.7L591 S599 T614 H615L591-L610 WeakPolarHBondContact O-CD2 3.3Å; S599-L610 PolarHBondContact N-O 3.09Å; S599-L610 PolarHBondContact O-N 3.14Å; S599-L610 PolarHBondContact OG-O 3.24Å; L610-T614 WeakPolarHBondContact CA-O 3.41Å; L610-H615 HydrophobicContact CD1-CB 4.38Å
611H96.4Very high94Very high48 Ų4861.7 Ų61.722%0.22229%0.286CS..EExtended strand (participates in β ladder)trans-156.5138.8173.9169.266.7000110.1G592 G597 W598 E613 T614 F655G592-H611 CarbonylContact O-C 3.57Å; G592-H611 WeakPolarHBondContact O-CA 3.21Å; G597-H611 PolarHBondContact O-ND1 3.42Å; W598-H611 AromaticContact CD1-CG 3.59Å; W598-H611 AromaticContact CD1-ND1 3.53Å; W598-H611 AromaticContact CD2-ND1 3.94Å; W598-H611 AromaticContact CE2-CE1 3.4Å; W598-H611 VanDerWaalsContact CE2-CE1 3.4Å; W598-H611 AromaticContact CE2-ND1 3.5Å; W598-H611 AromaticContact CG-ND1 3.94Å; W598-H611 AromaticContact CZ2-CE1 3.48Å; W598-H611 VanDerWaalsContact CZ2-CE1 3.48Å; W598-H611 WeakPolarHBondContact CZ2-CE1 3.44Å; W598-H611 AromaticContact NE1-CD2 3.77Å; W598-H611 AromaticContact NE1-CE1 3.31Å; W598-H611 PolarHBondContact NE1-CE1 3.44Å; W598-H611 VanDerWaalsContact NE1-CE1 3.31Å; W598-H611 AromaticContact NE1-CG 3.54Å; W598-H611 AromaticContact NE1-ND1 3.26Å; W598-H611 PolarHBondContact NE1-ND1 2.88Å; W598-H611 AromaticContact NE1-NE2 3.63Å; H611-E613 VanDerWaalsContact C-N 3.31Å; H611-E613 PolarHBondContact O-N 3.03Å; H611-T614 PolarHBondContact N-O 2.77Å; H611-T614 VanDerWaalsContact N-O 3.09Å; H611-T614 WeakPolarHBondContact O-CA 3.46Å; H611-T614 WeakPolarHBondContact O-CB 3.42Å; H611-T614 PolarHBondContact O-N 2.89Å; H611-F655 HydrophobicContact CB-CE1 3.68Å; H611-F655 HydrophobicContact CB-CZ 4.23Å
612S95.4Very high93.8Very high45 Ų4561.9 Ų61.932%0.31530%0.295SS..THydrogen-bonded Turntrans49.447.2179.7-60.50000113.7G592 D594 D595 T614G592-S612 PolarHBondContact O-N 2.83Å; D594-S612 VanDerWaalsContact O-CA 3.32Å; D594-S612 WeakPolarHBondContact O-CA 3.34Å; D594-S612 PolarHBondContact O-N 3.22Å; D595-S612 VanDerWaalsContact CA-OG 3.3Å; D595-S612 WeakPolarHBondContact CA-OG 3.28Å; S612-T614 PolarHBondContact O-N 2.8Å; S612-T614 PolarHBondContact O-OG1 3.02Å
613E92.6Very high93.8Very high108 Ų10862.5 Ų62.551%0.50530%0.298SS..THydrogen-bonded Turntrans59.73.4-174.4-52.4-163.9149.900115.6S115 G592 K593 H611S115-E613 VanDerWaalsContact CB-OE2 3.32Å; S115-E613 WeakPolarHBondContact CB-OE2 3.25Å; S115-E613 PolarHBondContact OG-OE2 3.34Å; G592-E613 PolarHBondContact O-N 3.05Å; K593-E613 WeakPolarHBondContact O-CG 3.49Å; H611-E613 VanDerWaalsContact C-N 3.31Å; H611-E613 PolarHBondContact O-N 3.03Å
614T95.1Very high93.7Very high82 Ų8262.8 Ų62.850%0.50330%0.304SS..EExtended strand (participates in β ladder)trans-101.6128.7-176.6-55.80000109.9L610 H611 S612L610-T614 WeakPolarHBondContact CA-O 3.41Å; H611-T614 PolarHBondContact N-O 2.77Å; H611-T614 VanDerWaalsContact N-O 3.09Å; H611-T614 WeakPolarHBondContact O-CA 3.46Å; H611-T614 WeakPolarHBondContact O-CB 3.42Å; H611-T614 PolarHBondContact O-N 2.89Å; S612-T614 PolarHBondContact O-N 2.8Å; S612-T614 PolarHBondContact O-OG1 3.02Å
615H93.2Very high93.7Very high120 Ų12063.5 Ų63.556%0.55632%0.316SS*.EExtended strand (participates in β ladder)trans-110.9147.5177.265.7-87000112.2W608 Y609 L610W608-H615 HydrophobicContact CG-CB 4.23Å; Y609-H615 WeakPolarHBondContact O-CA 3.48Å; L610-H615 HydrophobicContact CD1-CB 4.38Å
616H94.5Very high93.8Very high70 Ų7058 Ų5832%0.32431%0.31SS..EExtended strand (participates in β ladder)trans-151.1172.9175.46788000112.4Y609 R618 A654 F655Y609-H616 AromaticContact CD2-CE1 3.58Å; Y609-H616 AromaticContact CD2-ND1 3.87Å; Y609-H616 PolarHBondContact N-O 3.3Å; Y609-H616 PolarHBondContact O-N 2.65Å; H616-R618 VanDerWaalsContact C-N 3.34Å; H616-R618 PolarHBondContact O-N 2.96Å; H616-A654 PolarHBondContact CE1-O 3.48Å; H616-F655 AromaticContact NE2-CE1 3.77Å
617S93.2Very high93.8Very high36 Ų3655.1 Ų55.125%0.25230%0.301SS..EExtended strand (participates in β ladder)trans53.344.7175.6-49.30000114.3
618R94.1Very high93.9Very high120 Ų12056.8 Ų56.845%0.45331%0.311SS..EExtended strand (participates in β ladder)trans-67.3132.6178.5-179.8169.9165.2-177.9-11.7111.7R606 S607 W608 H616 E620R606-R618 VanDerWaalsContact CD-CZ 3.42Å; R606-R618 VanDerWaalsContact NH1-NH1 3.13Å; S607-R618 CarbonylContact O-C 3.58Å; S607-R618 VanDerWaalsContact O-CA 3.28Å; S607-R618 WeakPolarHBondContact O-CA 3.3Å; W608-R618 HydrophobicContact CB-CB 4.07Å; W608-R618 HydrophobicContact CB-CG 4.47Å; W608-R618 HydrophobicContact CE3-CG 4.37Å; H616-R618 VanDerWaalsContact C-N 3.34Å; H616-R618 PolarHBondContact O-N 2.96Å; R618-E620 IonicContact CZ-OE1 3.85Å; R618-E620 IonicContact NE-OE1 3.54Å; R618-E620 IonicContact NH2-OE1 3.23Å; R618-E620 PolarHBondContact NH2-OE1 3.38Å
619V93.5Very high94Very high35 Ų3555.3 Ų55.321%0.21231%0.306CS..EExtended strand (participates in β ladder)trans-132.3146.8176.3-64.60000110.9R606 S607 K621 Q649 T650R606-V619 CarbonylContact C-O 3.44Å; R606-V619 WeakPolarHBondContact CA-O 3.5Å; R606-V619 WeakPolarHBondContact CB-O 3.44Å; S607-V619 PolarHBondContact N-O 2.72Å; S607-V619 PolarHBondContact O-N 2.67Å; S607-V619 WeakPolarHBondContact OG-CG2 3.21Å; V619-K621 HydrophobicContact CG2-CB 4.17Å; V619-K621 HydrophobicContact CG2-CD 4.49Å; V619-K621 PolarHBondContact O-N 2.87Å; V619-Q649 HydrophobicContact CG2-CB 4.19Å; V619-T650 HydrophobicContact CG1-CG2 3.81Å
620E93.3Very high94Very high127 Ų12755.1 Ų55.159%0.59331%0.305SS*.SBendtrans-84.561.7176.5-61.5-64.2145.800110R605 R618R605-E620 CarbonylContact O-C 3.56Å; R605-E620 WeakPolarHBondContact O-CA 3.31Å; R618-E620 IonicContact CZ-OE1 3.85Å; R618-E620 IonicContact NE-OE1 3.54Å; R618-E620 IonicContact NH2-OE1 3.23Å; R618-E620 PolarHBondContact NH2-OE1 3.38Å
621K91.9Very high94Very high104 Ų10454.5 Ų54.545%0.45230%0.302SS..  trans-137.4111174.7-69.1176.1-178.61730108.6R605 R606 S607 V619 Q649R605-K621 CarbonylContact O-C 3.09Å; R605-K621 PolarHBondContact O-N 2.83Å; R606-K621 CarbonylContact C-O 3.52Å; S607-K621 PolarHBondContact N-O 3.32Å; S607-K621 PolarHBondContact OG-O 2.57Å; V619-K621 HydrophobicContact CG2-CB 4.17Å; V619-K621 HydrophobicContact CG2-CD 4.49Å; V619-K621 PolarHBondContact O-N 2.87Å; K621-Q649 PolarHBondContact NZ-O 3.5Å
622G91.1Very high94Very high25 Ų2554.5 Ų54.526%0.25830%0.304SS..  trans-106-163-178.600000114D603 R605D603-G622 CarbonylContact O-C 3.57Å; D603-G622 WeakPolarHBondContact O-CA 3.38Å; R605-G622 PolarHBondContact O-N 2.89Å
623I93.3Very high94Very high12 Ų1252.4 Ų52.46%0.06229%0.289CS..  trans-128.5166.9177.355.1170.1000111.5V567 V576 I602 D603 E604 V644V567-I623 HydrophobicContact CG1-CD1 4.21Å; V567-I623 HydrophobicContact CG2-CD1 3.86Å; V576-I623 HydrophobicContact CB-CD1 3.75Å; V576-I623 HydrophobicContact CG1-CD1 4.48Å; V576-I623 HydrophobicContact CG2-CD1 3.58Å; I602-I623 HydrophobicContact CD1-CB 4.5Å; I602-I623 HydrophobicContact CD1-CG2 3.45Å; I602-I623 VanDerWaalsContact CD1-CG2 3.45Å; I602-I623 HydrophobicContact CG1-CB 4.38Å; I602-I623 HydrophobicContact CG1-CD1 4.48Å; I602-I623 HydrophobicContact CG1-CG1 4.03Å; I602-I623 HydrophobicContact CG1-CG2 3.79Å; I602-I623 HydrophobicContact CG2-CD1 3.73Å; I602-I623 HydrophobicContact CG2-CG1 4.22Å; I602-I623 HydrophobicContact CG2-CG2 4.34Å; D603-I623 PolarHBondContact O-N 2.91Å; E604-I623 WeakPolarHBondContact CA-O 3.34Å; I623-V644 HydrophobicContact CG2-CG1 3.86Å
624G91.1Very high94.1Very high20 Ų2047.7 Ų47.721%0.20627%0.267CS..  trans-143.8-178.6163.300000111.3G626 S627G624-G626 PolarHBondContact O-N 2.92Å; G624-S627 PolarHBondContact N-OG 2.85Å; G624-S627 VanDerWaalsContact O-CB 3.25Å; G624-S627 WeakPolarHBondContact O-CB 3.3Å; G624-S627 PolarHBondContact O-N 2.96Å; G624-S627 PolarHBondContact O-OG 2.74Å
625P90.9Very high94.1Very high93 Ų9344.3 Ų44.360%0.60425%0.246SC*.THydrogen-bonded Turntrans-51.9131.4175.3-24.333000111.7H570H570-P625 HydrophobicContact CB-CG 4.05Å
626G93.1Very high94Very high49 Ų4943.1 Ų43.151%0.50524%0.244SC..THydrogen-bonded Turntrans86.3-1.2-177.200000115.3V567 G624V567-G626 PolarHBondContact O-N 2.85Å; G624-G626 PolarHBondContact O-N 2.92Å
627S95.2Very high94Very high13 Ų1342.1 Ų42.19%0.09125%0.248CC..  trans-68.5142.4172.8-57.30000110.9V567 G624 N645V567-S627 WeakPolarHBondContact CG2-O 3.14Å; V567-S627 PolarHBondContact N-O 2.88Å; G624-S627 PolarHBondContact N-OG 2.85Å; G624-S627 VanDerWaalsContact O-CB 3.25Å; G624-S627 WeakPolarHBondContact O-CB 3.3Å; G624-S627 PolarHBondContact O-N 2.96Å; G624-S627 PolarHBondContact O-OG 2.74Å; S627-N645 WeakPolarHBondContact CA-OD1 3.4Å
628V96.6Very high94.2Very high37 Ų3741.8 Ų41.822%0.22424%0.243CC..EExtended strand (participates in β ladder)trans-110.5122.6177.1-1790000109.1E564 L566 V644 N645E564-V628 HydrophobicContact CB-CG1 3.75Å; E564-V628 HydrophobicContact CG-CG1 4.02Å; E564-V628 WeakPolarHBondContact OE2-CG1 3.46Å; L566-V628 HydrophobicContact CD1-CG2 3.98Å; V628-V644 CarbonylContact O-C 3.49Å; V628-V644 VanDerWaalsContact O-CA 3.3Å; V628-V644 WeakPolarHBondContact O-CA 3.34Å; V628-N645 PolarHBondContact N-OD1 3.21Å; V628-N645 PolarHBondContact O-N 3.09Å
629I96.6Very high94.3Very high0 Ų036.9 Ų36.90%023%0.226CC..EExtended strand (participates in β ladder)trans-100.7117.5175.6-53.4171000108E564 V565 V567 V576 V578 M600 I602 I631 S643 V644E564-I629 CarbonylContact C-O 3.47Å; E564-I629 WeakPolarHBondContact CA-O 3.32Å; V565-I629 HydrophobicContact CB-CB 4.5Å; V565-I629 PolarHBondContact N-O 2.86Å; V565-I629 PolarHBondContact O-N 2.82Å; V567-I629 HydrophobicContact CG2-CD1 4.08Å; V567-I629 HydrophobicContact CG2-CG1 4.38Å; V576-I629 HydrophobicContact CG1-CD1 3.92Å; V578-I629 HydrophobicContact CG2-CB 4.49Å; V578-I629 HydrophobicContact CG2-CD1 4.19Å; V578-I629 HydrophobicContact CG2-CG2 3.76Å; M600-I629 HydrophobicContact CE-CG2 3.44Å; M600-I629 VanDerWaalsContact CE-CG2 3.44Å; I602-I629 HydrophobicContact CG2-CD1 3.84Å; I629-I631 HydrophobicContact CG2-CD1 4.14Å; I629-I631 WeakPolarHBondContact O-CD1 3.49Å; I629-S643 CarbonylContact C-O 3.6Å; I629-S643 WeakPolarHBondContact CA-O 3.42Å; I629-V644 HydrophobicContact CG1-CG2 4.35Å
630G96.6Very high94.5Very high1 Ų135.2 Ų35.21%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-93.6136.5173.800000111.3Y562 F642 S643Y562-G630 WeakPolarHBondContact OH-CA 3.44Å; G630-F642 CarbonylContact O-C 3.52Å; G630-F642 VanDerWaalsContact O-CA 3.3Å; G630-F642 WeakPolarHBondContact O-CA 3.46Å; G630-S643 WeakPolarHBondContact CA-OG 3.18Å; G630-S643 PolarHBondContact N-O 3.22Å; G630-S643 PolarHBondContact O-N 3.3Å
631I96.9Very high94.6Very high0 Ų029.8 Ų29.80%019%0.192CC..EExtended strand (participates in β ladder)trans-121.2121.6179.1-57.380000108Y562 W563 V565 V578 I629 L640 F642Y562-I631 WeakPolarHBondContact CA-O 3.48Å; Y562-I631 VanDerWaalsContact CD2-O 3.23Å; Y562-I631 WeakPolarHBondContact CD2-O 3.36Å; W563-I631 HydrophobicContact CD2-CB 4.03Å; W563-I631 HydrophobicContact CD2-CG2 4.42Å; W563-I631 HydrophobicContact CG-CB 4.46Å; W563-I631 HydrophobicContact CH2-CB 4.38Å; W563-I631 HydrophobicContact CH2-CG2 3.72Å; W563-I631 HydrophobicContact CZ2-CB 3.78Å; W563-I631 HydrophobicContact CZ2-CG1 4.41Å; W563-I631 HydrophobicContact CZ2-CG2 3.36Å; W563-I631 HydrophobicContact CZ3-CG2 4.39Å; W563-I631 PolarHBondContact N-O 3.25Å; W563-I631 VanDerWaalsContact N-O 3.17Å; W563-I631 PolarHBondContact O-N 3Å; V565-I631 HydrophobicContact CG2-CD1 3.84Å; V578-I631 HydrophobicContact CG2-CD1 4.3Å; V578-I631 HydrophobicContact CG2-CG1 4.41Å; I629-I631 HydrophobicContact CG2-CD1 4.14Å; I629-I631 WeakPolarHBondContact O-CD1 3.49Å; I631-L640 HydrophobicContact CG2-CD1 3.62Å; I631-F642 HydrophobicContact CG1-CD1 3.87Å; I631-F642 HydrophobicContact CG1-CE1 3.89Å; I631-F642 HydrophobicContact CG2-CD1 4.42Å; I631-F642 HydrophobicContact CG2-CE1 4.12Å
632L95.8Very high94.8Very high48 Ų4825 Ų2525%0.25117%0.171SC..EExtended strand (participates in β ladder)trans-114.4112.4175.217665.5000109.7H561 Y562 S641 I683H561-L632 WeakPolarHBondContact O-CA 3.43Å; Y562-L632 HydrophobicContact CD2-CB 4.05Å; L632-S641 PolarHBondContact N-O 2.91Å; L632-S641 PolarHBondContact O-N 2.93Å; L632-I683 HydrophobicContact CD1-CD1 4.3Å; L632-I683 HydrophobicContact CD1-CG1 4.27Å; L632-I683 HydrophobicContact CD1-CG2 4.08Å
633L96.2Very high94.9Very high0 Ų024.2 Ų24.20%016%0.162CC..EExtended strand (participates in β ladder)trans-101.4118.7173177.366.1000109.4L556 R560 H561 W563 V580 C635 L640 L658 L663L556-L633 HydrophobicContact CB-CD2 3.91Å; L556-L633 HydrophobicContact CD1-CD2 4Å; R560-L633 WeakPolarHBondContact CA-O 3.29Å; H561-L633 PolarHBondContact N-O 2.95Å; H561-L633 PolarHBondContact O-N 2.82Å; W563-L633 HydrophobicContact CH2-CB 4.01Å; W563-L633 HydrophobicContact CH2-CD2 4.49Å; W563-L633 HydrophobicContact CZ3-CB 3.96Å; V580-L633 HydrophobicContact CG1-CD1 4.46Å; V580-L633 HydrophobicContact CG1-CD2 4.26Å; L633-C635 VanDerWaalsContact CD2-SG 3.56Å; L633-L640 HydrophobicContact CB-CD1 4.24Å; L633-L640 HydrophobicContact CD1-CD1 4.26Å; L633-L658 HydrophobicContact CD1-CD1 3.66Å; L633-L663 HydrophobicContact CD1-CD1 4.02Å; L633-L663 HydrophobicContact CD2-CB 4.14Å
634D95.2Very high95Very high10 Ų1024.1 Ų24.15%0.05316%0.162CC..EExtended strand (participates in β ladder)trans-105.596.7170.2-172.3-21.9000108.3R560 D636 A637 H638 T639R560-D634 HydrophobicContact CG-CB 4.13Å; R560-D634 IonicContact CZ-OD2 2.85Å; R560-D634 IonicContact NE-OD1 3.2Å; R560-D634 IonicContact NE-OD2 3.89Å; R560-D634 PolarHBondContact NE-OD2 3.11Å; R560-D634 IonicContact NH2-OD2 2.74Å; R560-D634 PolarHBondContact NH2-OD2 2.98Å; D634-D636 VanDerWaalsContact C-N 3.26Å; D634-D636 PolarHBondContact O-N 3.09Å; D634-D636 PolarHBondContact OD1-N 3.09Å; D634-D636 VanDerWaalsContact OD1-N 3.1Å; D634-A637 HydrophobicContact CB-CB 4.14Å; D634-A637 PolarHBondContact OD1-N 3.48Å; D634-A637 WeakPolarHBondContact OD2-CB 3.35Å; D634-H638 WeakPolarHBondContact O-CA 3.36Å; D634-H638 PolarHBondContact O-N 3.16Å; D634-T639 PolarHBondContact N-O 3.16Å; D634-T639 PolarHBondContact O-N 3.26Å
635C93.2Very high95.2Very high10 Ų1027.7 Ų27.77%0.06818%0.176CC..THydrogen-bonded Turntrans-70.1-25.4-179.9-61.40000112.1G559 L633 H638G559-C635 WeakPolarHBondContact O-CB 3.4Å; G559-C635 PolarHBondContact O-N 3.15Å; L633-C635 VanDerWaalsContact CD2-SG 3.56Å; C635-H638 PolarHBondContact O-CE1 2.86Å; C635-H638 PolarHBondContact O-ND1 2.88Å; C635-H638 PolarHBondContact O-NE2 3.28Å
636D92.4Very high95.2Very high95 Ų9525.2 Ų25.251%0.50817%0.168SC..THydrogen-bonded Turntrans-77.3-42-179.9-63.7-26000110.6R558 G559 D634 H638R558-D636 WeakPolarHBondContact CG-OD1 3.18Å; G559-D636 WeakPolarHBondContact CA-OD2 3.46Å; G559-D636 PolarHBondContact N-OD1 2.99Å; G559-D636 PolarHBondContact N-OD2 3.33Å; D634-D636 VanDerWaalsContact C-N 3.26Å; D634-D636 PolarHBondContact O-N 3.09Å; D634-D636 PolarHBondContact OD1-N 3.09Å; D634-D636 VanDerWaalsContact OD1-N 3.1Å; D636-H638 PolarHBondContact O-CD2 3.06Å; D636-H638 VanDerWaalsContact O-CD2 3.28Å; D636-H638 PolarHBondContact O-NE2 2.95Å; D636-H638 VanDerWaalsContact O-NE2 3.09Å
637A95.1Very high95.1Very high50 Ų5032.5 Ų32.541%0.41318%0.18SC..THydrogen-bonded Turntrans-84.6-9.7175.800000114.1D634 T639D634-A637 HydrophobicContact CB-CB 4.14Å; D634-A637 PolarHBondContact OD1-N 3.48Å; D634-A637 WeakPolarHBondContact OD2-CB 3.35Å; A637-T639 HydrophobicContact CB-CG2 4.17Å; A637-T639 WeakPolarHBondContact O-CG2 3.49Å
638H95.7Very high94.9Very high28 Ų2837.1 Ų37.113%0.1320%0.198CC..THydrogen-bonded Turntrans60.345.1-176.1-52-74.1000112.6D634 C635 D636 R656 N657 L658D634-H638 WeakPolarHBondContact O-CA 3.36Å; D634-H638 PolarHBondContact O-N 3.16Å; C635-H638 PolarHBondContact O-CE1 2.86Å; C635-H638 PolarHBondContact O-ND1 2.88Å; C635-H638 PolarHBondContact O-NE2 3.28Å; D636-H638 PolarHBondContact O-CD2 3.06Å; D636-H638 VanDerWaalsContact O-CD2 3.28Å; D636-H638 PolarHBondContact O-NE2 2.95Å; D636-H638 VanDerWaalsContact O-NE2 3.09Å; H638-R656 CarbonylContact O-C 3.59Å; H638-N657 PolarHBondContact O-N 3.34Å; H638-L658 HydrophobicContact CB-CB 4.31Å; H638-L658 PolarHBondContact O-N 3.08Å; H638-L658 VanDerWaalsContact O-N 3.12Å
639T97Very high94.4Very high18 Ų1836.1 Ų36.111%0.1119%0.191CC..EExtended strand (participates in β ladder)trans-129.3149.7-176.668.80000113.1D634 A637 L653 F655 R656D634-T639 PolarHBondContact N-O 3.16Å; D634-T639 PolarHBondContact O-N 3.26Å; A637-T639 HydrophobicContact CB-CG2 4.17Å; A637-T639 WeakPolarHBondContact O-CG2 3.49Å; T639-L653 HydrophobicContact CG2-CD1 3.84Å; T639-F655 VanDerWaalsContact CA-O 3.29Å; T639-F655 WeakPolarHBondContact CA-O 3.48Å; T639-F655 WeakPolarHBondContact CB-O 3.4Å; T639-R656 HydrophobicContact CG2-CG 4.38Å
640L96.8Very high93.8Very high0 Ų037 Ų370%020%0.197CC..EExtended strand (participates in β ladder)trans-125.6138.7173.9-175.866.2000109.1V580 W598 I631 L633 F642 A654 F655 L658V580-L640 HydrophobicContact CG1-CD1 3.97Å; V580-L640 HydrophobicContact CG2-CD1 4.42Å; V580-L640 HydrophobicContact CG2-CD2 3.78Å; W598-L640 HydrophobicContact CB-CD2 4.07Å; I631-L640 HydrophobicContact CG2-CD1 3.62Å; L633-L640 HydrophobicContact CB-CD1 4.24Å; L633-L640 HydrophobicContact CD1-CD1 4.26Å; L640-F642 HydrophobicContact CD1-CZ 4.47Å; L640-F642 HydrophobicContact CD2-CE1 4.48Å; L640-F642 HydrophobicContact CD2-CE2 3.72Å; L640-F642 HydrophobicContact CD2-CZ 3.46Å; L640-F642 VanDerWaalsContact CD2-CZ 3.46Å; L640-F642 HydrophobicContact CG-CE2 3.8Å; L640-F642 HydrophobicContact CG-CZ 3.82Å; L640-A654 WeakPolarHBondContact O-CB 3.32Å; L640-A654 PolarHBondContact O-N 3.12Å; L640-A654 VanDerWaalsContact O-N 3.16Å; L640-F655 HydrophobicContact CB-CB 4.19Å; L640-F655 HydrophobicContact CB-CD2 4.13Å; L640-F655 HydrophobicContact CD2-CD2 3.75Å; L640-F655 HydrophobicContact CD2-CE2 4.19Å; L640-F655 HydrophobicContact CG-CD2 4.33Å; L640-F655 PolarHBondContact N-O 3.31Å; L640-F655 VanDerWaalsContact N-O 3.11Å; L640-F655 PolarHBondContact O-N 2.95Å; L640-F655 VanDerWaalsContact O-N 3.16Å; L640-L658 HydrophobicContact CB-CD1 3.88Å
641S95.4Very high93.1Very high12 Ų1242.9 Ų42.98%0.08424%0.238CC..EExtended strand (participates in β ladder)trans-141.8154.3174.464.80000112L632L632-S641 PolarHBondContact N-O 2.91Å; L632-S641 PolarHBondContact O-N 2.93Å
642F96Very high92.5Very high4 Ų449.3 Ų49.32%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-125.4144.8-176.3-59.2-91000110.7V578 M600 Y609 G630 I631 L640 A654 F655V578-F642 HydrophobicContact CG2-CD1 4.5Å; V578-F642 HydrophobicContact CG2-CE1 4.33Å; V578-F642 WeakPolarHBondContact O-CE1 3.23Å; M600-F642 HydrophobicContact CB-CD1 3.81Å; M600-F642 HydrophobicContact CB-CD2 3.95Å; M600-F642 HydrophobicContact CB-CE1 3.84Å; M600-F642 HydrophobicContact CB-CE2 3.98Å; M600-F642 HydrophobicContact CB-CG 3.87Å; M600-F642 HydrophobicContact CB-CZ 3.92Å; M600-F642 HydrophobicContact CE-CB 3.93Å; M600-F642 HydrophobicContact CE-CD1 4.1Å; M600-F642 HydrophobicContact CE-CG 4.2Å; M600-F642 HydrophobicContact SD-CB 3.69Å; M600-F642 HydrophobicContact SD-CD1 4.42Å; M600-F642 HydrophobicContact SD-CG 3.99Å; Y609-F642 AromaticContact CD1-CD2 3.93Å; Y609-F642 HydrophobicContact CD1-CD2 3.93Å; Y609-F642 HydrophobicContact CD1-CE2 4.11Å; Y609-F642 HydrophobicContact CE1-CB 4.46Å; Y609-F642 AromaticContact CE1-CD2 3.57Å; Y609-F642 HydrophobicContact CE1-CD2 3.57Å; Y609-F642 HydrophobicContact CE1-CE2 4.21Å; Y609-F642 HydrophobicContact CE1-CG 4.34Å; G630-F642 CarbonylContact O-C 3.52Å; G630-F642 VanDerWaalsContact O-CA 3.3Å; G630-F642 WeakPolarHBondContact O-CA 3.46Å; I631-F642 HydrophobicContact CG1-CD1 3.87Å; I631-F642 HydrophobicContact CG1-CE1 3.89Å; I631-F642 HydrophobicContact CG2-CD1 4.42Å; I631-F642 HydrophobicContact CG2-CE1 4.12Å; L640-F642 HydrophobicContact CD1-CZ 4.47Å; L640-F642 HydrophobicContact CD2-CE1 4.48Å; L640-F642 HydrophobicContact CD2-CE2 3.72Å; L640-F642 HydrophobicContact CD2-CZ 3.46Å; L640-F642 VanDerWaalsContact CD2-CZ 3.46Å; L640-F642 HydrophobicContact CG-CE2 3.8Å; L640-F642 HydrophobicContact CG-CZ 3.82Å; F642-A654 HydrophobicContact CD2-CB 3.56Å; F642-A654 HydrophobicContact CE2-CB 3.68Å; F642-F655 HydrophobicContact CE2-CD2 4.32Å; F642-F655 HydrophobicContact CE2-CE2 4.08Å
643S95Very high92Very high9 Ų949.2 Ų49.26%0.06327%0.267CS..EExtended strand (participates in β ladder)trans-126.4154.1168.965.20000109.4I629 G630 R647I629-S643 CarbonylContact C-O 3.6Å; I629-S643 WeakPolarHBondContact CA-O 3.42Å; G630-S643 WeakPolarHBondContact CA-OG 3.18Å; G630-S643 PolarHBondContact N-O 3.22Å; G630-S643 PolarHBondContact O-N 3.3Å; S643-R647 CarbonylContact C-O 3.51Å; S643-R647 VanDerWaalsContact CA-O 3.31Å; S643-R647 WeakPolarHBondContact CA-O 3.48Å
644V95.5Very high91.8Very high9 Ų949.4 Ų49.46%0.05527%0.269CS..EExtended strand (participates in β ladder)trans-128.4125.9168.61800000107.4M600 I602 I623 V628 I629 G646 R647 Q649M600-V644 HydrophobicContact CE-CG2 4.11Å; I602-V644 HydrophobicContact CD1-CG2 3.87Å; I623-V644 HydrophobicContact CG2-CG1 3.86Å; V628-V644 CarbonylContact O-C 3.49Å; V628-V644 VanDerWaalsContact O-CA 3.3Å; V628-V644 WeakPolarHBondContact O-CA 3.34Å; I629-V644 HydrophobicContact CG1-CG2 4.35Å; V644-G646 PolarHBondContact O-N 2.69Å; V644-R647 PolarHBondContact N-O 2.83Å; V644-R647 PolarHBondContact O-N 3.18Å; V644-Q649 HydrophobicContact CG2-CG 4.11Å
645N93.9Very high91.9Very high95 Ų9549.7 Ų49.751%0.50827%0.27SS..THydrogen-bonded Turntrans50.645.5-175.3-56-31.7000111.5S627 V628 R647S627-N645 WeakPolarHBondContact CA-OD1 3.4Å; V628-N645 PolarHBondContact N-OD1 3.21Å; V628-N645 PolarHBondContact O-N 3.09Å; N645-R647 VanDerWaalsContact C-N 3.25Å; N645-R647 PolarHBondContact O-N 2.88Å
646G91Very high92Very high42 Ų4257.3 Ų57.343%0.43330%0.297SS..THydrogen-bonded Turntrans73.82.5-179.500000115.6V644V644-G646 PolarHBondContact O-N 2.69Å
647R92Very high92.1Very high202 Ų20259.9 Ų59.976%0.76231%0.31SS*.EExtended strand (participates in β ladder)trans-116.6134.8-177.6-61.7-177.6-177.6-167.9-0.1111.6S643 V644 N645S643-R647 CarbonylContact C-O 3.51Å; S643-R647 VanDerWaalsContact CA-O 3.31Å; S643-R647 WeakPolarHBondContact CA-O 3.48Å; V644-R647 PolarHBondContact N-O 2.83Å; V644-R647 PolarHBondContact O-N 3.18Å; N645-R647 VanDerWaalsContact C-N 3.25Å; N645-R647 PolarHBondContact O-N 2.88Å
648K90.3Very high92.1Very high109 Ų10957.8 Ų57.847%0.47429%0.293SS..EExtended strand (participates in β ladder)trans-65.2141.6173.9-67.8-175.2177.4177.70111T650K648-T650 WeakPolarHBondContact CB-O 3.39Å
649Q85.4Confident92Very high16 Ų1658.4 Ų58.48%0.07530%0.299CS..SBendtrans-70.9-44.2175.8-70.8-60.4-17.200111.5M600 V619 K621 V644M600-Q649 HydrophobicContact SD-CG 4.16Å; V619-Q649 HydrophobicContact CG2-CB 4.19Å; K621-Q649 PolarHBondContact NZ-O 3.5Å; V644-Q649 HydrophobicContact CG2-CG 4.11Å
650T85.5Confident91.8Very high20 Ų2067.5 Ų67.512%0.12333%0.331CS..SBendtrans-122157.2-178.357.30000111.2Y609 V619 K648 E652Y609-T650 HydrophobicContact CE2-CG2 4.13Å; Y609-T650 PolarHBondContact OH-OG1 3.11Å; V619-T650 HydrophobicContact CG1-CG2 3.81Å; K648-T650 WeakPolarHBondContact CB-O 3.39Å; T650-E652 VanDerWaalsContact C-N 3.3Å; T650-E652 PolarHBondContact OG1-O 3.3Å
651S82.1Confident91.7Very high124 Ų12471 Ų7187%0.86735%0.352SS*.SBendtrans-71.9-27.5169.849.30000112.4
652E82.8Confident91.6Very high134 Ų13472.3 Ų72.363%0.62636%0.364SS*.SBendtrans-83.8154.4179.4-62178.3176.300112.2T650T650-E652 VanDerWaalsContact C-N 3.3Å; T650-E652 PolarHBondContact OG1-O 3.3Å
653L86.1Confident91.6Very high47 Ų4772.3 Ų72.325%0.24636%0.364CS..  trans-66.5143.7169.5-70175.4000110.2T639 R656T639-L653 HydrophobicContact CG2-CD1 3.84Å; L653-R656 HydrophobicContact CB-CG 4.46Å; L653-R656 HydrophobicContact CD1-CG 4.38Å
654A92.6Very high91.7Very high3 Ų374.2 Ų74.23%0.02537%0.37CS..SBendtrans-69.6-47.1-178.400000111.5Y609 H616 L640 F642Y609-A654 HydrophobicContact CD1-CB 3.6Å; Y609-A654 HydrophobicContact CD2-CB 3.79Å; Y609-A654 HydrophobicContact CE1-CB 3.49Å; Y609-A654 VanDerWaalsContact CE1-CB 3.49Å; Y609-A654 HydrophobicContact CE2-CB 3.67Å; Y609-A654 HydrophobicContact CG-CB 3.77Å; H616-A654 PolarHBondContact CE1-O 3.48Å; L640-A654 WeakPolarHBondContact O-CB 3.32Å; L640-A654 PolarHBondContact O-N 3.12Å; L640-A654 VanDerWaalsContact O-N 3.16Å; F642-A654 HydrophobicContact CD2-CB 3.56Å; F642-A654 HydrophobicContact CE2-CB 3.68Å
655F96.5Very high91.8Very high17 Ų1773.8 Ų73.88%0.07537%0.368CS..EExtended strand (participates in β ladder)trans-138.2146.8176.8-58.1-83.9000111.4W598 S599 H611 H616 T639 L640 F642 L658W598-F655 HydrophobicContact CB-CD1 4.49Å; W598-F655 HydrophobicContact CB-CD2 4.04Å; W598-F655 HydrophobicContact CB-CE1 4.45Å; W598-F655 HydrophobicContact CB-CE2 3.98Å; W598-F655 HydrophobicContact CB-CG 4.26Å; W598-F655 HydrophobicContact CB-CZ 4.18Å; W598-F655 AromaticContact CD1-CD1 3.59Å; W598-F655 AromaticContact CD1-CE1 3.92Å; W598-F655 AromaticContact CD1-CG 3.9Å; W598-F655 HydrophobicContact CG-CD1 4.43Å; W598-F655 HydrophobicContact CG-CG 4.43Å; S599-F655 WeakPolarHBondContact O-CE2 3.48Å; S599-F655 WeakPolarHBondContact O-CZ 3.3Å; H611-F655 HydrophobicContact CB-CE1 3.68Å; H611-F655 HydrophobicContact CB-CZ 4.23Å; H616-F655 AromaticContact NE2-CE1 3.77Å; T639-F655 VanDerWaalsContact CA-O 3.29Å; T639-F655 WeakPolarHBondContact CA-O 3.48Å; T639-F655 WeakPolarHBondContact CB-O 3.4Å; L640-F655 HydrophobicContact CB-CB 4.19Å; L640-F655 HydrophobicContact CB-CD2 4.13Å; L640-F655 HydrophobicContact CD2-CD2 3.75Å; L640-F655 HydrophobicContact CD2-CE2 4.19Å; L640-F655 HydrophobicContact CG-CD2 4.33Å; L640-F655 PolarHBondContact N-O 3.31Å; L640-F655 VanDerWaalsContact N-O 3.11Å; L640-F655 PolarHBondContact O-N 2.95Å; L640-F655 VanDerWaalsContact O-N 3.16Å; F642-F655 HydrophobicContact CE2-CD2 4.32Å; F642-F655 HydrophobicContact CE2-CE2 4.08Å; F655-L658 HydrophobicContact CB-CD2 4.03Å; F655-L658 HydrophobicContact CB-CG 4.5Å
656R94.9Very high91.9Very high169 Ų16969.3 Ų69.364%0.63834%0.343SS*.EExtended strand (participates in β ladder)trans-129.1156.9173.4-63.3177.8179.8-91.63.4108.5H638 T639 L653 L658H638-R656 CarbonylContact O-C 3.59Å; T639-R656 HydrophobicContact CG2-CG 4.38Å; L653-R656 HydrophobicContact CB-CG 4.46Å; L653-R656 HydrophobicContact CD1-CG 4.38Å; R656-L658 VanDerWaalsContact C-N 3.31Å; R656-L658 PolarHBondContact O-N 3.13Å
657N93.8Very high92.1Very high149 Ų14967.4 Ų67.480%0.79732%0.323SS*.SBendtrans59.140.8179.8-50.8-43.8000112.8H638H638-N657 PolarHBondContact O-N 3.34Å
658L96Very high92.2Very high7 Ų757.8 Ų57.84%0.03729%0.287CS..  trans-55.3153.1168.6-67.9171.4000111W598 L633 H638 L640 F655 R656 L663W598-L658 HydrophobicContact CB-CD2 4.22Å; W598-L658 HydrophobicContact CD2-CD2 3.7Å; W598-L658 HydrophobicContact CE3-CD2 4.41Å; W598-L658 HydrophobicContact CG-CD2 3.56Å; L633-L658 HydrophobicContact CD1-CD1 3.66Å; H638-L658 HydrophobicContact CB-CB 4.31Å; H638-L658 PolarHBondContact O-N 3.08Å; H638-L658 VanDerWaalsContact O-N 3.12Å; L640-L658 HydrophobicContact CB-CD1 3.88Å; F655-L658 HydrophobicContact CB-CD2 4.03Å; F655-L658 HydrophobicContact CB-CG 4.5Å; R656-L658 VanDerWaalsContact C-N 3.31Å; R656-L658 PolarHBondContact O-N 3.13Å; L658-L663 HydrophobicContact CB-CD1 4.25Å; L658-L663 HydrophobicContact CD1-CD1 4.22Å
659P94.5Very high92.1Very high40 Ų4052.6 Ų52.626%0.2627%0.265SS..  trans-65.8147.1-179.530.8-38.9000111.5W598 V661 L663W598-P659 HydrophobicContact CH2-CG 3.45Å; W598-P659 VanDerWaalsContact CH2-CG 3.45Å; W598-P659 HydrophobicContact CZ2-CG 3.9Å; W598-P659 HydrophobicContact CZ3-CG 4Å; P659-V661 HydrophobicContact CB-CG2 3.94Å; P659-V661 HydrophobicContact CG-CG2 3.9Å; P659-V661 PolarHBondContact O-N 3.26Å; P659-L663 HydrophobicContact CG-CD2 4.11Å
660R92.6Very high92.2Very high210 Ų21052.2 Ų52.279%0.79226%0.263SS*.SBendtrans-8355.1178.5-62-177.9178.4-114.8-2.2111.7
661V93.5Very high92.3Very high72 Ų7257.3 Ų57.344%0.43628%0.28SS..SBendtrans-130.9168.5179.4-600000109.2T582 P659 L663T582-V661 HydrophobicContact CG2-CG2 3.88Å; P659-V661 HydrophobicContact CB-CG2 3.94Å; P659-V661 HydrophobicContact CG-CG2 3.9Å; P659-V661 PolarHBondContact O-N 3.26Å; V661-L663 HydrophobicContact CG2-CD2 4.48Å; V661-L663 PolarHBondContact O-N 3.28Å
662A93.4Very high92.6Very high40 Ų4053 Ų5333%0.33125%0.247SC..  trans-63124.6170.800000110Y664A662-Y664 HydrophobicContact CB-CE2 4.49Å
663L96.9Very high92.9Very high4 Ų446.9 Ų46.92%0.02122%0.219CC..BIsolated β-bridgetrans-109.1130.1176.3-70.6173.5000109.5L556 V580 A581 T582 W598 L633 L658 P659 V661L556-L663 WeakPolarHBondContact CB-O 3.32Å; L556-L663 PolarHBondContact N-O 2.85Å; L556-L663 PolarHBondContact O-N 3Å; V580-L663 HydrophobicContact CB-CB 4.33Å; V580-L663 HydrophobicContact CG2-CD1 4.2Å; A581-L663 WeakPolarHBondContact O-CA 3.34Å; T582-L663 HydrophobicContact CG2-CD2 4.14Å; W598-L663 HydrophobicContact CE3-CD2 4.17Å; W598-L663 HydrophobicContact CZ3-CD2 3.8Å; L633-L663 HydrophobicContact CD1-CD1 4.02Å; L633-L663 HydrophobicContact CD2-CB 4.14Å; L658-L663 HydrophobicContact CB-CD1 4.25Å; L658-L663 HydrophobicContact CD1-CD1 4.22Å; P659-L663 HydrophobicContact CG-CD2 4.11Å; V661-L663 HydrophobicContact CG2-CD2 4.48Å; V661-L663 PolarHBondContact O-N 3.28Å
664Y96.7Very high93.2Very high50 Ų5047.6 Ų47.620%0.19622%0.221CC..EExtended strand (participates in β ladder)trans-98.5139.6179.3-64.8-95.7000109.5L551 G552 G555 V580 A581 E583 A662 A666L551-Y664 HydrophobicContact CD1-CD2 4.37Å; L551-Y664 HydrophobicContact CD1-CG 4.13Å; G552-Y664 WeakPolarHBondContact O-CD1 3.43Å; G555-Y664 VanDerWaalsContact CA-CE1 3.49Å; G555-Y664 VanDerWaalsContact N-CE1 3.3Å; V580-Y664 CarbonylContact C-O 3.58Å; V580-Y664 WeakPolarHBondContact CA-O 3.43Å; A581-Y664 PolarHBondContact N-O 3.21Å; A581-Y664 PolarHBondContact O-N 3.11Å; E583-Y664 HydrophobicContact CB-CE2 3.96Å; A662-Y664 HydrophobicContact CB-CE2 4.49Å; Y664-A666 PolarHBondContact O-N 3.49Å
665P97.1Very high93.3Very high0 Ų047.6 Ų47.60%022%0.221CC..EExtended strand (participates in β ladder)trans-50.8134.8162.9-25.335.4000109.7F520 L551 G552 V554 L556 W563 F667F520-P665 HydrophobicContact CD1-CG 4.29Å; F520-P665 HydrophobicContact CD2-CB 4.24Å; F520-P665 HydrophobicContact CD2-CG 3.85Å; F520-P665 HydrophobicContact CE1-CG 3.86Å; F520-P665 HydrophobicContact CE2-CB 3.55Å; F520-P665 HydrophobicContact CE2-CG 3.37Å; F520-P665 HydrophobicContact CG-CG 4.29Å; F520-P665 HydrophobicContact CZ-CB 3.88Å; F520-P665 HydrophobicContact CZ-CG 3.37Å; L551-P665 CarbonylContact C-O 3.56Å; L551-P665 VanDerWaalsContact CA-O 3.29Å; L551-P665 WeakPolarHBondContact CA-O 3.41Å; G552-P665 PolarHBondContact N-O 2.96Å; V554-P665 WeakPolarHBondContact O-CD 3.34Å; L556-P665 HydrophobicContact CD1-CG 4.35Å; W563-P665 HydrophobicContact CH2-CB 4.45Å; W563-P665 HydrophobicContact CH2-CG 4.19Å; W563-P665 HydrophobicContact CZ2-CB 3.8Å; W563-P665 HydrophobicContact CZ2-CG 4.02Å; P665-F667 HydrophobicContact CB-CE2 4.04Å; P665-F667 HydrophobicContact CB-CZ 3.8Å
666A96.9Very high93.2Very high0 Ų047.6 Ų47.60%022%0.222CC..EExtended strand (participates in β ladder)trans-138.5137.2-172.200000111.8V549 V550 L551 V578 G579 A581 L591 Y664V549-A666 HydrophobicContact CG1-CB 4.48Å; V550-A666 WeakPolarHBondContact O-CA 3.23Å; L551-A666 HydrophobicContact CD2-CB 3.51Å; V578-A666 CarbonylContact C-O 3.51Å; V578-A666 WeakPolarHBondContact CA-O 3.37Å; G579-A666 PolarHBondContact N-O 2.76Å; G579-A666 PolarHBondContact O-N 2.61Å; A581-A666 HydrophobicContact CB-CB 3.79Å; L591-A666 HydrophobicContact CD1-CB 3.79Å; L591-A666 HydrophobicContact CD2-CB 3.66Å; L591-A666 HydrophobicContact CG-CB 4.39Å; Y664-A666 PolarHBondContact O-N 3.49Å
667F95.3Very high93.3Very high3 Ų340.1 Ų40.11%0.01320%0.195CC..EExtended strand (participates in β ladder)trans-135.4128.2-173.6-42.7-83000109.3L522 V549 V550 V565 V578 P665 L675 L677L522-F667 HydrophobicContact CD2-CD2 3.47Å; L522-F667 VanDerWaalsContact CD2-CD2 3.47Å; L522-F667 HydrophobicContact CD2-CE2 3.65Å; L522-F667 HydrophobicContact CD2-CG 4.33Å; V549-F667 CarbonylContact C-O 3.53Å; V549-F667 WeakPolarHBondContact CA-O 3.49Å; V550-F667 PolarHBondContact N-O 3.35Å; V550-F667 PolarHBondContact O-N 3.27Å; V565-F667 HydrophobicContact CG2-CD1 3.94Å; V565-F667 HydrophobicContact CG2-CE1 3.47Å; V565-F667 VanDerWaalsContact CG2-CE1 3.47Å; V578-F667 HydrophobicContact CB-CD1 4.42Å; V578-F667 HydrophobicContact CG1-CD1 4.02Å; P665-F667 HydrophobicContact CB-CE2 4.04Å; P665-F667 HydrophobicContact CB-CZ 3.8Å; F667-L675 HydrophobicContact CB-CD1 4.49Å; F667-L677 HydrophobicContact CE1-CD1 4.27Å; F667-L677 HydrophobicContact CE2-CD2 4.47Å; F667-L677 HydrophobicContact CZ-CD1 3.79Å; F667-L677 HydrophobicContact CZ-CD2 4.34Å
668S93.3Very high93.3Very high0 Ų036.8 Ų36.80%017%0.174CC..EExtended strand (participates in β ladder)trans-97.6128.2166.7-49.70000110.5R548 V577 L591R548-S668 VanDerWaalsContact O-CA 3.27Å; R548-S668 WeakPolarHBondContact O-CA 3.4Å; V577-S668 PolarHBondContact O-N 2.91Å; L591-S668 WeakPolarHBondContact CB-OG 3.06Å; L591-S668 PolarHBondContact N-OG 2.91Å
669V87.8Confident93.2Very high0 Ų037.4 Ų37.40%018%0.179CC..EExtended strand (participates in β ladder)trans-120147.2175.1-71.90000111.5V540 Y547 R548 V550 L675V540-V669 HydrophobicContact CB-CG1 4.26Å; V540-V669 HydrophobicContact CG1-CG1 3.68Å; V540-V669 HydrophobicContact CG2-CB 4.29Å; V540-V669 HydrophobicContact CG2-CG1 3.79Å; V540-V669 HydrophobicContact CG2-CG2 3.66Å; Y547-V669 WeakPolarHBondContact CA-O 3.31Å; R548-V669 PolarHBondContact N-O 3.34Å; R548-V669 PolarHBondContact O-N 3.27Å; V550-V669 HydrophobicContact CG2-CG2 4.45Å; V669-L675 HydrophobicContact CG1-CD1 3.91Å; V669-L675 HydrophobicContact CG1-CG 4.26Å
670N87.8Confident92.9Very high7 Ų737.2 Ų37.24%0.03719%0.185CC..  trans-130.3179.3165.271.622.7000108.4S544 Y547 N672 A673S544-N670 CarbonylContact O-C 3.59Å; Y547-N670 HydrophobicContact CD1-CB 4.13Å; Y547-N670 HydrophobicContact CE1-CB 4.03Å; Y547-N670 WeakPolarHBondContact CE1-ND2 3.16Å; Y547-N670 PolarHBondContact OH-ND2 2.88Å; N670-N672 PolarHBondContact O-N 2.82Å; N670-N672 VanDerWaalsContact O-N 3.09Å; N670-N672 WeakPolarHBondContact OD1-CA 3.18Å; N670-N672 WeakPolarHBondContact OD1-CB 3.41Å; N670-N672 PolarHBondContact OD1-N 2.85Å; N670-A673 PolarHBondContact O-N 2.79Å; N670-A673 PolarHBondContact OD1-N 2.96Å
671R88.1Confident92.7Very high127 Ų12729.7 Ų29.748%0.47916%0.159SC..THydrogen-bonded Turntrans-64-13.3-17772.5174-165.2-164.5-0.7116.3S542 S544 L545S542-R671 WeakPolarHBondContact O-CA 3.45Å; S544-R671 WeakPolarHBondContact O-CB 3.13Å; S544-R671 PolarHBondContact O-N 3.39Å; L545-R671 HydrophobicContact CD2-CG 4.04Å; L545-R671 HydrophobicContact CG-CG 4.36Å
672N88.3Confident92.4Very high35 Ų3531.9 Ų31.919%0.18717%0.169CC..THydrogen-bonded Turntrans-99.5-2.1-175.4-60.7-19.5000112.6D571 A574 N670D571-N672 PolarHBondContact N-O 3.05Å; A574-N672 HydrophobicContact CB-CB 3.5Å; A574-N672 WeakPolarHBondContact CB-O 3.19Å; N670-N672 PolarHBondContact O-N 2.82Å; N670-N672 VanDerWaalsContact O-N 3.09Å; N670-N672 WeakPolarHBondContact OD1-CA 3.18Å; N670-N672 WeakPolarHBondContact OD1-CB 3.41Å; N670-N672 PolarHBondContact OD1-N 2.85Å
673A88.8Confident92.2Very high4 Ų433.5 Ų33.53%0.03317%0.171CC..EExtended strand (participates in β ladder)trans-126.4141.4179.300000111.8R569 A574 V576 N670R569-A673 WeakPolarHBondContact O-CA 3.46Å; A574-A673 HydrophobicContact CB-CB 4.22Å; V576-A673 HydrophobicContact CG2-CB 4.2Å; N670-A673 PolarHBondContact O-N 2.79Å; N670-A673 PolarHBondContact OD1-N 2.96Å
674H92.4Very high91.7Very high63 Ų6335.8 Ų35.829%0.29219%0.186SC..EExtended strand (participates in β ladder)trans-125.3123.4167.8-176.8-127.5000108S539 V540 S568 R569S539-H674 WeakPolarHBondContact CB-NE2 3.47Å; V540-H674 PolarHBondContact O-CD2 2.98Å; S568-H674 VanDerWaalsContact CB-ND1 3.33Å; S568-H674 WeakPolarHBondContact CB-ND1 3.17Å; S568-H674 WeakPolarHBondContact CB-O 3.48Å; S568-H674 PolarHBondContact N-O 2.87Å; R569-H674 HydrophobicContact CB-CB 3.63Å; R569-H674 PolarHBondContact N-O 2.97Å; R569-H674 VanDerWaalsContact N-O 3.15Å; R569-H674 PolarHBondContact O-N 2.94Å
675L94.6Very high90.6Very high3 Ų341.8 Ų41.82%0.01622%0.216CC..EExtended strand (participates in β ladder)trans-116.8139.9-176.1-55179000109.4S539 V540 V565 L566 V567 V576 V578 F667 V669S539-L675 CarbonylContact C-O 3.3Å; S539-L675 WeakPolarHBondContact CA-O 2.79Å; V540-L675 HydrophobicContact CG1-CB 3.98Å; V540-L675 PolarHBondContact N-O 3.07Å; V540-L675 PolarHBondContact O-N 2.78Å; V565-L675 HydrophobicContact CG1-CB 3.86Å; V565-L675 HydrophobicContact CG1-CD1 4.33Å; V565-L675 HydrophobicContact CG1-CD2 4.18Å; V565-L675 HydrophobicContact CG1-CG 4.35Å; L566-L675 WeakPolarHBondContact O-CA 3.24Å; V567-L675 HydrophobicContact CG2-CD2 4.31Å; V576-L675 HydrophobicContact CG1-CD1 4.07Å; V576-L675 HydrophobicContact CG1-CD2 3.73Å; V576-L675 HydrophobicContact CG2-CD2 4.01Å; V578-L675 HydrophobicContact CG1-CD1 4.33Å; F667-L675 HydrophobicContact CB-CD1 4.49Å; V669-L675 HydrophobicContact CG1-CD1 3.91Å; V669-L675 HydrophobicContact CG1-CG 4.26Å
676T95.4Very high88.6Confident17 Ų1747.1 Ų47.110%0.10424%0.244CC..EExtended strand (participates in β ladder)trans-120.2124.3173.5-59.50000109S538 S539 V565 L566 S568S538-T676 CarbonylContact O-C 3.47Å; S538-T676 WeakPolarHBondContact O-CA 3.45Å; S539-T676 WeakPolarHBondContact OG-CG2 3.44Å; S539-T676 PolarHBondContact OG-OG1 3.45Å; V565-T676 CarbonylContact C-O 3.51Å; V565-T676 WeakPolarHBondContact CA-O 3.45Å; L566-T676 PolarHBondContact N-O 3.31Å; L566-T676 PolarHBondContact O-N 3.07Å; S568-T676 PolarHBondContact OG-OG1 3.16Å
677L96.2Very high85.7Confident12 Ų1253.7 Ų53.76%0.06328%0.279CS..EExtended strand (participates in β ladder)trans-86.2133.9-178.8171.263.4000110.6F520 L522 S538 W563 F667F520-L677 HydrophobicContact CD2-CD2 3.7Å; F520-L677 HydrophobicContact CE2-CD1 3.66Å; F520-L677 HydrophobicContact CE2-CD2 3.6Å; F520-L677 HydrophobicContact CE2-CG 4.16Å; F520-L677 HydrophobicContact CZ-CD1 4.22Å; L522-L677 HydrophobicContact CD2-CD2 4.42Å; L522-L677 HydrophobicContact CG-CD2 4.24Å; S538-L677 WeakPolarHBondContact O-CB 3.35Å; S538-L677 PolarHBondContact O-N 3.07Å; W563-L677 HydrophobicContact CB-CD1 4.5Å; W563-L677 HydrophobicContact CG-CD1 4.45Å; F667-L677 HydrophobicContact CE1-CD1 4.27Å; F667-L677 HydrophobicContact CE2-CD2 4.47Å; F667-L677 HydrophobicContact CZ-CD1 3.79Å; F667-L677 HydrophobicContact CZ-CD2 4.34Å
678H94.2Very high82.6Confident79 Ų7958.8 Ų58.837%0.36632%0.315SS..EExtended strand (participates in β ladder)trans-121.8106.4168.9-57.5-71.9000109.3W563 E564 I681W563-H678 WeakPolarHBondContact CB-O 3.34Å; E564-H678 HydrophobicContact CB-CB 4.35Å; E564-H678 PolarHBondContact N-O 3.03Å; E564-H678 PolarHBondContact O-N 2.87Å; H678-I681 HydrophobicContact CB-CD1 3.79Å; H678-I681 WeakPolarHBondContact O-CD1 3.2Å
679S93.6Very high79.5Confident20 Ų2065 Ų6514%0.1435%0.353CS..  trans-106.1173.2178.764.20000111F520 I681F520-S679 PolarHBondContact N-OG 3.21Å; F520-S679 VanDerWaalsContact N-OG 3.09Å; F520-S679 WeakPolarHBondContact O-CB 3.31Å; F520-S679 PolarHBondContact O-OG 3.06Å; S679-I681 PolarHBondContact O-N 3.05Å
680G88Confident76.8Confident36 Ų3672.1 Ų72.137%0.37139%0.391SS..SBendtrans68.929.3-17900000114.5A518A518-G680 WeakPolarHBondContact O-CA 3.28Å; A518-G680 PolarHBondContact O-N 3.17Å
681I89Confident74.2Confident51 Ų5176.7 Ų76.726%0.26242%0.424SS..PPolyproline II helixtrans-98.4137.4-178.9-52.8175.2000109.5Y562 E564 H678 S679Y562-I681 HydrophobicContact CD1-CB 4.15Å; Y562-I681 HydrophobicContact CD1-CG2 4.01Å; Y562-I681 HydrophobicContact CE1-CG2 4.18Å; E564-I681 HydrophobicContact CB-CD1 3.89Å; E564-I681 HydrophobicContact CG-CD1 3.81Å; H678-I681 HydrophobicContact CB-CD1 3.79Å; H678-I681 WeakPolarHBondContact O-CD1 3.2Å; S679-I681 PolarHBondContact O-N 3.05Å
682D86.8Confident71.5Confident118 Ų11875.8 Ų75.863%0.63144%0.437SS*.PPolyproline II helixtrans-64.6147171.8-66.4-33.5000111.7P684D682-P684 VanDerWaalsContact O-CD 3.24Å; D682-P684 WeakPolarHBondContact O-CD 3.43Å
683I89.3Confident69Low74 Ų7480.2 Ų80.238%0.37947%0.471SS..PPolyproline II helixtrans-64.6120.9179.4-58.1169.1000108.9R560 L632 Q685R560-I683 HydrophobicContact CB-CD1 3.46Å; R560-I683 VanDerWaalsContact CB-CD1 3.46Å; L632-I683 HydrophobicContact CD1-CD1 4.3Å; L632-I683 HydrophobicContact CD1-CG1 4.27Å; L632-I683 HydrophobicContact CD1-CG2 4.08Å; I683-Q685 PolarHBondContact O-N 3Å
684P85.5Confident66.3Low53 Ų5384.3 Ų84.334%0.34450%0.499SS..PPolyproline II helixtrans-60.1130178.6-2433.7000111.1Y562 D682 L686Y562-P684 VanDerWaalsContact CD1-CD 3.49Å; Y562-P684 HydrophobicContact CD1-CG 4.07Å; Y562-P684 HydrophobicContact CE1-CG 3.56Å; Y562-P684 HydrophobicContact CE2-CG 4.3Å; D682-P684 VanDerWaalsContact O-CD 3.24Å; D682-P684 WeakPolarHBondContact O-CD 3.43Å; P684-L686 VanDerWaalsContact C-N 3.33Å; P684-L686 PolarHBondContact O-N 3Å
685Q75Confident63.7Low175 Ų17588.2 Ų88.282%0.81852%0.522SS*.  trans-71.891.6169-62.7-170.52.900108.1I683 D687I683-Q685 PolarHBondContact O-N 3Å; Q685-D687 PolarHBondContact O-N 2.92Å; Q685-D687 VanDerWaalsContact O-N 3.11Å
686L55.3Low61.1Low112 Ų11297.2 Ų97.259%0.58656%0.564SS**  trans-78.293.2171.8-85142000107.9P684 S688P684-L686 VanDerWaalsContact C-N 3.33Å; P684-L686 PolarHBondContact O-N 3Å; L686-S688 PolarHBondContact O-N 3.23Å
687D34.8Very low58.1Low138 Ų138108 Ų10874%0.73860%0.603SS**  trans-47.2121.1-179.7-71.8-34.4000111.7Q685 T689Q685-D687 PolarHBondContact O-N 2.92Å; Q685-D687 VanDerWaalsContact O-N 3.11Å; D687-T689 PolarHBondContact O-N 2.9Å
688S30.6Very low55.2Low110 Ų110116.7 Ų116.777%0.76964%0.643SS**  trans-49117.115244.60000108.1L686 D690L686-S688 PolarHBondContact O-N 3.23Å; S688-D690 PolarHBondContact O-N 3.11Å; S688-D690 VanDerWaalsContact O-N 3.09Å
689T27.8Very low52.2Low130 Ų130120.2 Ų120.280%0.79866%0.664SS**  trans-45.6114.9167.543.60000110.4D687D687-T689 PolarHBondContact O-N 2.9Å
690D31Very low49.5Very low151 Ų151125.5 Ų125.581%0.80770%0.696SS**  trans-169.4118.3135.8-89.8-22.4000111.8S688S688-D690 PolarHBondContact O-N 3.11Å; S688-D690 VanDerWaalsContact O-N 3.09Å
691S32.7Very low46.9Very low103 Ų103131.9 Ų131.972%0.7272%0.717SS**  trans59.6104.5151.752.80000121.6
692S31.9Very low44.2Very low108 Ų108139.5 Ų139.576%0.75575%0.748SS**  45.3109129.563.30000120.1
693S36Very low41.7Very low128 Ų128143.1 Ų143.190%0.89576%0.758SS**  174.9152111.6430000110.3
694S32.7Very low38.9Very low89 Ų89147.9 Ų147.962%0.62278%0.779SS**  trans-81.2166.5-166.746.80000114
695D37.4Very low36.6Very low145 Ų145151.6 Ų151.678%0.77580%0.802SS**  trans80.2126.5160.5-45.8-47.2000113.2
696E38.9Very low34.6Very low192 Ų192149.2 Ų149.290%0.89780%0.8SS**  cis-154.5161.138.3-70.6-177.6128.600111.4
697R32.6Very low33.8Very low245 Ų245150.8 Ų150.893%0.92581%0.808SS**  trans-78.2136.2175.2-62.3172.4-179-172.4-1.1109.9
698E36.5Very low33.9Very low193 Ų193153.7 Ų153.790%0.90281%0.814SS**  trans-150.4137.7147.8-127173.9-173.700113.8
699D31Very low34.1Very low153 Ų153159.7 Ų159.782%0.81884%0.836SS**  trans-63.9136.4-175.1-136.1-17.2000111.2
700T36.8Very low34.4Very low132 Ų132161.2 Ų161.281%0.8184%0.838SS**  trans-140.1104.6161.7-1.50000112.4
701Q34Very low34.6Very low170 Ų170161.7 Ų161.779%0.79484%0.839SS**  trans-51.3141.9166.9-75.9167-20.900112.8K703Q701-K703 PolarHBondContact O-N 3.14Å
702K31.2Very low34.7Very low210 Ų210164.9 Ų164.991%0.91385%0.846SS**  trans-30113.4162.7-69.6176.1174.4-1780112.3
703K34.5Very low34.8Very low194 Ų194168.3 Ų168.384%0.84385%0.851SS**  trans-109.4113.3163.4-82.9-178.7176.8174.10109.2Q701Q701-K703 PolarHBondContact O-N 3.14Å
704Q31Very low34.8Very low175 Ų175170.8 Ų170.882%0.81885%0.848SS**  trans-55.3141.4157.1-85.2166.8-40.300109.3T706Q704-T706 PolarHBondContact O-N 2.85Å
705P36.9Very low34.9Very low130 Ų130176.3 Ų176.384%0.84486%0.863SS**  trans-68.3110.3175.427.9-30000108.6
706T32.8Very low34.7Very low126 Ų126178.5 Ų178.577%0.77387%0.87SS**  trans-84.1115165.9-44.80000106.9Q704 K708Q704-T706 PolarHBondContact O-N 2.85Å; T706-K708 PolarHBondContact O-N 3.09Å
707I38.5Very low34.4Very low145 Ų145177.5 Ų177.574%0.74487%0.868SS**  trans-60.4120.3170.4-63171000107.6
708K36.1Very low34.6Very low199 Ų199171.8 Ų171.887%0.86586%0.863SS**  trans-86123.7161.8-80.5-175.4176.2178.40107.6T706T706-K708 PolarHBondContact O-N 3.09Å
709L35.5Very low34.4Very low235 Ų235169.9 Ų169.9100%1.2386%0.859SS**  trans-39.20-179.7-71.5156000115.6

Retrieved 709 of 709 residues in 435.8 ms (Link to these results)

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