A0A077Z5Y3_TRITR Loading...

Persulfide dioxygenase ETHE1, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z5Y3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 241 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
1M97Very high97.8Very high60 Ų6044.5 Ų44.530%0.29623%0.23SC..  0152.30-60.1168.3-65.100107.2Y9 T10 L12 I23 I37M1-Y9 WeakPolarHBondContact O-CA 3.33Å; M1-T10 HydrophobicContact CE-CG2 3.7Å; M1-T10 PolarHBondContact N-O 3.39Å; M1-T10 PolarHBondContact O-N 3.36Å; M1-L12 HydrophobicContact CE-CB 3.71Å; M1-I23 HydrophobicContact CE-CD1 3.91Å; M1-I23 HydrophobicContact CE-CG1 4.42Å; M1-I37 HydrophobicContact CG-CD1 4.3Å; M1-I37 HydrophobicContact SD-CD1 3.54Å; M1-I37 VanDerWaalsContact SD-CD1 3.54Å
2F98Very high97.8Very high58 Ų5844.2 Ų44.225%0.25423%0.228SC..EExtended strand (participates in β ladder)trans-128.4138.9-172.9-172.6-109.8000111.6H4 S7 T8 Y9 R33F2-H4 AromaticContact CD1-CE1 3.64Å; F2-H4 AromaticContact CD1-CG 3.93Å; F2-H4 AromaticContact CD1-ND1 3.55Å; F2-H4 HydrophobicContact CE1-CB 4.43Å; F2-H4 AromaticContact CE1-CE1 3.98Å; F2-H4 AromaticContact CE1-CG 4Å; F2-H4 AromaticContact CE1-ND1 3.48Å; F2-H4 WeakPolarHBondContact CE1-ND1 3.15Å; F2-S7 VanDerWaalsContact CE2-C 3.43Å; F2-S7 WeakPolarHBondContact CE2-O 3.42Å; F2-T8 CarbonylContact C-O 3.54Å; F2-T8 WeakPolarHBondContact CA-O 3.46Å; F2-T8 WeakPolarHBondContact CD2-O 3.3Å; F2-Y9 HydrophobicContact CB-CD1 4.22Å; F2-Y9 HydrophobicContact CB-CE1 4.13Å; F2-Y9 AromaticContact CD2-CD1 3.53Å; F2-Y9 HydrophobicContact CD2-CD1 3.53Å; F2-Y9 AromaticContact CD2-CE1 3.32Å; F2-Y9 HydrophobicContact CD2-CE1 3.32Å; F2-Y9 HydrophobicContact CD2-CG 4.22Å; F2-Y9 AromaticContact CD2-CZ 3.91Å; F2-Y9 HydrophobicContact CE2-CD1 4.37Å; F2-Y9 HydrophobicContact CE2-CE1 4.01Å; F2-Y9 HydrophobicContact CG-CD1 4.34Å; F2-Y9 HydrophobicContact CG-CE1 4.06Å; F2-R33 PolarHBondContact O-NH1 3.12Å
3E97.9Very high97.9Very high12 Ų1242.3 Ų42.36%0.05622%0.219CC..EExtended strand (participates in β ladder)trans-110.1121.4172.2-161.4-68.7112.300108.9V5 S6 S7 T8 V27 M30E3-V5 VanDerWaalsContact CD-N 3.33Å; E3-V5 WeakPolarHBondContact OE1-CB 3.05Å; E3-V5 WeakPolarHBondContact OE1-CG2 3.11Å; E3-V5 PolarHBondContact OE1-N 3.17Å; E3-V5 PolarHBondContact OE2-N 3.38Å; E3-S6 WeakPolarHBondContact OE2-CB 3.4Å; E3-S6 PolarHBondContact OE2-N 2.81Å; E3-S6 PolarHBondContact OE2-OG 3.47Å; E3-S7 CarbonylContact O-C 3.35Å; E3-S7 WeakPolarHBondContact O-CA 3.23Å; E3-S7 PolarHBondContact O-N 3.23Å; E3-T8 PolarHBondContact N-O 2.8Å; E3-T8 PolarHBondContact O-N 3.44Å; E3-T8 VanDerWaalsContact O-N 3.15Å; E3-V27 HydrophobicContact CB-CB 4.36Å; E3-V27 HydrophobicContact CB-CG2 3.94Å; E3-V27 HydrophobicContact CG-CB 4.11Å; E3-V27 HydrophobicContact CG-CG1 3.92Å; E3-V27 HydrophobicContact CG-CG2 4.19Å; E3-M30 HydrophobicContact CB-CG 3.97Å; E3-M30 HydrophobicContact CG-CE 3.82Å; E3-M30 HydrophobicContact CG-CG 3.45Å; E3-M30 VanDerWaalsContact CG-CG 3.45Å; E3-M30 HydrophobicContact CG-SD 3.98Å
4H96.8Very high97.9Very high153 Ų15341.7 Ų41.771%0.70823%0.228SC*.THydrogen-bonded Turntrans-79.5-26.1-166.2-69.9-83.6000114.7F2F2-H4 AromaticContact CD1-CE1 3.64Å; F2-H4 AromaticContact CD1-CG 3.93Å; F2-H4 AromaticContact CD1-ND1 3.55Å; F2-H4 HydrophobicContact CE1-CB 4.43Å; F2-H4 AromaticContact CE1-CE1 3.98Å; F2-H4 AromaticContact CE1-CG 4Å; F2-H4 AromaticContact CE1-ND1 3.48Å; F2-H4 WeakPolarHBondContact CE1-ND1 3.15Å
5V96.3Very high98Very high132 Ų13239 Ų3980%0.821%0.213SC*.THydrogen-bonded Turntrans-74.7-45.2-175.91780000111.1E3E3-V5 VanDerWaalsContact CD-N 3.33Å; E3-V5 WeakPolarHBondContact OE1-CB 3.05Å; E3-V5 WeakPolarHBondContact OE1-CG2 3.11Å; E3-V5 PolarHBondContact OE1-N 3.17Å; E3-V5 PolarHBondContact OE2-N 3.38Å
6S96.6Very high97.9Very high13 Ų1341.2 Ų41.29%0.09124%0.238CC..THydrogen-bonded Turntrans-91.5-14.5178.156.50000113.4E3 T8 D56E3-S6 WeakPolarHBondContact OE2-CB 3.4Å; E3-S6 PolarHBondContact OE2-N 2.81Å; E3-S6 PolarHBondContact OE2-OG 3.47Å; S6-T8 VanDerWaalsContact C-N 3.3Å; S6-T8 WeakPolarHBondContact CB-OG1 3.3Å; S6-T8 WeakPolarHBondContact OG-CB 3.47Å; S6-T8 PolarHBondContact OG-OG1 3.2Å; S6-D56 WeakPolarHBondContact CB-OD2 3.26Å
7S97.7Very high97.9Very high26 Ų2646.4 Ų46.418%0.18227%0.265CS..THydrogen-bonded Turntrans63.733.9-172.1-48.70000113.4F2 E3 H168 D169F2-S7 VanDerWaalsContact CE2-C 3.43Å; F2-S7 WeakPolarHBondContact CE2-O 3.42Å; E3-S7 CarbonylContact O-C 3.35Å; E3-S7 WeakPolarHBondContact O-CA 3.23Å; E3-S7 PolarHBondContact O-N 3.23Å; S7-H168 WeakPolarHBondContact O-CA 3.2Å; S7-H168 PolarHBondContact O-CD2 2.89Å; S7-D169 PolarHBondContact O-N 3.42Å
8T98.6Very high97.9Very high0 Ų046.7 Ų46.70%027%0.268CS..EExtended strand (participates in β ladder)trans-89.4135.9-175-61.80000111.8F2 E3 S6 V27 D56 H57 G167 H168F2-T8 CarbonylContact C-O 3.54Å; F2-T8 WeakPolarHBondContact CA-O 3.46Å; F2-T8 WeakPolarHBondContact CD2-O 3.3Å; E3-T8 PolarHBondContact N-O 2.8Å; E3-T8 PolarHBondContact O-N 3.44Å; E3-T8 VanDerWaalsContact O-N 3.15Å; S6-T8 VanDerWaalsContact C-N 3.3Å; S6-T8 WeakPolarHBondContact CB-OG1 3.3Å; S6-T8 WeakPolarHBondContact OG-CB 3.47Å; S6-T8 PolarHBondContact OG-OG1 3.2Å; T8-V27 HydrophobicContact CG2-CG2 3.67Å; T8-D56 PolarHBondContact OG1-OD2 2.78Å; T8-H57 PolarHBondContact OG1-ND1 2.82Å; T8-G167 WeakPolarHBondContact CA-O 3.28Å; T8-H168 PolarHBondContact OG1-CD2 3.3Å; T8-H168 PolarHBondContact OG1-NE2 3.44Å
9Y98.8Very high97.9Very high17 Ų1748.9 Ų48.97%0.06727%0.274CS..EExtended strand (participates in β ladder)trans-91.1125.6164.1-73-57.3000111.3M1 F2 Y11 P166 G167 D169 L173 L174M1-Y9 WeakPolarHBondContact O-CA 3.33Å; F2-Y9 HydrophobicContact CB-CD1 4.22Å; F2-Y9 HydrophobicContact CB-CE1 4.13Å; F2-Y9 AromaticContact CD2-CD1 3.53Å; F2-Y9 HydrophobicContact CD2-CD1 3.53Å; F2-Y9 AromaticContact CD2-CE1 3.32Å; F2-Y9 HydrophobicContact CD2-CE1 3.32Å; F2-Y9 HydrophobicContact CD2-CG 4.22Å; F2-Y9 AromaticContact CD2-CZ 3.91Å; F2-Y9 HydrophobicContact CE2-CD1 4.37Å; F2-Y9 HydrophobicContact CE2-CE1 4.01Å; F2-Y9 HydrophobicContact CG-CD1 4.34Å; F2-Y9 HydrophobicContact CG-CE1 4.06Å; Y9-Y11 VanDerWaalsContact CB-CZ 3.42Å; Y9-Y11 WeakPolarHBondContact CB-OH 3.42Å; Y9-P166 HydrophobicContact CD2-CG 4.24Å; Y9-P166 HydrophobicContact CE2-CG 4.47Å; Y9-G167 PolarHBondContact N-O 2.83Å; Y9-D169 HydrophobicContact CE2-CB 3.63Å; Y9-L173 WeakPolarHBondContact CE2-O 3.29Å; Y9-L173 PolarHBondContact OH-O 3.1Å; Y9-L174 HydrophobicContact CD1-CD1 4.02Å; Y9-L174 HydrophobicContact CE1-CD1 3.58Å; Y9-L174 HydrophobicContact CE2-CD1 4.47Å
10T98.9Very high98Very high0 Ų048.6 Ų48.60%027%0.27CS..  trans-105.2129.4167.9-54.20000109.1M1 I23 I24 D25 P26M1-T10 HydrophobicContact CE-CG2 3.7Å; M1-T10 PolarHBondContact N-O 3.39Å; M1-T10 PolarHBondContact O-N 3.36Å; T10-I23 HydrophobicContact CG2-CD1 3.59Å; T10-I23 HydrophobicContact CG2-CG1 3.53Å; T10-I24 WeakPolarHBondContact CA-O 3.43Å; T10-I24 WeakPolarHBondContact CG2-O 3.38Å; T10-D25 WeakPolarHBondContact CB-O 3.22Å; T10-D25 PolarHBondContact OG1-O 3.38Å; T10-P26 HydrophobicContact CG2-CB 4.18Å
11Y98.8Very high98Very high19 Ų1946.3 Ų46.38%0.07526%0.258CS..EExtended strand (participates in β ladder)trans-111.3119.4-176.6-59.2-77.6000111.4Y9 I23 I24 F124 F165 P166Y9-Y11 VanDerWaalsContact CB-CZ 3.42Å; Y9-Y11 WeakPolarHBondContact CB-OH 3.42Å; Y11-I23 CarbonylContact O-C 3.59Å; Y11-I23 VanDerWaalsContact O-CA 3.25Å; Y11-I23 WeakPolarHBondContact O-CA 3.46Å; Y11-I24 PolarHBondContact N-O 2.75Å; Y11-I24 PolarHBondContact O-N 2.77Å; Y11-F124 HydrophobicContact CD1-CD1 4.02Å; Y11-F124 AromaticContact CD1-CE1 3.69Å; Y11-F124 HydrophobicContact CD1-CE1 3.69Å; Y11-F124 AromaticContact CD2-CD1 3.47Å; Y11-F124 HydrophobicContact CD2-CD1 3.47Å; Y11-F124 VanDerWaalsContact CD2-CD1 3.47Å; Y11-F124 AromaticContact CD2-CE1 3.97Å; Y11-F124 HydrophobicContact CD2-CE1 3.97Å; Y11-F124 HydrophobicContact CE1-CD1 4.46Å; Y11-F124 HydrophobicContact CE1-CE1 4.36Å; Y11-F124 AromaticContact CE2-CD1 3.94Å; Y11-F124 HydrophobicContact CE2-CD1 3.94Å; Y11-F124 AromaticContact CG-CD1 3.5Å; Y11-F124 HydrophobicContact CG-CD1 3.5Å; Y11-F124 VanDerWaalsContact CG-CD1 3.5Å; Y11-F124 AromaticContact CG-CE1 3.46Å; Y11-F124 HydrophobicContact CG-CE1 3.46Å; Y11-F124 VanDerWaalsContact CG-CE1 3.46Å; Y11-F165 HydrophobicContact CD1-CB 4.48Å; Y11-F165 HydrophobicContact CD1-CD1 4.33Å; Y11-F165 HydrophobicContact CE1-CB 3.79Å; Y11-F165 AromaticContact CE1-CD1 3.54Å; Y11-F165 HydrophobicContact CE1-CD1 3.54Å; Y11-F165 HydrophobicContact CE1-CE1 4.47Å; Y11-F165 AromaticContact CE1-CG 3.97Å; Y11-F165 HydrophobicContact CE1-CG 3.97Å; Y11-F165 HydrophobicContact CE2-CB 4.08Å; Y11-F165 WeakPolarHBondContact OH-CB 3.48Å; Y11-P166 VanDerWaalsContact CE2-O 3.32Å; Y11-P166 WeakPolarHBondContact CE2-O 3.31Å; Y11-P166 PolarHBondContact OH-O 2.81Å
12L98.7Very high98.1Very high40 Ų4043.4 Ų43.421%0.20924%0.243CC..EExtended strand (participates in β ladder)trans-101.7118171.5176.663.9000109M1 A21 I23 I37 I38 L41 L43 L45M1-L12 HydrophobicContact CE-CB 3.71Å; L12-A21 HydrophobicContact CD1-CB 4.14Å; L12-I23 HydrophobicContact CD1-CB 4.33Å; L12-I37 HydrophobicContact CD2-CG2 3.81Å; L12-I38 HydrophobicContact CD1-CD1 4.37Å; L12-I38 HydrophobicContact CD1-CG1 3.94Å; L12-I38 HydrophobicContact CD2-CG1 3.91Å; L12-L41 HydrophobicContact CD2-CD1 4.36Å; L12-L43 HydrophobicContact CD1-CD1 4.28Å; L12-L43 HydrophobicContact CD2-CD1 3.89Å; L12-L43 HydrophobicContact CG-CD1 4.16Å; L12-L45 HydrophobicContact CD1-CD1 4.28Å
13L98.6Very high98.1Very high20 Ų2040.7 Ų40.711%0.10523%0.231CC..EExtended strand (participates in β ladder)trans-110124.7175.9-68.872.1000108.3A21 L22 I24 F95 I100 F124L13-A21 CarbonylContact O-C 3.57Å; L13-A21 WeakPolarHBondContact O-CA 3.26Å; L13-A21 WeakPolarHBondContact O-CB 3.23Å; L13-L22 HydrophobicContact CB-CD1 4.31Å; L13-L22 HydrophobicContact CB-CG 4.22Å; L13-L22 HydrophobicContact CD1-CD1 3.97Å; L13-L22 HydrophobicContact CD2-CD1 4.47Å; L13-L22 HydrophobicContact CG-CD1 4.49Å; L13-L22 PolarHBondContact N-O 3.2Å; L13-L22 PolarHBondContact O-N 3.35Å; L13-I24 HydrophobicContact CD1-CD1 4.24Å; L13-F95 HydrophobicContact CB-CE2 3.75Å; L13-F95 HydrophobicContact CB-CZ 3.98Å; L13-F95 HydrophobicContact CD2-CZ 3.92Å; L13-I100 HydrophobicContact CD2-CG2 4.34Å; L13-F124 HydrophobicContact CD1-CE1 4.07Å; L13-F124 HydrophobicContact CD1-CE2 4.08Å; L13-F124 HydrophobicContact CD1-CZ 3.59Å; L13-F124 HydrophobicContact CD2-CE2 3.64Å; L13-F124 HydrophobicContact CD2-CZ 3.72Å; L13-F124 HydrophobicContact CG-CE2 4.36Å; L13-F124 HydrophobicContact CG-CZ 3.97Å
14G98.2Very high98.2Very high34 Ų3440.1 Ų40.135%0.35123%0.229SC..EExtended strand (participates in β ladder)trans-129.2133.4-17900000112.3A16G14-A16 PolarHBondContact O-N 3.15Å
15C98.4Very high98.3Very high1 Ų132.9 Ų32.91%0.00720%0.195CC..  trans-77.1112.8170.6-173.70000109.9N17 T18 K19 E20 N97 Y98C15-N17 PolarHBondContact O-N 2.78Å; C15-N17 VanDerWaalsContact O-N 3.17Å; C15-T18 WeakPolarHBondContact CB-OG1 3.44Å; C15-T18 PolarHBondContact O-N 2.74Å; C15-K19 WeakPolarHBondContact O-CA 3.25Å; C15-K19 PolarHBondContact O-N 2.93Å; C15-E20 PolarHBondContact N-O 3.48Å; C15-N97 PolarHBondContact SG-N 3.38Å; C15-N97 VanDerWaalsContact SG-N 3.39Å; C15-Y98 HydrophobicContact CB-CD2 3.8Å; C15-Y98 HydrophobicContact CB-CE2 4.13Å
16A96.9Very high98.4Very high74 Ų7426.6 Ų26.661%0.61216%0.157SC*.THydrogen-bonded Turntrans-57.5-34-177.900000113.4G14 K19G14-A16 PolarHBondContact O-N 3.15Å; A16-K19 WeakPolarHBondContact O-CE 3.45Å
17N97.4Very high98.5Very high130 Ų13026 Ų2670%0.69515%0.153SC*.THydrogen-bonded Turntrans-76.2-50-177.2-65.6-27.7000113C15 N97C15-N17 PolarHBondContact O-N 2.78Å; C15-N17 VanDerWaalsContact O-N 3.17Å; N17-N97 PolarHBondContact ND2-ND2 3.45Å
18T98.2Very high98.5Very high52 Ų5226.5 Ų26.532%0.31915%0.153SC..THydrogen-bonded Turntrans-95.2-12.8-174.268.20000113.2C15 E20 G96C15-T18 WeakPolarHBondContact CB-OG1 3.44Å; C15-T18 PolarHBondContact O-N 2.74Å; T18-E20 PolarHBondContact O-N 3.21Å; T18-E20 VanDerWaalsContact O-N 3.15Å; T18-E20 PolarHBondContact OG1-N 2.98Å; T18-G96 WeakPolarHBondContact OG1-CA 3.21Å
19K98.5Very high98.5Very high88 Ų8831.8 Ų31.838%0.38318%0.178SC..  trans63.31.7-169.7-55.4-61.3-177.21740114.9C15 A16 G42 L43 K44C15-K19 WeakPolarHBondContact O-CA 3.25Å; C15-K19 PolarHBondContact O-N 2.93Å; A16-K19 WeakPolarHBondContact O-CE 3.45Å; K19-G42 VanDerWaalsContact CB-O 3.3Å; K19-G42 WeakPolarHBondContact CB-O 3.28Å; K19-L43 HydrophobicContact CB-CD2 4.49Å; K19-L43 HydrophobicContact CD-CD2 4.35Å; K19-L43 CarbonylContact O-C 3.58Å; K19-L43 VanDerWaalsContact O-CA 3.3Å; K19-L43 WeakPolarHBondContact O-CA 3.41Å; K19-L43 WeakPolarHBondContact O-CD2 3.28Å; K19-K44 PolarHBondContact O-N 2.84Å
20E98.7Very high98.5Very high43 Ų4333.1 Ų33.120%0.20119%0.185CC..EExtended strand (participates in β ladder)trans-67138.6174.9-66.3-166154.500110.8C15 T18 K44 R46 F95 G96C15-E20 PolarHBondContact N-O 3.48Å; T18-E20 PolarHBondContact O-N 3.21Å; T18-E20 VanDerWaalsContact O-N 3.15Å; T18-E20 PolarHBondContact OG1-N 2.98Å; E20-K44 WeakPolarHBondContact CA-O 3.36Å; E20-R46 HydrophobicContact CB-CG 3.87Å; E20-R46 HydrophobicContact CG-CG 4.01Å; E20-R46 IonicContact OE1-CZ 2.79Å; E20-R46 IonicContact OE1-NE 3.02Å; E20-R46 IonicContact OE1-NH1 3.54Å; E20-R46 PolarHBondContact OE1-NH1 3.35Å; E20-F95 HydrophobicContact CB-CB 4.26Å; E20-G96 PolarHBondContact OE2-N 2.81Å
21A98.7Very high98.4Very high0 Ų033.4 Ų33.40%019%0.187CC..EExtended strand (participates in β ladder)trans-138.7162.4-174.900000112.6L12 L13 L43 K44 L45 R46L12-A21 HydrophobicContact CD1-CB 4.14Å; L13-A21 CarbonylContact O-C 3.57Å; L13-A21 WeakPolarHBondContact O-CA 3.26Å; L13-A21 WeakPolarHBondContact O-CB 3.23Å; A21-L43 HydrophobicContact CB-CB 4.01Å; A21-L43 HydrophobicContact CB-CD1 4.07Å; A21-L43 HydrophobicContact CB-CD2 4.4Å; A21-L43 HydrophobicContact CB-CG 4.38Å; A21-K44 PolarHBondContact N-O 2.99Å; A21-L45 HydrophobicContact CB-CD1 4.41Å; A21-R46 WeakPolarHBondContact O-CB 3.43Å; A21-R46 PolarHBondContact O-N 2.84Å
22L98.7Very high98.4Very high0 Ų038.9 Ų38.90%022%0.218CC..EExtended strand (participates in β ladder)trans-133.4155.8163.968.187000110.8L13 I24 Y47 F95 I100L13-L22 HydrophobicContact CB-CD1 4.31Å; L13-L22 HydrophobicContact CB-CG 4.22Å; L13-L22 HydrophobicContact CD1-CD1 3.97Å; L13-L22 HydrophobicContact CD2-CD1 4.47Å; L13-L22 HydrophobicContact CG-CD1 4.49Å; L13-L22 PolarHBondContact N-O 3.2Å; L13-L22 PolarHBondContact O-N 3.35Å; L22-I24 HydrophobicContact CD1-CD1 3.74Å; L22-I24 HydrophobicContact CD1-CG1 3.55Å; L22-Y47 CarbonylContact C-O 3.52Å; L22-Y47 WeakPolarHBondContact CA-O 3.49Å; L22-Y47 HydrophobicContact CB-CD2 4.29Å; L22-F95 HydrophobicContact CD2-CD1 3.33Å; L22-F95 HydrophobicContact CD2-CD2 4.42Å; L22-F95 HydrophobicContact CD2-CE1 3.32Å; L22-F95 HydrophobicContact CD2-CE2 4.4Å; L22-F95 HydrophobicContact CD2-CG 3.91Å; L22-F95 HydrophobicContact CD2-CZ 3.88Å; L22-F95 HydrophobicContact CG-CD1 4.26Å; L22-F95 HydrophobicContact CG-CE1 4.23Å; L22-F95 HydrophobicContact CG-CG 4.42Å; L22-F95 HydrophobicContact CG-CZ 4.36Å; L22-I100 HydrophobicContact CD1-CD1 4.16Å; L22-I100 HydrophobicContact CD2-CB 4.47Å; L22-I100 HydrophobicContact CD2-CD1 3.55Å; L22-I100 HydrophobicContact CD2-CG1 3.68Å; L22-I100 HydrophobicContact CD2-CG2 4.01Å
23I98.9Very high98.4Very high0 Ų040.1 Ų40.10%022%0.22CC..EExtended strand (participates in β ladder)trans-123.8134.9174.4-165.6169.5000110.5M1 T10 Y11 L12 P26 D34 L45 Y47 A48 G49 L64M1-I23 HydrophobicContact CE-CD1 3.91Å; M1-I23 HydrophobicContact CE-CG1 4.42Å; T10-I23 HydrophobicContact CG2-CD1 3.59Å; T10-I23 HydrophobicContact CG2-CG1 3.53Å; Y11-I23 CarbonylContact O-C 3.59Å; Y11-I23 VanDerWaalsContact O-CA 3.25Å; Y11-I23 WeakPolarHBondContact O-CA 3.46Å; L12-I23 HydrophobicContact CD1-CB 4.33Å; I23-P26 HydrophobicContact CD1-CB 4.19Å; I23-P26 HydrophobicContact CG1-CB 4.42Å; I23-P26 HydrophobicContact CG2-CG 4.45Å; I23-D34 HydrophobicContact CD1-CB 3.95Å; I23-L45 HydrophobicContact CB-CD1 4.03Å; I23-L45 HydrophobicContact CG2-CD1 3.89Å; I23-L45 HydrophobicContact CG2-CD2 4.05Å; I23-Y47 PolarHBondContact N-O 3.41Å; I23-A48 HydrophobicContact CG2-CB 3.48Å; I23-A48 VanDerWaalsContact CG2-CB 3.48Å; I23-A48 WeakPolarHBondContact O-CA 3.42Å; I23-G49 PolarHBondContact O-N 2.9Å; I23-L64 HydrophobicContact CD1-CD1 4.47Å; I23-L64 HydrophobicContact CG2-CD1 3.88Å
24I98.9Very high98.4Very high0 Ų039.1 Ų39.10%022%0.215CC..EExtended strand (participates in β ladder)trans-114.5134.2-179.4-62.4165.5000108.8T10 Y11 L13 L22 G49 T51 F74 F115 F124T10-I24 WeakPolarHBondContact CA-O 3.43Å; T10-I24 WeakPolarHBondContact CG2-O 3.38Å; Y11-I24 PolarHBondContact N-O 2.75Å; Y11-I24 PolarHBondContact O-N 2.77Å; L13-I24 HydrophobicContact CD1-CD1 4.24Å; L22-I24 HydrophobicContact CD1-CD1 3.74Å; L22-I24 HydrophobicContact CD1-CG1 3.55Å; I24-G49 CarbonylContact C-O 3.56Å; I24-G49 WeakPolarHBondContact CA-O 3.32Å; I24-T51 HydrophobicContact CG2-CG2 3.83Å; I24-F74 HydrophobicContact CG1-CZ 4.28Å; I24-F115 HydrophobicContact CD1-CB 4.29Å; I24-F115 HydrophobicContact CD1-CD2 4.1Å; I24-F115 HydrophobicContact CG1-CD2 4.37Å; I24-F115 HydrophobicContact CG2-CD2 4.25Å; I24-F124 HydrophobicContact CD1-CB 4.06Å; I24-F124 HydrophobicContact CD1-CD1 4.19Å; I24-F124 HydrophobicContact CD1-CD2 3.58Å; I24-F124 HydrophobicContact CD1-CE2 4.12Å; I24-F124 HydrophobicContact CD1-CG 3.64Å
25D98.9Very high98.4Very high1 Ų138.2 Ų38.21%0.00520%0.202CC..SBendtrans52.853.4178.3-61.3-25.2000113.3T10 G49 N50 T51 H54T10-D25 WeakPolarHBondContact CB-O 3.22Å; T10-D25 PolarHBondContact OG1-O 3.38Å; D25-G49 PolarHBondContact N-O 3.01Å; D25-N50 WeakPolarHBondContact OD1-CA 3.19Å; D25-T51 PolarHBondContact OD1-N 2.74Å; D25-T51 PolarHBondContact OD1-OG1 3.07Å; D25-T51 WeakPolarHBondContact OD2-CG2 3.41Å; D25-T51 PolarHBondContact OD2-OG1 2.92Å; D25-H54 IonicContact OD1-CE1 3.81Å; D25-H54 PolarHBondContact OD1-CE1 2.92Å; D25-H54 VanDerWaalsContact OD1-CE1 3.25Å; D25-H54 IonicContact OD1-NE2 2.68Å; D25-H54 PolarHBondContact OD1-NE2 3.33Å; D25-H54 IonicContact OD2-CE1 3.85Å
26P98.8Very high98.4Very high0 Ų040.4 Ų40.40%022%0.218CC..  trans-69.7140.617431.8-34.5000110.9T10 I23 T59 G60 T61 L64T10-P26 HydrophobicContact CG2-CB 4.18Å; I23-P26 HydrophobicContact CD1-CB 4.19Å; I23-P26 HydrophobicContact CG1-CB 4.42Å; I23-P26 HydrophobicContact CG2-CG 4.45Å; P26-T59 CarbonylContact O-C 3.56Å; P26-T59 WeakPolarHBondContact O-CA 3.06Å; P26-G60 PolarHBondContact O-N 3.07Å; P26-T61 HydrophobicContact CG-CG2 3.84Å; P26-L64 HydrophobicContact CB-CD1 3.61Å; P26-L64 HydrophobicContact CG-CD1 3.8Å
27V98.7Very high98.5Very high0 Ų039.1 Ų39.10%020%0.2CC..BIsolated β-bridgetrans-101.2135.5178.2-174.50000109.9E3 T8 E29 M30 V31 H57E3-V27 HydrophobicContact CB-CB 4.36Å; E3-V27 HydrophobicContact CB-CG2 3.94Å; E3-V27 HydrophobicContact CG-CB 4.11Å; E3-V27 HydrophobicContact CG-CG1 3.92Å; E3-V27 HydrophobicContact CG-CG2 4.19Å; T8-V27 HydrophobicContact CG2-CG2 3.67Å; V27-E29 VanDerWaalsContact C-N 3.29Å; V27-E29 VanDerWaalsContact CG1-OE2 3.28Å; V27-E29 WeakPolarHBondContact CG1-OE2 3.23Å; V27-E29 PolarHBondContact O-N 3.41Å; V27-M30 HydrophobicContact CB-CB 4.4Å; V27-M30 HydrophobicContact CB-CG 4.19Å; V27-M30 WeakPolarHBondContact O-CA 3.41Å; V27-M30 PolarHBondContact O-N 3.47Å; V27-V31 PolarHBondContact O-N 2.97Å; V27-H57 HydrophobicContact CG1-CB 3.97Å
28I98Very high98.6Very high37 Ų3733.1 Ų33.119%0.1917%0.168CC..G310 helixtrans-57.8-39.5-173-163.7170.5000112.8M30 V31 V58 E63 V223I28-M30 PolarHBondContact O-N 3.49Å; I28-M30 VanDerWaalsContact O-N 3.16Å; I28-V31 VanDerWaalsContact O-CG2 3.29Å; I28-V31 WeakPolarHBondContact O-CG2 3.38Å; I28-V31 PolarHBondContact O-N 3.02Å; I28-V58 HydrophobicContact CB-CB 4.34Å; I28-V58 HydrophobicContact CB-CG1 4.26Å; I28-V58 WeakPolarHBondContact CB-O 3.31Å; I28-V58 HydrophobicContact CD1-CG1 4.07Å; I28-V58 HydrophobicContact CG2-CB 3.76Å; I28-V58 HydrophobicContact CG2-CG1 4.11Å; I28-V58 PolarHBondContact N-O 2.95Å; I28-E63 HydrophobicContact CD1-CG 3.89Å; I28-E63 HydrophobicContact CG1-CG 3.84Å; I28-V223 HydrophobicContact CD1-CG2 3.91Å
29E98Very high98.5Very high111 Ų11137.3 Ų37.352%0.51918%0.184SC..G310 helixtrans-66.9-14.8177.8-67.580.8-176.200113.3V27V27-E29 VanDerWaalsContact C-N 3.29Å; V27-E29 VanDerWaalsContact CG1-OE2 3.28Å; V27-E29 WeakPolarHBondContact CG1-OE2 3.23Å; V27-E29 PolarHBondContact O-N 3.41Å
30M98.6Very high98.5Very high45 Ų4540.4 Ų40.422%0.22220%0.199CC..G310 helixtrans-106.63.5-176.2-60.3-65.9120.900113.5E3 V27 I28 D32 R33 D34E3-M30 HydrophobicContact CB-CG 3.97Å; E3-M30 HydrophobicContact CG-CE 3.82Å; E3-M30 HydrophobicContact CG-CG 3.45Å; E3-M30 VanDerWaalsContact CG-CG 3.45Å; E3-M30 HydrophobicContact CG-SD 3.98Å; V27-M30 HydrophobicContact CB-CB 4.4Å; V27-M30 HydrophobicContact CB-CG 4.19Å; V27-M30 WeakPolarHBondContact O-CA 3.41Å; V27-M30 PolarHBondContact O-N 3.47Å; I28-M30 PolarHBondContact O-N 3.49Å; I28-M30 VanDerWaalsContact O-N 3.16Å; M30-D32 VanDerWaalsContact C-N 3.33Å; M30-D32 PolarHBondContact O-N 3.12Å; M30-R33 WeakPolarHBondContact O-CB 3.48Å; M30-R33 PolarHBondContact O-N 3.25Å; M30-R33 VanDerWaalsContact O-N 3.1Å; M30-D34 VanDerWaalsContact O-CG 3.3Å; M30-D34 PolarHBondContact O-N 3.44Å
31V98.5Very high98.5Very high7 Ų742.9 Ų42.94%0.04221%0.214CC..Hα-helixtrans-56.5-44.3-175.7169.90000112.1V27 I28 R33 D34 V35 E63 L64 L67V27-V31 PolarHBondContact O-N 2.97Å; I28-V31 VanDerWaalsContact O-CG2 3.29Å; I28-V31 WeakPolarHBondContact O-CG2 3.38Å; I28-V31 PolarHBondContact O-N 3.02Å; V31-R33 VanDerWaalsContact C-N 3.32Å; V31-R33 PolarHBondContact O-N 3.27Å; V31-D34 PolarHBondContact O-N 2.91Å; V31-D34 VanDerWaalsContact O-N 3.14Å; V31-V35 HydrophobicContact CG1-CG2 4.2Å; V31-V35 WeakPolarHBondContact O-CG2 3.28Å; V31-V35 PolarHBondContact O-N 3.49Å; V31-E63 HydrophobicContact CB-CB 4.5Å; V31-E63 HydrophobicContact CG1-CB 4.11Å; V31-E63 HydrophobicContact CG2-CB 3.94Å; V31-L64 HydrophobicContact CG1-CD2 4.08Å; V31-L64 HydrophobicContact CG1-CG 4.22Å; V31-L64 HydrophobicContact CG2-CG 4.34Å; V31-L67 HydrophobicContact CG1-CD1 3.74Å
32D98.3Very high98.5Very high134 Ų13445 Ų4572%0.71724%0.236SC*.Hα-helixtrans-61.5-40.2178.9-72.1-20000112.3M30 S36M30-D32 VanDerWaalsContact C-N 3.33Å; M30-D32 PolarHBondContact O-N 3.12Å; D32-S36 VanDerWaalsContact O-CB 3.28Å; D32-S36 WeakPolarHBondContact O-CB 3.3Å; D32-S36 PolarHBondContact O-N 2.93Å
33R98.6Very high98.4Very high65 Ų6546.2 Ų46.225%0.24524%0.242CC..Hα-helixtrans-61.2-48.9173.8176.8-157.971.1-166-2.3110.1F2 M30 V31 S36 I37F2-R33 PolarHBondContact O-NH1 3.12Å; M30-R33 WeakPolarHBondContact O-CB 3.48Å; M30-R33 PolarHBondContact O-N 3.25Å; M30-R33 VanDerWaalsContact O-N 3.1Å; V31-R33 VanDerWaalsContact C-N 3.32Å; V31-R33 PolarHBondContact O-N 3.27Å; R33-S36 WeakPolarHBondContact O-CB 3.5Å; R33-S36 PolarHBondContact O-N 3.31Å; R33-I37 HydrophobicContact CG-CD1 3.93Å; R33-I37 WeakPolarHBondContact O-CG1 3.33Å; R33-I37 PolarHBondContact O-N 3.39Å
34D98.7Very high98.4Very high0 Ų053 Ų530%027%0.271CS..Hα-helixtrans-65.5-44.5-174.2-66-10.4000111.1I23 M30 V31 S36 I37 I38I23-D34 HydrophobicContact CD1-CB 3.95Å; M30-D34 VanDerWaalsContact O-CG 3.3Å; M30-D34 PolarHBondContact O-N 3.44Å; V31-D34 PolarHBondContact O-N 2.91Å; V31-D34 VanDerWaalsContact O-N 3.14Å; D34-S36 PolarHBondContact O-N 3.47Å; D34-I37 PolarHBondContact O-N 2.89Å; D34-I38 WeakPolarHBondContact O-CB 3.29Å; D34-I38 WeakPolarHBondContact O-CD1 3.39Å; D34-I38 VanDerWaalsContact O-CG1 3.23Å; D34-I38 WeakPolarHBondContact O-CG1 3.46Å; D34-I38 PolarHBondContact O-N 2.81Å
35V98.5Very high98.4Very high14 Ų1453.2 Ų53.29%0.08527%0.273CS..Hα-helixtrans-60.9-44.6174.61720000111.2V31 I37 I38 Q39 L64 L67 I68V31-V35 HydrophobicContact CG1-CG2 4.2Å; V31-V35 WeakPolarHBondContact O-CG2 3.28Å; V31-V35 PolarHBondContact O-N 3.49Å; V35-I37 VanDerWaalsContact C-N 3.35Å; V35-I37 PolarHBondContact O-N 2.88Å; V35-I38 PolarHBondContact O-N 3.28Å; V35-Q39 HydrophobicContact CG1-CG 4.32Å; V35-Q39 WeakPolarHBondContact O-CB 3.18Å; V35-Q39 VanDerWaalsContact O-CG 3.31Å; V35-Q39 WeakPolarHBondContact O-CG 3.4Å; V35-Q39 PolarHBondContact O-N 2.95Å; V35-L64 HydrophobicContact CG2-CD2 3.66Å; V35-L67 HydrophobicContact CG2-CB 4.43Å; V35-L67 HydrophobicContact CG2-CD1 3.89Å; V35-I68 HydrophobicContact CG2-CD1 4.47Å
36S98.5Very high98.4Very high48 Ų4857.7 Ų57.734%0.33629%0.29SS..Hα-helixtrans-58.9-45.4177.6-177.20000111.7D32 R33 D34 Q39 Q40D32-S36 VanDerWaalsContact O-CB 3.28Å; D32-S36 WeakPolarHBondContact O-CB 3.3Å; D32-S36 PolarHBondContact O-N 2.93Å; R33-S36 WeakPolarHBondContact O-CB 3.5Å; R33-S36 PolarHBondContact O-N 3.31Å; D34-S36 PolarHBondContact O-N 3.47Å; S36-Q39 PolarHBondContact O-N 3.01Å; S36-Q40 WeakPolarHBondContact O-CB 3.47Å; S36-Q40 WeakPolarHBondContact O-CG 3.31Å; S36-Q40 PolarHBondContact O-N 3.31Å; S36-Q40 PolarHBondContact OG-NE2 3.43Å
37I98.6Very high98.4Very high47 Ų4758.4 Ų58.424%0.24129%0.292CS..Hα-helixtrans-64.3-44.9177.4-68.4168000111.1M1 L12 R33 D34 V35 Q39 Q40 L41M1-I37 HydrophobicContact CG-CD1 4.3Å; M1-I37 HydrophobicContact SD-CD1 3.54Å; M1-I37 VanDerWaalsContact SD-CD1 3.54Å; L12-I37 HydrophobicContact CD2-CG2 3.81Å; R33-I37 HydrophobicContact CG-CD1 3.93Å; R33-I37 WeakPolarHBondContact O-CG1 3.33Å; R33-I37 PolarHBondContact O-N 3.39Å; D34-I37 PolarHBondContact O-N 2.89Å; V35-I37 VanDerWaalsContact C-N 3.35Å; V35-I37 PolarHBondContact O-N 2.88Å; I37-Q39 VanDerWaalsContact C-N 3.31Å; I37-Q39 PolarHBondContact O-N 2.87Å; I37-Q40 PolarHBondContact O-N 3.13Å; I37-L41 HydrophobicContact CG2-CD1 3.77Å; I37-L41 HydrophobicContact CG2-CG 4.38Å; I37-L41 WeakPolarHBondContact O-CB 3.43Å; I37-L41 WeakPolarHBondContact O-CG 3.4Å; I37-L41 PolarHBondContact O-N 3.33Å
38I98.5Very high98.4Very high4 Ų458.4 Ų58.42%0.02129%0.292CS..Hα-helixtrans-57.1-46.6177.4-72.7163.1000110.5L12 D34 V35 G42 L43 L45 I68L12-I38 HydrophobicContact CD1-CD1 4.37Å; L12-I38 HydrophobicContact CD1-CG1 3.94Å; L12-I38 HydrophobicContact CD2-CG1 3.91Å; D34-I38 WeakPolarHBondContact O-CB 3.29Å; D34-I38 WeakPolarHBondContact O-CD1 3.39Å; D34-I38 VanDerWaalsContact O-CG1 3.23Å; D34-I38 WeakPolarHBondContact O-CG1 3.46Å; D34-I38 PolarHBondContact O-N 2.81Å; V35-I38 PolarHBondContact O-N 3.28Å; I38-G42 PolarHBondContact O-N 2.87Å; I38-L43 HydrophobicContact CG2-CB 4.13Å; I38-L43 PolarHBondContact O-N 2.84Å; I38-L45 HydrophobicContact CD1-CB 4.37Å; I38-L45 HydrophobicContact CD1-CD1 4.04Å; I38-L45 HydrophobicContact CD1-CD2 3.91Å; I38-L45 HydrophobicContact CD1-CG 4.34Å; I38-L45 HydrophobicContact CG2-CB 4.46Å; I38-I68 HydrophobicContact CD1-CD1 4.41Å; I38-I68 HydrophobicContact CG2-CD1 4.39Å
39Q97.7Very high98.4Very high139 Ų13956.6 Ų56.665%0.6528%0.283SS*.Hα-helixtrans-66.3-46.1179.1-71.7175.2-7.200112.1V35 S36 I37 L41 G42V35-Q39 HydrophobicContact CG1-CG 4.32Å; V35-Q39 WeakPolarHBondContact O-CB 3.18Å; V35-Q39 VanDerWaalsContact O-CG 3.31Å; V35-Q39 WeakPolarHBondContact O-CG 3.4Å; V35-Q39 PolarHBondContact O-N 2.95Å; S36-Q39 PolarHBondContact O-N 3.01Å; I37-Q39 VanDerWaalsContact C-N 3.31Å; I37-Q39 PolarHBondContact O-N 2.87Å; Q39-L41 VanDerWaalsContact C-N 3.28Å; Q39-L41 PolarHBondContact O-N 3.49Å; Q39-G42 PolarHBondContact O-N 3.14Å
40Q98.2Very high98.5Very high153 Ų15351.5 Ų51.572%0.71526%0.259SS*.Hα-helixtrans-61.2-36.2179.1-75.1175.38.700112.6S36 I37 G42S36-Q40 WeakPolarHBondContact O-CB 3.47Å; S36-Q40 WeakPolarHBondContact O-CG 3.31Å; S36-Q40 PolarHBondContact O-N 3.31Å; S36-Q40 PolarHBondContact OG-NE2 3.43Å; I37-Q40 PolarHBondContact O-N 3.13Å; Q40-G42 VanDerWaalsContact C-N 3.25Å; Q40-G42 PolarHBondContact O-N 3.4Å
41L98.1Very high98.5Very high96 Ų9649.4 Ų49.450%0.50325%0.249SC..THydrogen-bonded Turntrans-81.2-5.1176.3-65.2176.3000113.3L12 I37 Q39 L43L12-L41 HydrophobicContact CD2-CD1 4.36Å; I37-L41 HydrophobicContact CG2-CD1 3.77Å; I37-L41 HydrophobicContact CG2-CG 4.38Å; I37-L41 WeakPolarHBondContact O-CB 3.43Å; I37-L41 WeakPolarHBondContact O-CG 3.4Å; I37-L41 PolarHBondContact O-N 3.33Å; Q39-L41 VanDerWaalsContact C-N 3.28Å; Q39-L41 PolarHBondContact O-N 3.49Å; L41-L43 VanDerWaalsContact C-N 3.27Å; L41-L43 HydrophobicContact CB-CD1 3.89Å; L41-L43 HydrophobicContact CB-CG 3.74Å; L41-L43 HydrophobicContact CD1-CD1 3.96Å; L41-L43 PolarHBondContact O-N 3.04Å
42G97.9Very high98.5Very high45 Ų4549.1 Ų49.146%0.46425%0.247SC..THydrogen-bonded Turntrans6431.6-177.300000112.9K19 I38 Q39 Q40K19-G42 VanDerWaalsContact CB-O 3.3Å; K19-G42 WeakPolarHBondContact CB-O 3.28Å; I38-G42 PolarHBondContact O-N 2.87Å; Q39-G42 PolarHBondContact O-N 3.14Å; Q40-G42 VanDerWaalsContact C-N 3.25Å; Q40-G42 PolarHBondContact O-N 3.4Å
43L98.5Very high98.5Very high25 Ų2542.9 Ų42.913%0.13122%0.215CC..  trans-84149.2-177.2-63.8174.7000111.8L12 K19 A21 I38 L41L12-L43 HydrophobicContact CD1-CD1 4.28Å; L12-L43 HydrophobicContact CD2-CD1 3.89Å; L12-L43 HydrophobicContact CG-CD1 4.16Å; K19-L43 HydrophobicContact CB-CD2 4.49Å; K19-L43 HydrophobicContact CD-CD2 4.35Å; K19-L43 CarbonylContact O-C 3.58Å; K19-L43 VanDerWaalsContact O-CA 3.3Å; K19-L43 WeakPolarHBondContact O-CA 3.41Å; K19-L43 WeakPolarHBondContact O-CD2 3.28Å; A21-L43 HydrophobicContact CB-CB 4.01Å; A21-L43 HydrophobicContact CB-CD1 4.07Å; A21-L43 HydrophobicContact CB-CD2 4.4Å; A21-L43 HydrophobicContact CB-CG 4.38Å; I38-L43 HydrophobicContact CG2-CB 4.13Å; I38-L43 PolarHBondContact O-N 2.84Å; L41-L43 VanDerWaalsContact C-N 3.27Å; L41-L43 HydrophobicContact CB-CD1 3.89Å; L41-L43 HydrophobicContact CB-CG 3.74Å; L41-L43 HydrophobicContact CD1-CD1 3.96Å; L41-L43 PolarHBondContact O-N 3.04Å
44K98.5Very high98.5Very high142 Ų14239.9 Ų39.962%0.61720%0.203SC*.EExtended strand (participates in β ladder)trans-105.599.5172.3-62.7179.9-178.7179.10108.2K19 E20 A21 R46K19-K44 PolarHBondContact O-N 2.84Å; E20-K44 WeakPolarHBondContact CA-O 3.36Å; A21-K44 PolarHBondContact N-O 2.99Å; K44-R46 PolarHBondContact O-N 2.95Å; K44-R46 VanDerWaalsContact O-N 3.13Å
45L98.7Very high98.4Very high5 Ų540.2 Ų40.23%0.02621%0.206CC..EExtended strand (participates in β ladder)trans-69.4110.1-179.4-168.270.6000110.3L12 A21 I23 I38 Y47 A48 I68 C71L12-L45 HydrophobicContact CD1-CD1 4.28Å; A21-L45 HydrophobicContact CB-CD1 4.41Å; I23-L45 HydrophobicContact CB-CD1 4.03Å; I23-L45 HydrophobicContact CG2-CD1 3.89Å; I23-L45 HydrophobicContact CG2-CD2 4.05Å; I38-L45 HydrophobicContact CD1-CB 4.37Å; I38-L45 HydrophobicContact CD1-CD1 4.04Å; I38-L45 HydrophobicContact CD1-CD2 3.91Å; I38-L45 HydrophobicContact CD1-CG 4.34Å; I38-L45 HydrophobicContact CG2-CB 4.46Å; L45-Y47 WeakPolarHBondContact CD1-O 3.49Å; L45-A48 HydrophobicContact CD2-CB 4.37Å; L45-I68 HydrophobicContact CB-CD1 4.06Å; L45-I68 HydrophobicContact CB-CG2 4.4Å; L45-I68 HydrophobicContact CD2-CD1 3.95Å; L45-C71 HydrophobicContact CD2-CB 4.26Å; L45-C71 HydrophobicContact CG-CB 4.4Å
46R98.6Very high98.4Very high95 Ų9541.3 Ų41.336%0.35821%0.211SC..EExtended strand (participates in β ladder)trans-86.9-36.5178.5-64-62.5-63.7-130.2-10.4111.9E20 A21 K44 R72E20-R46 HydrophobicContact CB-CG 3.87Å; E20-R46 HydrophobicContact CG-CG 4.01Å; E20-R46 IonicContact OE1-CZ 2.79Å; E20-R46 IonicContact OE1-NE 3.02Å; E20-R46 IonicContact OE1-NH1 3.54Å; E20-R46 PolarHBondContact OE1-NH1 3.35Å; A21-R46 WeakPolarHBondContact O-CB 3.43Å; A21-R46 PolarHBondContact O-N 2.84Å; K44-R46 PolarHBondContact O-N 2.95Å; K44-R46 VanDerWaalsContact O-N 3.13Å; R46-R72 PolarHBondContact O-N 3.13Å
47Y98.8Very high98.3Very high14 Ų1439.4 Ų39.46%0.05520%0.197CC..EExtended strand (participates in β ladder)trans-141.2142.7-173.7-50.5-76.4000112L22 I23 L45 C71 R72 L85 L93 K94L22-Y47 CarbonylContact C-O 3.52Å; L22-Y47 WeakPolarHBondContact CA-O 3.49Å; L22-Y47 HydrophobicContact CB-CD2 4.29Å; I23-Y47 PolarHBondContact N-O 3.41Å; L45-Y47 WeakPolarHBondContact CD1-O 3.49Å; Y47-C71 VanDerWaalsContact C-SG 3.5Å; Y47-R72 VanDerWaalsContact CA-O 3.28Å; Y47-R72 WeakPolarHBondContact CA-O 3.41Å; Y47-R72 HydrophobicContact CD1-CB 4.29Å; Y47-R72 VanDerWaalsContact CE1-NH2 3.32Å; Y47-R72 PolarHBondContact OH-NH2 2.94Å; Y47-L85 HydrophobicContact CD1-CD1 3.88Å; Y47-L85 HydrophobicContact CE1-CD1 3.69Å; Y47-L93 HydrophobicContact CD1-CD1 4.26Å; Y47-L93 HydrophobicContact CD1-CD2 4.45Å; Y47-L93 HydrophobicContact CD2-CB 4.32Å; Y47-L93 HydrophobicContact CE1-CD2 4.09Å; Y47-L93 HydrophobicContact CE2-CB 4.19Å; Y47-L93 HydrophobicContact CG-CD1 4.25Å; Y47-K94 VanDerWaalsContact CE2-O 3.25Å; Y47-K94 WeakPolarHBondContact CE2-O 3.36Å; Y47-K94 PolarHBondContact OH-O 2.85Å
48A98.9Very high98.3Very high0 Ų037.5 Ų37.50%019%0.188CC..EExtended strand (participates in β ladder)trans-132.5127168.500000107.8I23 L45 T61 L64 C71 R72 T73 F74I23-A48 HydrophobicContact CG2-CB 3.48Å; I23-A48 VanDerWaalsContact CG2-CB 3.48Å; I23-A48 WeakPolarHBondContact O-CA 3.42Å; L45-A48 HydrophobicContact CD2-CB 4.37Å; A48-T61 HydrophobicContact CB-CG2 4.04Å; A48-L64 HydrophobicContact CB-CD1 4.1Å; A48-C71 VanDerWaalsContact CB-SG 3.59Å; A48-C71 PolarHBondContact N-SG 2.8Å; A48-R72 PolarHBondContact N-O 2.66Å; A48-T73 CarbonylContact O-C 3.56Å; A48-T73 WeakPolarHBondContact O-CA 3.33Å; A48-F74 VanDerWaalsContact C-CE1 3.49Å; A48-F74 PolarHBondContact O-N 3.15Å
49G98.7Very high98.3Very high0 Ų037.4 Ų37.40%019%0.187CC..EExtended strand (participates in β ladder)trans-161.8178.1-174.600000114I23 I24 D25 F74I23-G49 PolarHBondContact O-N 2.9Å; I24-G49 CarbonylContact C-O 3.56Å; I24-G49 WeakPolarHBondContact CA-O 3.32Å; D25-G49 PolarHBondContact N-O 3.01Å; G49-F74 CarbonylContact C-O 3.55Å; G49-F74 VanDerWaalsContact CA-CE1 3.45Å; G49-F74 WeakPolarHBondContact CA-O 3.13Å; G49-F74 VanDerWaalsContact N-CE1 3.25Å
50N98.9Very high98.3Very high4 Ų430.8 Ų30.82%0.02116%0.156CC..  trans-124.9144-170.4-64.9-79.5000112D25 H52 H54 T59 T61 F74 I75D25-N50 WeakPolarHBondContact OD1-CA 3.19Å; N50-H52 VanDerWaalsContact C-N 3.26Å; N50-H52 VanDerWaalsContact CB-O 3.31Å; N50-H52 WeakPolarHBondContact CB-O 3.21Å; N50-H54 PolarHBondContact OD1-CD2 3.28Å; N50-H54 PolarHBondContact OD1-NE2 3.24Å; N50-H54 VanDerWaalsContact OD1-NE2 3.08Å; N50-T59 PolarHBondContact ND2-OG1 3.24Å; N50-T59 PolarHBondContact OD1-OG1 3.03Å; N50-T61 WeakPolarHBondContact ND2-CG2 3.29Å; N50-F74 PolarHBondContact N-O 2.98Å; N50-I75 HydrophobicContact CB-CD1 4.14Å; N50-I75 HydrophobicContact CB-CG1 4.43Å
51T98.9Very high98.4Very high1 Ų123.5 Ų23.51%0.00612%0.122CC..SBendtrans-66.3-32.317054.90000111.2I24 D25 C112 M113 F115 G126I24-T51 HydrophobicContact CG2-CG2 3.83Å; D25-T51 PolarHBondContact OD1-N 2.74Å; D25-T51 PolarHBondContact OD1-OG1 3.07Å; D25-T51 WeakPolarHBondContact OD2-CG2 3.41Å; D25-T51 PolarHBondContact OD2-OG1 2.92Å; T51-C112 CarbonylContact O-C 3.52Å; T51-C112 WeakPolarHBondContact O-CA 3.25Å; T51-M113 PolarHBondContact O-N 3.46Å; T51-F115 HydrophobicContact CG2-CD2 3.92Å; T51-F115 HydrophobicContact CG2-CE2 3.85Å; T51-G126 WeakPolarHBondContact OG1-CA 3.48Å
52H98.7Very high98.3Very high0 Ų019 Ų190%010%0.099CC..SBendtrans-161.4176.8176.263-66.2000111.2N50 H54 H108 C112 D127N50-H52 VanDerWaalsContact C-N 3.26Å; N50-H52 VanDerWaalsContact CB-O 3.31Å; N50-H52 WeakPolarHBondContact CB-O 3.21Å; H52-H54 AromaticContact CE1-CE1 3.42Å; H52-H54 PolarHBondContact CE1-CE1 2.87Å; H52-H54 VanDerWaalsContact CE1-CE1 3.42Å; H52-H54 AromaticContact CE1-ND1 3.08Å; H52-H54 PolarHBondContact CE1-ND1 2.79Å; H52-H54 AromaticContact ND1-CE1 3.6Å; H52-H54 AromaticContact ND1-ND1 3.63Å; H52-H54 AromaticContact NE2-ND1 3.44Å; H52-H54 PolarHBondContact NE2-ND1 2.8Å; H52-H54 PolarHBondContact O-N 3.25Å; H52-H108 AromaticContact CD2-CD2 3.52Å; H52-H108 AromaticContact CD2-NE2 3.62Å; H52-H108 AromaticContact NE2-CD2 3.47Å; H52-H108 PolarHBondContact NE2-CD2 2.98Å; H52-H108 AromaticContact NE2-NE2 3.35Å; H52-H108 PolarHBondContact NE2-NE2 3.44Å; H52-C112 HydrophobicContact CB-CB 4.41Å; H52-C112 VanDerWaalsContact CB-SG 3.59Å; H52-D127 IonicContact NE2-OD2 2.93Å
53A98.1Very high98.3Very high4 Ų419.5 Ų19.53%0.0339%0.089CC..  trans-77.7106.9168.800000108.7Q140 N217 M218A53-Q140 PolarHBondContact O-NE2 2.84Å; A53-N217 HydrophobicContact CB-CB 4.31Å; A53-M218 HydrophobicContact CB-SD 4.22Å
54H98.3Very high98.3Very high1 Ų118.3 Ų18.31%0.0058%0.083CC..  trans-68.2149.4-173.8-56.9-76.1000112.7D25 N50 H52 H57 N217D25-H54 IonicContact OD1-CE1 3.81Å; D25-H54 PolarHBondContact OD1-CE1 2.92Å; D25-H54 VanDerWaalsContact OD1-CE1 3.25Å; D25-H54 IonicContact OD1-NE2 2.68Å; D25-H54 PolarHBondContact OD1-NE2 3.33Å; D25-H54 IonicContact OD2-CE1 3.85Å; N50-H54 PolarHBondContact OD1-CD2 3.28Å; N50-H54 PolarHBondContact OD1-NE2 3.24Å; N50-H54 VanDerWaalsContact OD1-NE2 3.08Å; H52-H54 AromaticContact CE1-CE1 3.42Å; H52-H54 PolarHBondContact CE1-CE1 2.87Å; H52-H54 VanDerWaalsContact CE1-CE1 3.42Å; H52-H54 AromaticContact CE1-ND1 3.08Å; H52-H54 PolarHBondContact CE1-ND1 2.79Å; H52-H54 AromaticContact ND1-CE1 3.6Å; H52-H54 AromaticContact ND1-ND1 3.63Å; H52-H54 AromaticContact NE2-ND1 3.44Å; H52-H54 PolarHBondContact NE2-ND1 2.8Å; H52-H54 PolarHBondContact O-N 3.25Å; H54-H57 AromaticContact CD2-CE1 3.48Å; H54-H57 PolarHBondContact CD2-CE1 3.08Å; H54-H57 VanDerWaalsContact CD2-CE1 3.48Å; H54-H57 AromaticContact CD2-NE2 3.27Å; H54-H57 PolarHBondContact CD2-NE2 2.97Å; H54-H57 VanDerWaalsContact CD2-NE2 3.27Å; H54-H57 AromaticContact CE1-CE1 3.77Å; H54-H57 AromaticContact CG-CE1 3.18Å; H54-H57 AromaticContact CG-ND1 3.96Å; H54-H57 AromaticContact CG-NE2 3.46Å; H54-H57 AromaticContact ND1-CE1 3.41Å; H54-H57 PolarHBondContact ND1-CE1 2.85Å; H54-H57 AromaticContact NE2-CE1 3.83Å; H54-H57 AromaticContact NE2-NE2 3.73Å; H54-N217 PolarHBondContact N-ND2 3.03Å; H54-N217 PolarHBondContact O-ND2 2.74Å
55A97.5Very high98.3Very high7 Ų714.4 Ų14.46%0.0587%0.065CC..SBendtrans-108.4-8.3179.800000113.8Q209 I210 V214A55-Q209 CarbonylContact O-C 3.26Å; A55-Q209 VanDerWaalsContact O-C 3.26Å; A55-I210 HydrophobicContact CB-CB 4.31Å; A55-I210 HydrophobicContact CB-CD1 4.2Å; A55-I210 HydrophobicContact CB-CG1 3.87Å; A55-I210 VanDerWaalsContact O-CA 3.26Å; A55-I210 WeakPolarHBondContact O-CA 3.32Å; A55-I210 PolarHBondContact O-N 3.43Å; A55-I210 VanDerWaalsContact O-N 3.08Å; A55-V214 HydrophobicContact CB-CG2 4.15Å
56D96.9Very high98.2Very high37 Ų3719.3 Ų19.320%0.1989%0.085CC..SBendtrans-113-22.6-169.359.4-75.3000112.2S6 T8 H168 Q209S6-D56 WeakPolarHBondContact CB-OD2 3.26Å; T8-D56 PolarHBondContact OG1-OD2 2.78Å; D56-H168 IonicContact OD1-CE1 3.69Å; D56-H168 IonicContact OD1-NE2 3.64Å; D56-H168 IonicContact OD2-CE1 3.24Å; D56-H168 IonicContact OD2-NE2 3.59Å; D56-H168 PolarHBondContact OD2-NE2 3.06Å; D56-Q209 WeakPolarHBondContact O-CB 3.36Å; D56-Q209 WeakPolarHBondContact O-CG 3.47Å
57H97.6Very high98.1Very high8 Ų819.3 Ų19.34%0.0379%0.092CC..SBendtrans-145.3164.9176.169.4-89.3000112.5T8 V27 H54 A213 N217T8-H57 PolarHBondContact OG1-ND1 2.82Å; V27-H57 HydrophobicContact CG1-CB 3.97Å; H54-H57 AromaticContact CD2-CE1 3.48Å; H54-H57 PolarHBondContact CD2-CE1 3.08Å; H54-H57 VanDerWaalsContact CD2-CE1 3.48Å; H54-H57 AromaticContact CD2-NE2 3.27Å; H54-H57 PolarHBondContact CD2-NE2 2.97Å; H54-H57 VanDerWaalsContact CD2-NE2 3.27Å; H54-H57 AromaticContact CE1-CE1 3.77Å; H54-H57 AromaticContact CG-CE1 3.18Å; H54-H57 AromaticContact CG-ND1 3.96Å; H54-H57 AromaticContact CG-NE2 3.46Å; H54-H57 AromaticContact ND1-CE1 3.41Å; H54-H57 PolarHBondContact ND1-CE1 2.85Å; H54-H57 AromaticContact NE2-CE1 3.83Å; H54-H57 AromaticContact NE2-NE2 3.73Å; H57-A213 WeakPolarHBondContact O-CB 3.19Å; H57-N217 PolarHBondContact O-ND2 3.39Å
58V98.1Very high98Very high7 Ų719.8 Ų19.84%0.04210%0.096CC..  trans-93.9132171.8177.30000109.1I28 A216 N217I28-V58 HydrophobicContact CB-CB 4.34Å; I28-V58 HydrophobicContact CB-CG1 4.26Å; I28-V58 WeakPolarHBondContact CB-O 3.31Å; I28-V58 HydrophobicContact CD1-CG1 4.07Å; I28-V58 HydrophobicContact CG2-CB 3.76Å; I28-V58 HydrophobicContact CG2-CG1 4.11Å; I28-V58 PolarHBondContact N-O 2.95Å; V58-A216 HydrophobicContact CB-CB 4.41Å; V58-A216 HydrophobicContact CG1-CB 3.75Å; V58-A216 HydrophobicContact CG2-CB 3.82Å; V58-N217 WeakPolarHBondContact CA-OD1 3.34Å
59T98.7Very high97.9Very high2 Ų224.3 Ų24.31%0.01213%0.125CC..BIsolated β-bridgetrans-61.3140.3177.2176.10000111.7P26 N50 T61 N217 G221P26-T59 CarbonylContact O-C 3.56Å; P26-T59 WeakPolarHBondContact O-CA 3.06Å; N50-T59 PolarHBondContact ND2-OG1 3.24Å; N50-T59 PolarHBondContact OD1-OG1 3.03Å; T59-T61 VanDerWaalsContact C-N 3.29Å; T59-T61 VanDerWaalsContact CG2-OG1 3.23Å; T59-T61 WeakPolarHBondContact CG2-OG1 3.43Å; T59-T61 WeakPolarHBondContact OG1-CB 3.42Å; T59-T61 VanDerWaalsContact OG1-CG2 3.26Å; T59-T61 WeakPolarHBondContact OG1-CG2 3.32Å; T59-T61 PolarHBondContact OG1-N 2.97Å; T59-T61 VanDerWaalsContact OG1-N 3.15Å; T59-T61 PolarHBondContact OG1-OG1 2.99Å; T59-N217 WeakPolarHBondContact CG2-OD1 3.16Å; T59-N217 PolarHBondContact N-OD1 3.35Å; T59-G221 VanDerWaalsContact CG2-CA 3.5Å
60G98.5Very high97.8Very high0 Ų031.4 Ų31.40%016%0.158CC..SBendtrans-83.33.4172.500000114.4P26 S62 E63 L64P26-G60 PolarHBondContact O-N 3.07Å; G60-S62 PolarHBondContact O-N 3.09Å; G60-E63 PolarHBondContact O-N 2.93Å; G60-L64 WeakPolarHBondContact O-CB 3.37Å; G60-L64 WeakPolarHBondContact O-CG 3.4Å; G60-L64 PolarHBondContact O-N 2.82Å
61T98.5Very high97.7Very high0 Ų031.2 Ų31.20%016%0.157CC..Hα-helixtrans-59-49-17243.10000114.2P26 A48 N50 T59 L64 R65 T73 D220P26-T61 HydrophobicContact CG-CG2 3.84Å; A48-T61 HydrophobicContact CB-CG2 4.04Å; N50-T61 WeakPolarHBondContact ND2-CG2 3.29Å; T59-T61 VanDerWaalsContact C-N 3.29Å; T59-T61 VanDerWaalsContact CG2-OG1 3.23Å; T59-T61 WeakPolarHBondContact CG2-OG1 3.43Å; T59-T61 WeakPolarHBondContact OG1-CB 3.42Å; T59-T61 VanDerWaalsContact OG1-CG2 3.26Å; T59-T61 WeakPolarHBondContact OG1-CG2 3.32Å; T59-T61 PolarHBondContact OG1-N 2.97Å; T59-T61 VanDerWaalsContact OG1-N 3.15Å; T59-T61 PolarHBondContact OG1-OG1 2.99Å; T61-L64 PolarHBondContact O-N 2.91Å; T61-R65 PolarHBondContact O-N 3.24Å; T61-T73 HydrophobicContact CG2-CG2 4.46Å; T61-D220 VanDerWaalsContact CB-OD1 3.26Å; T61-D220 WeakPolarHBondContact CB-OD1 3.41Å; T61-D220 PolarHBondContact OG1-O 3.19Å; T61-D220 PolarHBondContact OG1-OD1 2.78Å
62S97.8Very high97.7Very high3 Ų336.2 Ų36.22%0.02118%0.176CC..Hα-helixtrans-65.2-40178.4-170.70000112.5G60 R65 K66 D220G60-S62 PolarHBondContact O-N 3.09Å; S62-R65 PolarHBondContact O-N 3.16Å; S62-R65 PolarHBondContact OG-NH2 3.47Å; S62-K66 WeakPolarHBondContact O-CG 3.39Å; S62-K66 PolarHBondContact O-N 2.79Å; S62-D220 WeakPolarHBondContact CB-O 3.5Å; S62-D220 PolarHBondContact N-O 3.07Å; S62-D220 VanDerWaalsContact N-O 3.15Å
63E97.9Very high97.7Very high54 Ų5436.2 Ų36.225%0.25218%0.176SC..Hα-helixtrans-66.6-41.8176.7-66.9-52.5129.200112.1I28 V31 G60 R65 K66 L67I28-E63 HydrophobicContact CD1-CG 3.89Å; I28-E63 HydrophobicContact CG1-CG 3.84Å; V31-E63 HydrophobicContact CB-CB 4.5Å; V31-E63 HydrophobicContact CG1-CB 4.11Å; V31-E63 HydrophobicContact CG2-CB 3.94Å; G60-E63 PolarHBondContact O-N 2.93Å; E63-R65 VanDerWaalsContact C-N 3.31Å; E63-R65 PolarHBondContact O-N 3.5Å; E63-K66 WeakPolarHBondContact O-CB 3.42Å; E63-K66 PolarHBondContact O-N 2.9Å; E63-K66 IonicContact OE1-NZ 2.7Å; E63-K66 PolarHBondContact OE1-NZ 2.76Å; E63-K66 IonicContact OE2-NZ 3.11Å; E63-L67 PolarHBondContact O-N 2.96Å; E63-L67 VanDerWaalsContact O-N 3.16Å
64L98.2Very high97.7Very high0 Ų036.1 Ų36.10%018%0.175CC..Hα-helixtrans-58.2-43.5171.9-78.4168.4000111.6I23 P26 V31 V35 A48 G60 T61 K66 L67 I68I23-L64 HydrophobicContact CD1-CD1 4.47Å; I23-L64 HydrophobicContact CG2-CD1 3.88Å; P26-L64 HydrophobicContact CB-CD1 3.61Å; P26-L64 HydrophobicContact CG-CD1 3.8Å; V31-L64 HydrophobicContact CG1-CD2 4.08Å; V31-L64 HydrophobicContact CG1-CG 4.22Å; V31-L64 HydrophobicContact CG2-CG 4.34Å; V35-L64 HydrophobicContact CG2-CD2 3.66Å; A48-L64 HydrophobicContact CB-CD1 4.1Å; G60-L64 WeakPolarHBondContact O-CB 3.37Å; G60-L64 WeakPolarHBondContact O-CG 3.4Å; G60-L64 PolarHBondContact O-N 2.82Å; T61-L64 PolarHBondContact O-N 2.91Å; L64-K66 VanDerWaalsContact C-N 3.34Å; L64-K66 PolarHBondContact O-N 2.8Å; L64-L67 PolarHBondContact O-N 3.14Å; L64-I68 PolarHBondContact O-N 3.3Å
65R97.3Very high97.8Very high61 Ų6136.3 Ų36.323%0.2318%0.176CC..Hα-helixtrans-64.9-34.5177-177.6178.959.8-139.8-15.8112.5T61 S62 E63 L67 I68 P69 T73 D84 D220T61-R65 PolarHBondContact O-N 3.24Å; S62-R65 PolarHBondContact O-N 3.16Å; S62-R65 PolarHBondContact OG-NH2 3.47Å; E63-R65 VanDerWaalsContact C-N 3.31Å; E63-R65 PolarHBondContact O-N 3.5Å; R65-L67 VanDerWaalsContact C-N 3.32Å; R65-L67 PolarHBondContact O-N 3.1Å; R65-I68 CarbonylContact O-C 3.56Å; R65-I68 VanDerWaalsContact O-C 3.28Å; R65-P69 VanDerWaalsContact O-CA 3.31Å; R65-P69 WeakPolarHBondContact O-CA 3.33Å; R65-T73 HydrophobicContact CB-CG2 4.34Å; R65-T73 PolarHBondContact NH1-OG1 2.78Å; R65-D84 IonicContact NH1-OD1 3.81Å; R65-D84 PolarHBondContact NH1-OD1 3.03Å; R65-D84 IonicContact NH1-OD2 2.73Å; R65-D84 PolarHBondContact NH1-OD2 2.87Å; R65-D220 IonicContact CZ-OD2 3.94Å; R65-D220 IonicContact NH1-OD2 3.44Å; R65-D220 PolarHBondContact NH1-OD2 2.91Å; R65-D220 IonicContact NH2-OD2 3.48Å; R65-D220 PolarHBondContact NH2-OD2 3.42Å; R65-D220 VanDerWaalsContact NH2-OD2 3.16Å
66K96.8Very high97.8Very high107 Ų10736 Ų3647%0.46517%0.174SC..Hα-helixtrans-63.3-39.1174.2-71.5171.1-173.1172.90111.7S62 E63 L64S62-K66 WeakPolarHBondContact O-CG 3.39Å; S62-K66 PolarHBondContact O-N 2.79Å; E63-K66 WeakPolarHBondContact O-CB 3.42Å; E63-K66 PolarHBondContact O-N 2.9Å; E63-K66 IonicContact OE1-NZ 2.7Å; E63-K66 PolarHBondContact OE1-NZ 2.76Å; E63-K66 IonicContact OE2-NZ 3.11Å; L64-K66 VanDerWaalsContact C-N 3.34Å; L64-K66 PolarHBondContact O-N 2.8Å
67L97.4Very high97.9Very high96 Ų9640.4 Ų40.450%0.50319%0.191SC..Hα-helixtrans-83.7-26.8-179.3-62.9174.8000113.3V31 V35 E63 L64 R65V31-L67 HydrophobicContact CG1-CD1 3.74Å; V35-L67 HydrophobicContact CG2-CB 4.43Å; V35-L67 HydrophobicContact CG2-CD1 3.89Å; E63-L67 PolarHBondContact O-N 2.96Å; E63-L67 VanDerWaalsContact O-N 3.16Å; L64-L67 PolarHBondContact O-N 3.14Å; R65-L67 VanDerWaalsContact C-N 3.32Å; R65-L67 PolarHBondContact O-N 3.1Å
68I97.3Very high97.9Very high24 Ų2447 Ų4712%0.12322%0.219CC..SBendtrans-130.580.8179.9-50.9173.4000108.4V35 I38 L45 L64 R65 E70 C71V35-I68 HydrophobicContact CG2-CD1 4.47Å; I38-I68 HydrophobicContact CD1-CD1 4.41Å; I38-I68 HydrophobicContact CG2-CD1 4.39Å; L45-I68 HydrophobicContact CB-CD1 4.06Å; L45-I68 HydrophobicContact CB-CG2 4.4Å; L45-I68 HydrophobicContact CD2-CD1 3.95Å; L64-I68 PolarHBondContact O-N 3.3Å; R65-I68 CarbonylContact O-C 3.56Å; R65-I68 VanDerWaalsContact O-C 3.28Å; I68-E70 PolarHBondContact O-N 3.38Å; I68-E70 VanDerWaalsContact O-N 3.09Å; I68-C71 HydrophobicContact CB-CB 4.3Å; I68-C71 HydrophobicContact CG2-CB 4.13Å; I68-C71 VanDerWaalsContact O-CB 3.26Å; I68-C71 WeakPolarHBondContact O-CB 3.36Å; I68-C71 PolarHBondContact O-N 3.28Å
69P96.5Very high97.9Very high95 Ų9547.5 Ų47.562%0.61722%0.223SC*.THydrogen-bonded Turntrans-61.9-20.1-171.4-25.836.5000115.2R65 C71R65-P69 VanDerWaalsContact O-CA 3.31Å; R65-P69 WeakPolarHBondContact O-CA 3.33Å; P69-C71 VanDerWaalsContact C-N 3.29Å
70E95.4Very high97.9Very high148 Ų14850.1 Ų50.169%0.69225%0.25SS*.THydrogen-bonded Turntrans-78.2-14.2176.6-51.782.6-172.300113.3I68I68-E70 PolarHBondContact O-N 3.38Å; I68-E70 VanDerWaalsContact O-N 3.09Å
71C97.6Very high97.8Very high1 Ų150.3 Ų50.31%0.00725%0.252CS..PPolyproline II helixtrans-73.9129.5179.1177.90000110.7L45 Y47 A48 I68 P69L45-C71 HydrophobicContact CD2-CB 4.26Å; L45-C71 HydrophobicContact CG-CB 4.4Å; Y47-C71 VanDerWaalsContact C-SG 3.5Å; A48-C71 VanDerWaalsContact CB-SG 3.59Å; A48-C71 PolarHBondContact N-SG 2.8Å; I68-C71 HydrophobicContact CB-CB 4.3Å; I68-C71 HydrophobicContact CG2-CB 4.13Å; I68-C71 VanDerWaalsContact O-CB 3.26Å; I68-C71 WeakPolarHBondContact O-CB 3.36Å; I68-C71 PolarHBondContact O-N 3.28Å; P69-C71 VanDerWaalsContact C-N 3.29Å
72R98.7Very high97.8Very high106 Ų10654.1 Ų54.140%0.427%0.272SS..EExtended strand (participates in β ladder)trans-99.8133.5174.5-64.8-176-65.1178.70.7111R46 Y47 A48 D84 L85R46-R72 PolarHBondContact O-N 3.13Å; Y47-R72 VanDerWaalsContact CA-O 3.28Å; Y47-R72 WeakPolarHBondContact CA-O 3.41Å; Y47-R72 HydrophobicContact CD1-CB 4.29Å; Y47-R72 VanDerWaalsContact CE1-NH2 3.32Å; Y47-R72 PolarHBondContact OH-NH2 2.94Å; A48-R72 PolarHBondContact N-O 2.66Å; R72-D84 WeakPolarHBondContact CA-OD2 3.5Å; R72-D84 HydrophobicContact CB-CB 4.12Å; R72-L85 HydrophobicContact CB-CD1 4.27Å; R72-L85 HydrophobicContact CB-CG 4.49Å
73T98.7Very high97.8Very high0 Ų055.1 Ų55.10%028%0.28CS..EExtended strand (participates in β ladder)trans-80.7150178.367.80000112.4A48 T61 R65 A83 D84 L85 D220A48-T73 CarbonylContact O-C 3.56Å; A48-T73 WeakPolarHBondContact O-CA 3.33Å; T61-T73 HydrophobicContact CG2-CG2 4.46Å; R65-T73 HydrophobicContact CB-CG2 4.34Å; R65-T73 PolarHBondContact NH1-OG1 2.78Å; T73-A83 WeakPolarHBondContact OG1-CA 3.47Å; T73-D84 PolarHBondContact N-OD2 3.25Å; T73-D84 WeakPolarHBondContact O-CB 3.5Å; T73-D84 PolarHBondContact O-N 3.33Å; T73-D84 PolarHBondContact OG1-N 2.98Å; T73-D84 PolarHBondContact OG1-OD2 3.21Å; T73-L85 PolarHBondContact O-N 2.8Å; T73-D220 WeakPolarHBondContact CB-OD2 3.47Å; T73-D220 WeakPolarHBondContact CG2-OD2 3.49Å; T73-D220 PolarHBondContact OG1-OD2 3.32Å
74F98.9Very high97.9Very high1 Ų156.4 Ų56.40%0.00429%0.289CS..EExtended strand (participates in β ladder)trans-140.6148.7176.268.6-89.1000114I24 A48 G49 N50 L85 L87 L93 I100 F115I24-F74 HydrophobicContact CG1-CZ 4.28Å; A48-F74 VanDerWaalsContact C-CE1 3.49Å; A48-F74 PolarHBondContact O-N 3.15Å; G49-F74 CarbonylContact C-O 3.55Å; G49-F74 VanDerWaalsContact CA-CE1 3.45Å; G49-F74 WeakPolarHBondContact CA-O 3.13Å; G49-F74 VanDerWaalsContact N-CE1 3.25Å; N50-F74 PolarHBondContact N-O 2.98Å; F74-L85 VanDerWaalsContact CA-O 3.28Å; F74-L85 WeakPolarHBondContact CA-O 3.31Å; F74-L85 HydrophobicContact CB-CB 4Å; F74-L87 HydrophobicContact CB-CD1 4.17Å; F74-L87 HydrophobicContact CB-CG 4.33Å; F74-L87 HydrophobicContact CD2-CD1 3.63Å; F74-L87 HydrophobicContact CE2-CD1 4.45Å; F74-L87 HydrophobicContact CG-CD1 4.2Å; F74-L93 HydrophobicContact CB-CD1 4.11Å; F74-L93 HydrophobicContact CD1-CD1 3.69Å; F74-L93 HydrophobicContact CD2-CD1 4Å; F74-L93 HydrophobicContact CE1-CD1 4.05Å; F74-L93 HydrophobicContact CE2-CD1 4.34Å; F74-L93 HydrophobicContact CG-CD1 3.65Å; F74-L93 HydrophobicContact CZ-CD1 4.36Å; F74-I100 HydrophobicContact CE2-CD1 4.38Å; F74-I100 HydrophobicContact CZ-CD1 4.15Å; F74-F115 HydrophobicContact CD2-CE1 4.31Å; F74-F115 HydrophobicContact CD2-CE2 4.5Å; F74-F115 AromaticContact CD2-CZ 3.89Å; F74-F115 HydrophobicContact CD2-CZ 3.89Å; F74-F115 HydrophobicContact CE2-CD2 4.37Å; F74-F115 AromaticContact CE2-CE1 3.99Å; F74-F115 HydrophobicContact CE2-CE1 3.99Å; F74-F115 AromaticContact CE2-CE2 3.68Å; F74-F115 HydrophobicContact CE2-CE2 3.68Å; F74-F115 AromaticContact CE2-CZ 3.48Å; F74-F115 HydrophobicContact CE2-CZ 3.48Å; F74-F115 VanDerWaalsContact CE2-CZ 3.48Å
75I98.8Very high97.9Very high6 Ų658.3 Ų58.33%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-156.7161.9171.8-164160.3000109.8N50 K77 A81 A83 L85 L86 L87N50-I75 HydrophobicContact CB-CD1 4.14Å; N50-I75 HydrophobicContact CB-CG1 4.43Å; I75-K77 PolarHBondContact O-N 3.43Å; I75-A81 HydrophobicContact CD1-CB 3.97Å; I75-A81 HydrophobicContact CG2-CB 4.31Å; I75-A83 HydrophobicContact CB-CB 4.38Å; I75-A83 HydrophobicContact CG2-CB 3.73Å; I75-L85 PolarHBondContact N-O 2.66Å; I75-L85 VanDerWaalsContact N-O 3.15Å; I75-L86 HydrophobicContact CG2-CD2 3.95Å; I75-L86 WeakPolarHBondContact O-CA 3.08Å; I75-L87 PolarHBondContact O-N 3.09Å
76G98.6Very high98Very high1 Ų159.4 Ų59.41%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-62.5129.8173.600000112.1K78 S79 L87G76-K78 PolarHBondContact O-N 2.83Å; G76-K78 VanDerWaalsContact O-N 3.1Å; G76-S79 VanDerWaalsContact O-CB 3.25Å; G76-S79 WeakPolarHBondContact O-CB 3.46Å; G76-S79 PolarHBondContact O-N 2.78Å; G76-S79 PolarHBondContact O-OG 3.25Å; G76-L87 CarbonylContact C-O 3.51Å
77K98.6Very high98Very high129 Ų12954.7 Ų54.756%0.56129%0.289SS*.G310 helixtrans-53.3-33.9-179.9-176.2174.5-178.2174.80113.5I75 S79 G80 L86 L87 T88I75-K77 PolarHBondContact O-N 3.43Å; K77-S79 PolarHBondContact O-N 3.47Å; K77-G80 PolarHBondContact O-N 2.84Å; K77-L86 HydrophobicContact CB-CB 3.98Å; K77-L86 HydrophobicContact CG-CB 4.19Å; K77-L87 WeakPolarHBondContact CB-O 3.3Å; K77-L87 PolarHBondContact N-O 2.76Å; K77-T88 HydrophobicContact CB-CG2 4.06Å; K77-T88 HydrophobicContact CD-CG2 3.82Å
78K98Very high98.1Very high146 Ų14653 Ų5364%0.63528%0.283SS*.G310 helixtrans-73.9-8179.6-68.2-172.9178.7179.30113.9G76 G80 N110G76-K78 PolarHBondContact O-N 2.83Å; G76-K78 VanDerWaalsContact O-N 3.1Å; K78-G80 PolarHBondContact O-N 3.13Å; K78-N110 WeakPolarHBondContact CB-O 3.39Å
79S98Very high98.2Very high18 Ų1855.5 Ų55.513%0.12630%0.296CS..G310 helixtrans-68.3-25.3172.5720000112.3G76 K77 A81 M218G76-S79 VanDerWaalsContact O-CB 3.25Å; G76-S79 WeakPolarHBondContact O-CB 3.46Å; G76-S79 PolarHBondContact O-N 2.78Å; G76-S79 PolarHBondContact O-OG 3.25Å; K77-S79 PolarHBondContact O-N 3.47Å; S79-A81 PolarHBondContact O-N 2.91Å; S79-A81 WeakPolarHBondContact OG-CB 3.47Å; S79-A81 PolarHBondContact OG-N 3.26Å; S79-M218 WeakPolarHBondContact O-CE 3.46Å
80G97.7Very high98.3Very high56 Ų5652.6 Ų52.658%0.57728%0.284SS*.  trans71.4-1-170.700000114.1K77 K78 M218K77-G80 PolarHBondContact O-N 2.84Å; K78-G80 PolarHBondContact O-N 3.13Å; G80-M218 WeakPolarHBondContact O-CE 3.43Å
81A98Very high98.4Very high4 Ų448.5 Ų48.53%0.03327%0.266CS..  trans-76.8158.6177.500000111.6I75 S79 L86 M218I75-A81 HydrophobicContact CD1-CB 3.97Å; I75-A81 HydrophobicContact CG2-CB 4.31Å; S79-A81 PolarHBondContact O-N 2.91Å; S79-A81 WeakPolarHBondContact OG-CB 3.47Å; S79-A81 PolarHBondContact OG-N 3.26Å; A81-L86 WeakPolarHBondContact O-CD2 3.26Å; A81-M218 WeakPolarHBondContact CA-O 3.24Å; A81-M218 HydrophobicContact CB-CE 4.29Å; A81-M218 HydrophobicContact CB-SD 3.96Å
82L98.1Very high98.5Very high80 Ų8053.1 Ų53.142%0.41929%0.288SS..  trans-80.4143.5173.3-56.9-177.7000111.1M218 V219 D220L82-M218 PolarHBondContact N-O 3.03Å; L82-V219 HydrophobicContact CD1-CB 4.49Å; L82-V219 HydrophobicContact CD1-CG1 4.25Å; L82-D220 WeakPolarHBondContact O-CB 3.4Å
83A98.2Very high98.5Very high24 Ų2448.7 Ų48.720%0.19827%0.272CS..  trans-163.6168.8167.100000108.8T73 I75 L85 L86T73-A83 WeakPolarHBondContact OG1-CA 3.47Å; I75-A83 HydrophobicContact CB-CB 4.38Å; I75-A83 HydrophobicContact CG2-CB 3.73Å; A83-L85 VanDerWaalsContact C-N 3.31Å; A83-L86 HydrophobicContact CB-CD2 4.3Å
84D98.4Very high98.5Very high81 Ų8155.6 Ų55.643%0.43330%0.302SS..SBendtrans-68-33.9173.6-59.4-44.5000111.7R65 R72 T73R65-D84 IonicContact NH1-OD1 3.81Å; R65-D84 PolarHBondContact NH1-OD1 3.03Å; R65-D84 IonicContact NH1-OD2 2.73Å; R65-D84 PolarHBondContact NH1-OD2 2.87Å; R72-D84 WeakPolarHBondContact CA-OD2 3.5Å; R72-D84 HydrophobicContact CB-CB 4.12Å; T73-D84 PolarHBondContact N-OD2 3.25Å; T73-D84 WeakPolarHBondContact O-CB 3.5Å; T73-D84 PolarHBondContact O-N 3.33Å; T73-D84 PolarHBondContact OG1-N 2.98Å; T73-D84 PolarHBondContact OG1-OD2 3.21Å
85L98.7Very high98.4Very high41 Ų4155.7 Ų55.722%0.21530%0.302CS..EExtended strand (participates in β ladder)trans-125.5118.8-179.9-55.8174.9000111Y47 R72 T73 F74 I75 A83 L87 L93Y47-L85 HydrophobicContact CD1-CD1 3.88Å; Y47-L85 HydrophobicContact CE1-CD1 3.69Å; R72-L85 HydrophobicContact CB-CD1 4.27Å; R72-L85 HydrophobicContact CB-CG 4.49Å; T73-L85 PolarHBondContact O-N 2.8Å; F74-L85 VanDerWaalsContact CA-O 3.28Å; F74-L85 WeakPolarHBondContact CA-O 3.31Å; F74-L85 HydrophobicContact CB-CB 4Å; I75-L85 PolarHBondContact N-O 2.66Å; I75-L85 VanDerWaalsContact N-O 3.15Å; A83-L85 VanDerWaalsContact C-N 3.31Å; L85-L87 HydrophobicContact CB-CD2 4.36Å; L85-L93 HydrophobicContact CD1-CD2 3.89Å
86L98.8Very high98.4Very high83 Ų8356.7 Ų56.744%0.43531%0.314SS..EExtended strand (participates in β ladder)trans-100.8102.6177-62.6179.6000110.4I75 K77 A81 A83I75-L86 HydrophobicContact CG2-CD2 3.95Å; I75-L86 WeakPolarHBondContact O-CA 3.08Å; K77-L86 HydrophobicContact CB-CB 3.98Å; K77-L86 HydrophobicContact CG-CB 4.19Å; A81-L86 WeakPolarHBondContact O-CD2 3.26Å; A83-L86 HydrophobicContact CB-CD2 4.3Å
87L98.8Very high98.3Very high9 Ų961.4 Ų61.45%0.04734%0.339CS..EExtended strand (participates in β ladder)trans-82.4147.5-170.9-54-178.6000112.7F74 I75 G76 K77 L85 D91 L93 A102 M113 F115F74-L87 HydrophobicContact CB-CD1 4.17Å; F74-L87 HydrophobicContact CB-CG 4.33Å; F74-L87 HydrophobicContact CD2-CD1 3.63Å; F74-L87 HydrophobicContact CE2-CD1 4.45Å; F74-L87 HydrophobicContact CG-CD1 4.2Å; I75-L87 PolarHBondContact O-N 3.09Å; G76-L87 CarbonylContact C-O 3.51Å; K77-L87 WeakPolarHBondContact CB-O 3.3Å; K77-L87 PolarHBondContact N-O 2.76Å; L85-L87 HydrophobicContact CB-CD2 4.36Å; L87-D91 HydrophobicContact CD2-CB 4.31Å; L87-L93 HydrophobicContact CD1-CD1 4.03Å; L87-L93 HydrophobicContact CD1-CG 4.43Å; L87-L93 HydrophobicContact CD2-CD1 4.45Å; L87-L93 HydrophobicContact CD2-CD2 4.09Å; L87-L93 HydrophobicContact CD2-CG 4.33Å; L87-A102 HydrophobicContact CB-CB 4.29Å; L87-A102 HydrophobicContact CD1-CB 4.11Å; L87-M113 HydrophobicContact CB-CE 4.41Å; L87-F115 HydrophobicContact CD1-CE1 3.76Å; L87-F115 HydrophobicContact CD1-CZ 4.34Å
88T98.7Very high98.3Very high61 Ų6158.2 Ų58.237%0.37432%0.324SS..  trans-122168.117457.20000110.7K77 G90 D91K77-T88 HydrophobicContact CB-CG2 4.06Å; K77-T88 HydrophobicContact CD-CG2 3.82Å; T88-G90 PolarHBondContact O-N 3.12Å; T88-D91 WeakPolarHBondContact CA-OD2 3.45Å; T88-D91 PolarHBondContact N-OD2 2.89Å; T88-D91 WeakPolarHBondContact O-CB 3.26Å; T88-D91 PolarHBondContact O-N 2.79Å; T88-D91 VanDerWaalsContact O-N 3.15Å; T88-D91 PolarHBondContact OG1-OD2 2.75Å
89D98.6Very high98.4Very high76 Ų7651.9 Ų51.941%0.40630%0.298SS..THydrogen-bonded Turntrans-58.7122.8-179.2-168.361.6000110.3L103 C104 K154D89-L103 WeakPolarHBondContact OD1-CA 3.29Å; D89-C104 HydrophobicContact CB-CB 4.04Å; D89-C104 PolarHBondContact OD1-N 2.98Å; D89-K154 IonicContact OD1-NZ 2.74Å; D89-K154 PolarHBondContact OD1-NZ 3.41Å; D89-K154 IonicContact OD2-NZ 3.84Å; D89-K154 PolarHBondContact OD2-NZ 3.48Å
90G98.6Very high98.4Very high34 Ų3451.1 Ų51.135%0.35129%0.293SS..THydrogen-bonded Turntrans96-10.718000000115.6T88 A102T88-G90 PolarHBondContact O-N 3.12Å; G90-A102 PolarHBondContact N-O 2.87Å
91D98.8Very high98.4Very high62 Ų6251.6 Ų51.633%0.33228%0.279SS..  trans-61.8150.7176.2-75.7-30.6000111.5L87 T88 K101 A102L87-D91 HydrophobicContact CD2-CB 4.31Å; T88-D91 WeakPolarHBondContact CA-OD2 3.45Å; T88-D91 PolarHBondContact N-OD2 2.89Å; T88-D91 WeakPolarHBondContact O-CB 3.26Å; T88-D91 PolarHBondContact O-N 2.79Å; T88-D91 VanDerWaalsContact O-N 3.15Å; T88-D91 PolarHBondContact OG1-OD2 2.75Å; D91-K101 WeakPolarHBondContact O-CA 3.28Å; D91-A102 HydrophobicContact CB-CB 4.5Å; D91-A102 WeakPolarHBondContact O-CB 3.48Å; D91-A102 PolarHBondContact O-N 3.45Å
92E98.6Very high98.5Very high98 Ų9851.5 Ų51.546%0.45828%0.278SS..EExtended strand (participates in β ladder)trans-127.3135.9179.7-72.7-171.8-155.700112.3S99 I100 K101E92-S99 PolarHBondContact OE2-OG 2.79Å; E92-I100 VanDerWaalsContact CA-O 3.3Å; E92-I100 WeakPolarHBondContact CA-O 3.45Å; E92-K101 HydrophobicContact CG-CB 4.08Å; E92-K101 HydrophobicContact CG-CG 4.17Å
93L98.7Very high98.5Very high13 Ų1348.5 Ų48.57%0.06826%0.262CS..EExtended strand (participates in β ladder)trans-109.2117169.8-59.7-178.7000109.9Y47 F74 L85 L87 S99 I100Y47-L93 HydrophobicContact CD1-CD1 4.26Å; Y47-L93 HydrophobicContact CD1-CD2 4.45Å; Y47-L93 HydrophobicContact CD2-CB 4.32Å; Y47-L93 HydrophobicContact CE1-CD2 4.09Å; Y47-L93 HydrophobicContact CE2-CB 4.19Å; Y47-L93 HydrophobicContact CG-CD1 4.25Å; F74-L93 HydrophobicContact CB-CD1 4.11Å; F74-L93 HydrophobicContact CD1-CD1 3.69Å; F74-L93 HydrophobicContact CD2-CD1 4Å; F74-L93 HydrophobicContact CE1-CD1 4.05Å; F74-L93 HydrophobicContact CE2-CD1 4.34Å; F74-L93 HydrophobicContact CG-CD1 3.65Å; F74-L93 HydrophobicContact CZ-CD1 4.36Å; L85-L93 HydrophobicContact CD1-CD2 3.89Å; L87-L93 HydrophobicContact CD1-CD1 4.03Å; L87-L93 HydrophobicContact CD1-CG 4.43Å; L87-L93 HydrophobicContact CD2-CD1 4.45Å; L87-L93 HydrophobicContact CD2-CD2 4.09Å; L87-L93 HydrophobicContact CD2-CG 4.33Å; L93-S99 CarbonylContact O-C 3.5Å; L93-S99 VanDerWaalsContact O-CA 3.23Å; L93-S99 WeakPolarHBondContact O-CA 3.11Å; L93-I100 HydrophobicContact CB-CD1 4.38Å; L93-I100 HydrophobicContact CB-CG1 3.85Å; L93-I100 HydrophobicContact CD1-CD1 4.28Å; L93-I100 PolarHBondContact N-O 3.49Å; L93-I100 PolarHBondContact O-N 3.15Å
94K98.6Very high98.5Very high145 Ų14548.3 Ų48.363%0.6326%0.259SS*.EExtended strand (participates in β ladder)trans-92.9134.2178.9-68.4-178.1178.4-178.40112Y47 Y98Y47-K94 VanDerWaalsContact CE2-O 3.25Å; Y47-K94 WeakPolarHBondContact CE2-O 3.36Å; Y47-K94 PolarHBondContact OH-O 2.85Å; K94-Y98 WeakPolarHBondContact CA-O 3.36Å
95F98.2Very high98.6Very high2 Ų244.4 Ų44.41%0.00924%0.238CC..EExtended strand (participates in β ladder)trans-140.7102176.860.5-72.8000109.1L13 E20 L22 N97 Y98 I100L13-F95 HydrophobicContact CB-CE2 3.75Å; L13-F95 HydrophobicContact CB-CZ 3.98Å; L13-F95 HydrophobicContact CD2-CZ 3.92Å; E20-F95 HydrophobicContact CB-CB 4.26Å; L22-F95 HydrophobicContact CD2-CD1 3.33Å; L22-F95 HydrophobicContact CD2-CD2 4.42Å; L22-F95 HydrophobicContact CD2-CE1 3.32Å; L22-F95 HydrophobicContact CD2-CE2 4.4Å; L22-F95 HydrophobicContact CD2-CG 3.91Å; L22-F95 HydrophobicContact CD2-CZ 3.88Å; L22-F95 HydrophobicContact CG-CD1 4.26Å; L22-F95 HydrophobicContact CG-CE1 4.23Å; L22-F95 HydrophobicContact CG-CG 4.42Å; L22-F95 HydrophobicContact CG-CZ 4.36Å; F95-N97 PolarHBondContact O-N 3.24Å; F95-Y98 HydrophobicContact CE2-CD2 4.13Å; F95-Y98 HydrophobicContact CE2-CG 4.18Å; F95-Y98 HydrophobicContact CZ-CG 4.24Å; F95-Y98 PolarHBondContact N-O 2.74Å; F95-Y98 PolarHBondContact O-N 2.85Å; F95-I100 HydrophobicContact CE1-CG2 4.05Å
96G97.4Very high98.6Very high27 Ų2743.5 Ų43.528%0.27824%0.235SC..THydrogen-bonded Turntrans62.4-125.9-171.500000112.6T18 E20 Y98T18-G96 WeakPolarHBondContact OG1-CA 3.21Å; E20-G96 PolarHBondContact OE2-N 2.81Å; G96-Y98 VanDerWaalsContact C-N 3.26Å
97N97.7Very high98.6Very high100 Ų10039.6 Ų39.654%0.53521%0.214SC..THydrogen-bonded Turntrans-84.4-0.5179.6-64.9-1.8000113.2C15 N17 F95C15-N97 PolarHBondContact SG-N 3.38Å; C15-N97 VanDerWaalsContact SG-N 3.39Å; N17-N97 PolarHBondContact ND2-ND2 3.45Å; F95-N97 PolarHBondContact O-N 3.24Å
98Y98.5Very high98.5Very high62 Ų6239.7 Ų39.724%0.24322%0.215CC..EExtended strand (participates in β ladder)trans-113.4158.7-174.2-61.6-67.6000111.5C15 K94 F95 G96 Q119 E120C15-Y98 HydrophobicContact CB-CD2 3.8Å; C15-Y98 HydrophobicContact CB-CE2 4.13Å; K94-Y98 WeakPolarHBondContact CA-O 3.36Å; F95-Y98 HydrophobicContact CE2-CD2 4.13Å; F95-Y98 HydrophobicContact CE2-CG 4.18Å; F95-Y98 HydrophobicContact CZ-CG 4.24Å; F95-Y98 PolarHBondContact N-O 2.74Å; F95-Y98 PolarHBondContact O-N 2.85Å; G96-Y98 VanDerWaalsContact C-N 3.26Å; Y98-Q119 HydrophobicContact CD1-CB 3.79Å; Y98-Q119 HydrophobicContact CD1-CG 4.23Å; Y98-Q119 HydrophobicContact CE1-CB 4.08Å; Y98-E120 HydrophobicContact CD1-CG 4.23Å; Y98-E120 HydrophobicContact CE1-CG 3.73Å; Y98-E120 WeakPolarHBondContact CE1-OE1 3.41Å; Y98-E120 VanDerWaalsContact CZ-OE1 3.27Å; Y98-E120 PolarHBondContact OH-OE1 2.98Å
99S98.6Very high98.5Very high14 Ų1437.1 Ų37.110%0.09820%0.199CC..EExtended strand (participates in β ladder)trans-139.5148.9168.657.40000110.6E92 L93 Q119E92-S99 PolarHBondContact OE2-OG 2.79Å; L93-S99 CarbonylContact O-C 3.5Å; L93-S99 VanDerWaalsContact O-CA 3.23Å; L93-S99 WeakPolarHBondContact O-CA 3.11Å; S99-Q119 VanDerWaalsContact N-NE2 3.19Å; S99-Q119 PolarHBondContact O-OE1 2.87Å; S99-Q119 PolarHBondContact OG-NE2 3.21Å
100I98.7Very high98.4Very high1 Ų136 Ų361%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-105.3126.5162.755168.2000109.1L13 L22 F74 E92 L93 F95 F115 V116 C117L13-I100 HydrophobicContact CD2-CG2 4.34Å; L22-I100 HydrophobicContact CD1-CD1 4.16Å; L22-I100 HydrophobicContact CD2-CB 4.47Å; L22-I100 HydrophobicContact CD2-CD1 3.55Å; L22-I100 HydrophobicContact CD2-CG1 3.68Å; L22-I100 HydrophobicContact CD2-CG2 4.01Å; F74-I100 HydrophobicContact CE2-CD1 4.38Å; F74-I100 HydrophobicContact CZ-CD1 4.15Å; E92-I100 VanDerWaalsContact CA-O 3.3Å; E92-I100 WeakPolarHBondContact CA-O 3.45Å; L93-I100 HydrophobicContact CB-CD1 4.38Å; L93-I100 HydrophobicContact CB-CG1 3.85Å; L93-I100 HydrophobicContact CD1-CD1 4.28Å; L93-I100 PolarHBondContact N-O 3.49Å; L93-I100 PolarHBondContact O-N 3.15Å; F95-I100 HydrophobicContact CE1-CG2 4.05Å; I100-F115 HydrophobicContact CB-CB 4.27Å; I100-F115 HydrophobicContact CD1-CB 4.18Å; I100-F115 HydrophobicContact CD1-CD1 4.06Å; I100-F115 HydrophobicContact CD1-CG 4.08Å; I100-V116 CarbonylContact C-O 3.46Å; I100-V116 WeakPolarHBondContact CA-O 3.34Å; I100-C117 HydrophobicContact CG2-CB 4.36Å
101K98.9Very high98.3Very high67 Ų6734.5 Ų34.529%0.29118%0.177SC..EExtended strand (participates in β ladder)trans-89.1130.5169.3-174.1174.9-176.5175.40109.5D91 E92 L103 F115 V116D91-K101 WeakPolarHBondContact O-CA 3.28Å; E92-K101 HydrophobicContact CG-CB 4.08Å; E92-K101 HydrophobicContact CG-CG 4.17Å; K101-L103 HydrophobicContact CD-CD2 4.34Å; K101-L103 HydrophobicContact CG-CD2 4.31Å; K101-F115 CarbonylContact O-C 3.59Å; K101-F115 WeakPolarHBondContact O-CA 3.43Å; K101-V116 PolarHBondContact N-O 2.85Å; K101-V116 PolarHBondContact O-N 2.67Å
102A98.9Very high98.4Very high1 Ų131.7 Ų31.71%0.00816%0.163CC..EExtended strand (participates in β ladder)trans-89.6123.6179.500000109.8L87 G90 D91 M113 F115L87-A102 HydrophobicContact CB-CB 4.29Å; L87-A102 HydrophobicContact CD1-CB 4.11Å; G90-A102 PolarHBondContact N-O 2.87Å; D91-A102 HydrophobicContact CB-CB 4.5Å; D91-A102 WeakPolarHBondContact O-CB 3.48Å; D91-A102 PolarHBondContact O-N 3.45Å; A102-M113 HydrophobicContact CB-CE 3.5Å; A102-F115 HydrophobicContact CB-CD1 4.06Å; A102-F115 HydrophobicContact CB-CE1 3.96Å
103L98.9Very high98.4Very high18 Ų1827.2 Ų27.29%0.09414%0.142CC..EExtended strand (participates in β ladder)trans-112.5128.3173.8-56.3-177.6000108.7D89 K101 T105 M113 T114 V116 K154D89-L103 WeakPolarHBondContact OD1-CA 3.29Å; K101-L103 HydrophobicContact CD-CD2 4.34Å; K101-L103 HydrophobicContact CG-CD2 4.31Å; L103-T105 HydrophobicContact CB-CG2 4.49Å; L103-T105 PolarHBondContact O-N 2.98Å; L103-M113 CarbonylContact O-C 3.56Å; L103-M113 VanDerWaalsContact O-CA 3.26Å; L103-M113 WeakPolarHBondContact O-CA 3.26Å; L103-T114 PolarHBondContact N-O 2.82Å; L103-T114 PolarHBondContact O-N 3.34Å; L103-V116 HydrophobicContact CD1-CG2 3.58Å; L103-V116 HydrophobicContact CG-CG2 4.08Å; L103-K154 HydrophobicContact CD1-CB 4.28Å
104C98.8Very high98.4Very high19 Ų1926.6 Ų26.613%0.12814%0.138CC..EExtended strand (participates in β ladder)trans-70.7118.6171.6-74.70000109.4D89 P106 M113D89-C104 HydrophobicContact CB-CB 4.04Å; D89-C104 PolarHBondContact OD1-N 2.98Å; C104-P106 VanDerWaalsContact C-CD 3.4Å; C104-M113 HydrophobicContact CB-SD 4.26Å
105T98.9Very high98.4Very high0 Ų019.7 Ų19.70%011%0.108CC..  trans-128.258.7177.953.10000111.5L103 C112 T114 K154 I155L103-T105 HydrophobicContact CB-CG2 4.49Å; L103-T105 PolarHBondContact O-N 2.98Å; T105-C112 CarbonylContact C-O 3.45Å; T105-C112 PolarHBondContact N-O 3.17Å; T105-C112 WeakPolarHBondContact O-CB 3.45Å; T105-T114 WeakPolarHBondContact CG2-OG1 3.37Å; T105-T114 PolarHBondContact OG1-N 3.16Å; T105-T114 PolarHBondContact OG1-OG1 2.97Å; T105-T114 VanDerWaalsContact OG1-OG1 3.04Å; T105-K154 HydrophobicContact CG2-CB 3.74Å; T105-K154 HydrophobicContact CG2-CG 4.1Å; T105-I155 HydrophobicContact CG2-CD1 4.37Å; T105-I155 HydrophobicContact CG2-CG1 4.26Å
106P98.7Very high98.4Very high22 Ų2219.6 Ų19.614%0.14311%0.108CC..  trans-65.1155.4-178.330.9-38.4000112.5C104 T109 K146 S150C104-P106 VanDerWaalsContact C-CD 3.4Å; P106-T109 VanDerWaalsContact CA-O 3.26Å; P106-T109 WeakPolarHBondContact CA-O 3.45Å; P106-K146 CarbonylContact O-C 3.28Å; P106-S150 WeakPolarHBondContact CD-OG 3.26Å; P106-S150 WeakPolarHBondContact O-CB 3.03Å; P106-S150 PolarHBondContact O-OG 3.02Å
107G98.4Very high98.5Very high0 Ų018.4 Ų18.40%010%0.095CC..SBendtrans147.2-4317300000112.7T109 T137 G142 D143G107-T109 PolarHBondContact N-O 3.28Å; G107-T137 WeakPolarHBondContact O-CB 3.48Å; G107-T137 VanDerWaalsContact O-CG2 3.28Å; G107-T137 WeakPolarHBondContact O-CG2 3.43Å; G107-G142 CarbonylContact O-C 3.59Å; G107-G142 WeakPolarHBondContact O-CA 3.26Å; G107-D143 WeakPolarHBondContact CA-O 3.5Å; G107-D143 PolarHBondContact O-N 3.19Å
108H98.4Very high98.5Very high12 Ų1217.3 Ų17.36%0.0569%0.087CC..SBendtrans-67.6-49.2163.3171.254.4000110.1H52 D127 R136H52-H108 AromaticContact CD2-CD2 3.52Å; H52-H108 AromaticContact CD2-NE2 3.62Å; H52-H108 AromaticContact NE2-CD2 3.47Å; H52-H108 PolarHBondContact NE2-CD2 2.98Å; H52-H108 AromaticContact NE2-NE2 3.35Å; H52-H108 PolarHBondContact NE2-NE2 3.44Å; H108-D127 HydrophobicContact CB-CB 4.3Å; H108-D127 WeakPolarHBondContact CD2-CB 3.45Å; H108-D127 IonicContact NE2-OD2 3.39Å; H108-R136 WeakPolarHBondContact CA-O 3.34Å; H108-R136 PolarHBondContact ND1-O 3.4Å
109T98.4Very high98.5Very high6 Ų618.5 Ų18.54%0.0379%0.094CC..SBendtrans-132166.2163.2780000109.4P106 G107 G111 C112 Q140P106-T109 VanDerWaalsContact CA-O 3.26Å; P106-T109 WeakPolarHBondContact CA-O 3.45Å; G107-T109 PolarHBondContact N-O 3.28Å; T109-G111 PolarHBondContact O-N 2.88Å; T109-G111 PolarHBondContact OG1-N 3.15Å; T109-G111 VanDerWaalsContact OG1-N 3.14Å; T109-C112 PolarHBondContact N-SG 2.9Å; T109-C112 PolarHBondContact OG1-N 2.99Å; T109-C112 PolarHBondContact OG1-SG 3.25Å; T109-Q140 WeakPolarHBondContact CA-O 3.41Å; T109-Q140 HydrophobicContact CG2-CB 3.67Å; T109-Q140 HydrophobicContact CG2-CG 4.38Å
110N95.6Very high98.5Very high53 Ų5322.1 Ų22.128%0.28311%0.11SC..THydrogen-bonded Turntrans-66.1-20171.1-89-26.2000113.7K78 Q140 E141 K146K78-N110 WeakPolarHBondContact CB-O 3.39Å; N110-Q140 PolarHBondContact N-O 2.72Å; N110-E141 HydrophobicContact CB-CB 4.36Å; N110-E141 WeakPolarHBondContact ND2-CB 3.4Å; N110-K146 PolarHBondContact OD1-NZ 2.75Å
111G98Very high98.5Very high2 Ų228.6 Ų28.62%0.02113%0.134CC..THydrogen-bonded Turntrans-97.30.1-175.700000115.5T109 M113T109-G111 PolarHBondContact O-N 2.88Å; T109-G111 PolarHBondContact OG1-N 3.15Å; T109-G111 VanDerWaalsContact OG1-N 3.14Å; G111-M113 PolarHBondContact O-N 3.37Å
112C98.8Very high98.4Very high4 Ų427.5 Ų27.53%0.02713%0.131CC..  trans-61.9134.9-175.3-71.50000112.7T51 H52 T105 T109T51-C112 CarbonylContact O-C 3.52Å; T51-C112 WeakPolarHBondContact O-CA 3.25Å; H52-C112 HydrophobicContact CB-CB 4.41Å; H52-C112 VanDerWaalsContact CB-SG 3.59Å; T105-C112 CarbonylContact C-O 3.45Å; T105-C112 PolarHBondContact N-O 3.17Å; T105-C112 WeakPolarHBondContact O-CB 3.45Å; T109-C112 PolarHBondContact N-SG 2.9Å; T109-C112 PolarHBondContact OG1-N 2.99Å; T109-C112 PolarHBondContact OG1-SG 3.25Å
113M98.9Very high98.4Very high4 Ų427.4 Ų27.42%0.0213%0.13CC..EExtended strand (participates in β ladder)trans-123.5145.6175-57.7-63.5-70.600109.9T51 L87 A102 L103 C104 G111 F115T51-M113 PolarHBondContact O-N 3.46Å; L87-M113 HydrophobicContact CB-CE 4.41Å; A102-M113 HydrophobicContact CB-CE 3.5Å; L103-M113 CarbonylContact O-C 3.56Å; L103-M113 VanDerWaalsContact O-CA 3.26Å; L103-M113 WeakPolarHBondContact O-CA 3.26Å; C104-M113 HydrophobicContact CB-SD 4.26Å; G111-M113 PolarHBondContact O-N 3.37Å; M113-F115 HydrophobicContact CB-CE1 3.95Å; M113-F115 HydrophobicContact CB-CE2 4.39Å; M113-F115 HydrophobicContact CB-CZ 3.78Å; M113-F115 HydrophobicContact CG-CZ 4.4Å
114T99Very high98.5Very high0 Ų026.6 Ų26.60%013%0.126CC..EExtended strand (participates in β ladder)trans-106131.7162.1-690000108.5L103 T105 V116 A123 F124 T125 I155L103-T114 PolarHBondContact N-O 2.82Å; L103-T114 PolarHBondContact O-N 3.34Å; T105-T114 WeakPolarHBondContact CG2-OG1 3.37Å; T105-T114 PolarHBondContact OG1-N 3.16Å; T105-T114 PolarHBondContact OG1-OG1 2.97Å; T105-T114 VanDerWaalsContact OG1-OG1 3.04Å; T114-V116 HydrophobicContact CG2-CG2 4.07Å; T114-A123 HydrophobicContact CG2-CB 4.05Å; T114-F124 VanDerWaalsContact CA-O 3.29Å; T114-F124 WeakPolarHBondContact CA-O 3.47Å; T114-T125 HydrophobicContact CG2-CG2 4.21Å; T114-I155 HydrophobicContact CG2-CG1 4.34Å
115F98.9Very high98.5Very high0 Ų025.7 Ų25.70%012%0.12CC..EExtended strand (participates in β ladder)trans-103.8124.1177.4-59.8-60.1000110.5I24 T51 F74 L87 I100 K101 A102 M113 A123 F124I24-F115 HydrophobicContact CD1-CB 4.29Å; I24-F115 HydrophobicContact CD1-CD2 4.1Å; I24-F115 HydrophobicContact CG1-CD2 4.37Å; I24-F115 HydrophobicContact CG2-CD2 4.25Å; T51-F115 HydrophobicContact CG2-CD2 3.92Å; T51-F115 HydrophobicContact CG2-CE2 3.85Å; F74-F115 HydrophobicContact CD2-CE1 4.31Å; F74-F115 HydrophobicContact CD2-CE2 4.5Å; F74-F115 AromaticContact CD2-CZ 3.89Å; F74-F115 HydrophobicContact CD2-CZ 3.89Å; F74-F115 HydrophobicContact CE2-CD2 4.37Å; F74-F115 AromaticContact CE2-CE1 3.99Å; F74-F115 HydrophobicContact CE2-CE1 3.99Å; F74-F115 AromaticContact CE2-CE2 3.68Å; F74-F115 HydrophobicContact CE2-CE2 3.68Å; F74-F115 AromaticContact CE2-CZ 3.48Å; F74-F115 HydrophobicContact CE2-CZ 3.48Å; F74-F115 VanDerWaalsContact CE2-CZ 3.48Å; L87-F115 HydrophobicContact CD1-CE1 3.76Å; L87-F115 HydrophobicContact CD1-CZ 4.34Å; I100-F115 HydrophobicContact CB-CB 4.27Å; I100-F115 HydrophobicContact CD1-CB 4.18Å; I100-F115 HydrophobicContact CD1-CD1 4.06Å; I100-F115 HydrophobicContact CD1-CG 4.08Å; K101-F115 CarbonylContact O-C 3.59Å; K101-F115 WeakPolarHBondContact O-CA 3.43Å; A102-F115 HydrophobicContact CB-CD1 4.06Å; A102-F115 HydrophobicContact CB-CE1 3.96Å; M113-F115 HydrophobicContact CB-CE1 3.95Å; M113-F115 HydrophobicContact CB-CE2 4.39Å; M113-F115 HydrophobicContact CB-CZ 3.78Å; M113-F115 HydrophobicContact CG-CZ 4.4Å; F115-A123 CarbonylContact O-C 3.56Å; F115-A123 VanDerWaalsContact O-CA 3.28Å; F115-A123 WeakPolarHBondContact O-CA 3.48Å; F115-F124 HydrophobicContact CB-CB 4.37Å; F115-F124 HydrophobicContact CB-CD2 4.3Å; F115-F124 PolarHBondContact N-O 2.86Å; F115-F124 WeakPolarHBondContact O-CD2 3.4Å; F115-F124 PolarHBondContact O-N 2.77Å
116V98.9Very high98.5Very high0 Ų025.8 Ų25.80%012%0.121CC..EExtended strand (participates in β ladder)trans-113.6122.2-175.3-172.30000110.6I100 K101 L103 T114 M122 A123 L158 Y162I100-V116 CarbonylContact C-O 3.46Å; I100-V116 WeakPolarHBondContact CA-O 3.34Å; K101-V116 PolarHBondContact N-O 2.85Å; K101-V116 PolarHBondContact O-N 2.67Å; L103-V116 HydrophobicContact CD1-CG2 3.58Å; L103-V116 HydrophobicContact CG-CG2 4.08Å; T114-V116 HydrophobicContact CG2-CG2 4.07Å; V116-M122 CarbonylContact C-O 3.58Å; V116-M122 WeakPolarHBondContact CA-O 3.19Å; V116-A123 HydrophobicContact CG2-CB 4.03Å; V116-L158 HydrophobicContact CG1-CD2 4.12Å; V116-L158 HydrophobicContact CG2-CD1 4.18Å; V116-L158 HydrophobicContact CG2-CD2 4.4Å; V116-Y162 HydrophobicContact CG1-CD1 4.22Å; V116-Y162 HydrophobicContact CG1-CE1 3.78Å
117C98.7Very high98.5Very high2 Ų225.3 Ų25.31%0.01412%0.117CC..EExtended strand (participates in β ladder)trans-99.394.1168.6-175.40000108.5I100 Q119 E120 R121 M122I100-C117 HydrophobicContact CG2-CB 4.36Å; C117-Q119 VanDerWaalsContact C-N 3.28Å; C117-Q119 PolarHBondContact O-N 2.94Å; C117-E120 PolarHBondContact O-N 2.78Å; C117-R121 PolarHBondContact O-N 3Å; C117-M122 PolarHBondContact N-O 3.28Å; C117-M122 PolarHBondContact O-N 2.7Å; C117-M122 VanDerWaalsContact O-N 3.12Å
118H98.4Very high98.5Very high76 Ų7625.3 Ų25.335%0.35212%0.117SC..G310 helixtrans-64.7-34-176.5-74-63.8000112.7E120 R121 Y162H118-E120 PolarHBondContact O-N 2.71Å; H118-R121 PolarHBondContact O-N 2.95Å; H118-Y162 AromaticContact ND1-CE1 3.62Å; H118-Y162 AromaticContact ND1-CZ 3.69Å; H118-Y162 PolarHBondContact ND1-OH 2.68Å
119Q97.7Very high98.5Very high87 Ų8724.8 Ų24.841%0.40712%0.115SC..G310 helixtrans-59.7-32.5179.5-63.987.4-27.300112.2Y98 S99 C117Y98-Q119 HydrophobicContact CD1-CB 3.79Å; Y98-Q119 HydrophobicContact CD1-CG 4.23Å; Y98-Q119 HydrophobicContact CE1-CB 4.08Å; S99-Q119 VanDerWaalsContact N-NE2 3.19Å; S99-Q119 PolarHBondContact O-OE1 2.87Å; S99-Q119 PolarHBondContact OG-NE2 3.21Å; C117-Q119 VanDerWaalsContact C-N 3.28Å; C117-Q119 PolarHBondContact O-N 2.94Å
120E97.8Very high98.5Very high91 Ų9125.1 Ų25.143%0.42512%0.116SC..G310 helixtrans-109.92-179.1-64.2-63.615800112.8Y98 C117 H118 M122Y98-E120 HydrophobicContact CD1-CG 4.23Å; Y98-E120 HydrophobicContact CE1-CG 3.73Å; Y98-E120 WeakPolarHBondContact CE1-OE1 3.41Å; Y98-E120 VanDerWaalsContact CZ-OE1 3.27Å; Y98-E120 PolarHBondContact OH-OE1 2.98Å; C117-E120 PolarHBondContact O-N 2.78Å; H118-E120 PolarHBondContact O-N 2.71Å; E120-M122 HydrophobicContact CB-CG 4.07Å; E120-M122 HydrophobicContact CB-SD 3.77Å; E120-M122 WeakPolarHBondContact O-CG 3.42Å; E120-M122 PolarHBondContact O-N 2.92Å
121R98.6Very high98.7Very high136 Ų13623 Ų2351%0.51311%0.105SC..THydrogen-bonded Turntrans55.347-177.3-56.2175.4-73.2-174.8-5.9112.7C117 H118 D161 Y162 I163C117-R121 PolarHBondContact O-N 3Å; H118-R121 PolarHBondContact O-N 2.95Å; R121-D161 VanDerWaalsContact CD-OD2 3.23Å; R121-D161 WeakPolarHBondContact CD-OD2 3.35Å; R121-D161 IonicContact CZ-OD2 3.62Å; R121-D161 IonicContact NE-OD2 3.75Å; R121-D161 IonicContact NH1-OD2 2.8Å; R121-D161 PolarHBondContact NH1-OD2 3.37Å; R121-Y162 HydrophobicContact CB-CD2 3.67Å; R121-Y162 HydrophobicContact CB-CE2 3.69Å; R121-Y162 HydrophobicContact CB-CG 4.1Å; R121-Y162 HydrophobicContact CG-CD2 4.09Å; R121-Y162 HydrophobicContact CG-CE2 3.65Å; R121-Y162 CarbonylContact O-C 3.5Å; R121-Y162 VanDerWaalsContact O-CA 3.26Å; R121-Y162 WeakPolarHBondContact O-CA 3.4Å; R121-I163 PolarHBondContact O-N 2.76Å
122M98.7Very high98.7Very high44 Ų4426.1 Ų26.122%0.21712%0.116CC..EExtended strand (participates in β ladder)trans-123.8146.3-178.6-59.8168.86600111V116 C117 E120 F124 I163 F165V116-M122 CarbonylContact C-O 3.58Å; V116-M122 WeakPolarHBondContact CA-O 3.19Å; C117-M122 PolarHBondContact N-O 3.28Å; C117-M122 PolarHBondContact O-N 2.7Å; C117-M122 VanDerWaalsContact O-N 3.12Å; E120-M122 HydrophobicContact CB-CG 4.07Å; E120-M122 HydrophobicContact CB-SD 3.77Å; E120-M122 WeakPolarHBondContact O-CG 3.42Å; E120-M122 PolarHBondContact O-N 2.92Å; M122-F124 HydrophobicContact CE-CE1 4.21Å; M122-F124 HydrophobicContact CE-CZ 3.67Å; M122-I163 CarbonylContact C-O 3.6Å; M122-I163 WeakPolarHBondContact CA-O 3.41Å; M122-F165 HydrophobicContact CB-CD2 4.31Å; M122-F165 HydrophobicContact CB-CE2 4.15Å; M122-F165 HydrophobicContact CE-CD2 3.74Å; M122-F165 HydrophobicContact CE-CE2 3.18Å; M122-F165 HydrophobicContact CE-CZ 3.67Å; M122-F165 HydrophobicContact CG-CE2 3.91Å; M122-F165 HydrophobicContact SD-CE2 4.28Å
123A98.9Very high98.6Very high0 Ų026.9 Ų26.90%012%0.123CC..EExtended strand (participates in β ladder)trans-133.5136.4167.800000111.6T114 F115 V116 L158 I163 L164 F165T114-A123 HydrophobicContact CG2-CB 4.05Å; F115-A123 CarbonylContact O-C 3.56Å; F115-A123 VanDerWaalsContact O-CA 3.28Å; F115-A123 WeakPolarHBondContact O-CA 3.48Å; V116-A123 HydrophobicContact CG2-CB 4.03Å; A123-L158 HydrophobicContact CB-CD1 3.88Å; A123-I163 PolarHBondContact N-O 3.19Å; A123-L164 HydrophobicContact CB-CD2 3.81Å; A123-L164 WeakPolarHBondContact O-CA 3.35Å; A123-F165 PolarHBondContact O-N 2.86Å
124F98.9Very high98.6Very high1 Ų127 Ų270%0.00412%0.123CC..EExtended strand (participates in β ladder)trans-100.9105.1175.4-54.5-86000107.9Y11 L13 I24 T114 F115 M122 F165Y11-F124 HydrophobicContact CD1-CD1 4.02Å; Y11-F124 AromaticContact CD1-CE1 3.69Å; Y11-F124 HydrophobicContact CD1-CE1 3.69Å; Y11-F124 AromaticContact CD2-CD1 3.47Å; Y11-F124 HydrophobicContact CD2-CD1 3.47Å; Y11-F124 VanDerWaalsContact CD2-CD1 3.47Å; Y11-F124 AromaticContact CD2-CE1 3.97Å; Y11-F124 HydrophobicContact CD2-CE1 3.97Å; Y11-F124 HydrophobicContact CE1-CD1 4.46Å; Y11-F124 HydrophobicContact CE1-CE1 4.36Å; Y11-F124 AromaticContact CE2-CD1 3.94Å; Y11-F124 HydrophobicContact CE2-CD1 3.94Å; Y11-F124 AromaticContact CG-CD1 3.5Å; Y11-F124 HydrophobicContact CG-CD1 3.5Å; Y11-F124 VanDerWaalsContact CG-CD1 3.5Å; Y11-F124 AromaticContact CG-CE1 3.46Å; Y11-F124 HydrophobicContact CG-CE1 3.46Å; Y11-F124 VanDerWaalsContact CG-CE1 3.46Å; L13-F124 HydrophobicContact CD1-CE1 4.07Å; L13-F124 HydrophobicContact CD1-CE2 4.08Å; L13-F124 HydrophobicContact CD1-CZ 3.59Å; L13-F124 HydrophobicContact CD2-CE2 3.64Å; L13-F124 HydrophobicContact CD2-CZ 3.72Å; L13-F124 HydrophobicContact CG-CE2 4.36Å; L13-F124 HydrophobicContact CG-CZ 3.97Å; I24-F124 HydrophobicContact CD1-CB 4.06Å; I24-F124 HydrophobicContact CD1-CD1 4.19Å; I24-F124 HydrophobicContact CD1-CD2 3.58Å; I24-F124 HydrophobicContact CD1-CE2 4.12Å; I24-F124 HydrophobicContact CD1-CG 3.64Å; T114-F124 VanDerWaalsContact CA-O 3.29Å; T114-F124 WeakPolarHBondContact CA-O 3.47Å; F115-F124 HydrophobicContact CB-CB 4.37Å; F115-F124 HydrophobicContact CB-CD2 4.3Å; F115-F124 PolarHBondContact N-O 2.86Å; F115-F124 WeakPolarHBondContact O-CD2 3.4Å; F115-F124 PolarHBondContact O-N 2.77Å; M122-F124 HydrophobicContact CE-CE1 4.21Å; M122-F124 HydrophobicContact CE-CZ 3.67Å; F124-F165 CarbonylContact C-O 3.55Å; F124-F165 VanDerWaalsContact CA-O 3.26Å; F124-F165 WeakPolarHBondContact CA-O 3.29Å; F124-F165 HydrophobicContact CD1-CB 3.61Å; F124-F165 HydrophobicContact CD1-CG 4.28Å; F124-F165 HydrophobicContact CE1-CB 3.94Å; F124-F165 HydrophobicContact CE1-CD2 4.17Å; F124-F165 HydrophobicContact CE1-CG 4.09Å; F124-F165 HydrophobicContact CG-CB 4.45Å
125T98.9Very high98.5Very high0 Ų027.1 Ų27.10%013%0.125CC..EExtended strand (participates in β ladder)trans-92.4-1.3-163.351.10000113.9T114 D127 A128 L129 I155 L164 F165T114-T125 HydrophobicContact CG2-CG2 4.21Å; T125-D127 PolarHBondContact O-N 3.21Å; T125-A128 WeakPolarHBondContact O-CB 3.36Å; T125-A128 PolarHBondContact O-N 3.31Å; T125-A128 VanDerWaalsContact O-N 3.08Å; T125-L129 HydrophobicContact CG2-CB 4.32Å; T125-L129 PolarHBondContact OG1-O 2.95Å; T125-I155 HydrophobicContact CG2-CD1 3.92Å; T125-I155 HydrophobicContact CG2-CG1 4.44Å; T125-I155 HydrophobicContact CG2-CG2 4.17Å; T125-L164 HydrophobicContact CG2-CB 4.29Å; T125-L164 HydrophobicContact CG2-CD2 4.07Å; T125-F165 PolarHBondContact N-O 2.9Å; T125-F165 PolarHBondContact OG1-O 3.08Å
126G98.8Very high98.5Very high2 Ų229 Ų292%0.02113%0.132CC..EExtended strand (participates in β ladder)trans48-133.4-171.100000110.1T51 G167T51-G126 WeakPolarHBondContact OG1-CA 3.48Å; G126-G167 PolarHBondContact O-N 3.43Å
127D98.7Very high98.4Very high11 Ų1129.7 Ų29.76%0.05914%0.136CC..THydrogen-bonded Turntrans-97.77.6177.6-799.7000113.8H52 H108 T125 G135 H168H52-D127 IonicContact NE2-OD2 2.93Å; H108-D127 HydrophobicContact CB-CB 4.3Å; H108-D127 WeakPolarHBondContact CD2-CB 3.45Å; H108-D127 IonicContact NE2-OD2 3.39Å; T125-D127 PolarHBondContact O-N 3.21Å; D127-G135 WeakPolarHBondContact O-CA 3.42Å; D127-G135 PolarHBondContact O-N 3.04Å; D127-H168 VanDerWaalsContact CG-ND1 3.29Å; D127-H168 IonicContact OD1-CE1 3.76Å; D127-H168 IonicContact OD1-CG 2.94Å; D127-H168 IonicContact OD1-ND1 3.82Å; D127-H168 PolarHBondContact OD1-ND1 3.46Å; D127-H168 IonicContact OD2-CE1 2.66Å; D127-H168 PolarHBondContact OD2-CE1 2.88Å; D127-H168 IonicContact OD2-ND1 2.7Å; D127-H168 PolarHBondContact OD2-ND1 3.35Å; D127-H168 VanDerWaalsContact OD2-ND1 3.11Å
128A98.7Very high98.3Very high1 Ų133.9 Ų33.91%0.00816%0.159CC..THydrogen-bonded Turntrans-67.5-44.7172.600000110.8T125 L147 I155T125-A128 WeakPolarHBondContact O-CB 3.36Å; T125-A128 PolarHBondContact O-N 3.31Å; T125-A128 VanDerWaalsContact O-N 3.08Å; A128-L147 HydrophobicContact CB-CD1 4.08Å; A128-L147 WeakPolarHBondContact O-CD1 3.21Å; A128-I155 HydrophobicContact CB-CD1 4.26Å
129L98.8Very high98.1Very high1 Ų133.3 Ų33.31%0.00516%0.155CC..SBendtrans-129.4131.2173-176.4149.7000109.7T125 V151 I155 F156 L164 T176 E181 L188T125-L129 HydrophobicContact CG2-CB 4.32Å; T125-L129 PolarHBondContact OG1-O 2.95Å; L129-V151 HydrophobicContact CD1-CG1 4.02Å; L129-I155 HydrophobicContact CB-CD1 3.98Å; L129-I155 HydrophobicContact CD1-CG2 4.18Å; L129-F156 HydrophobicContact CD1-CD1 4.48Å; L129-F156 HydrophobicContact CD1-CE1 3.66Å; L129-F156 HydrophobicContact CD1-CZ 4.29Å; L129-L164 HydrophobicContact CD1-CD1 4.16Å; L129-L164 HydrophobicContact CD2-CD1 3.92Å; L129-T176 HydrophobicContact CD2-CG2 4.33Å; L129-E181 HydrophobicContact CD1-CB 4.02Å; L129-E181 HydrophobicContact CD1-CG 4.2Å; L129-E181 HydrophobicContact CD2-CG 3.95Å; L129-L188 HydrophobicContact CD1-CD1 4.04Å; L129-L188 HydrophobicContact CG-CD1 4.21Å
130L98.8Very high97.9Very high13 Ų1330.5 Ų30.57%0.06814%0.142CC..BIsolated β-bridgetrans-115.9165.1172.4-56.4-178.7000109.2R132 A133 P166 H168L130-R132 PolarHBondContact O-N 3.34Å; L130-R132 VanDerWaalsContact O-N 3.12Å; L130-A133 HydrophobicContact CB-CB 3.93Å; L130-A133 PolarHBondContact N-O 3.49Å; L130-A133 CarbonylContact O-C 3.45Å; L130-A133 PolarHBondContact O-N 3.22Å; L130-A133 VanDerWaalsContact O-N 3.11Å; L130-P166 HydrophobicContact CD2-CB 3.76Å; L130-H168 HydrophobicContact CD2-CB 4.49Å
131I98.7Very high97.8Very high8 Ų832.6 Ų32.64%0.04115%0.152CC..THydrogen-bonded Turntrans-67.6115.7-179.1-59.3164.2000109.6A133 P166 L173 T176I131-A133 PolarHBondContact O-N 2.8Å; I131-P166 HydrophobicContact CD1-CG 3.98Å; I131-P166 HydrophobicContact CG1-CG 4Å; I131-L173 HydrophobicContact CB-CD1 4.47Å; I131-L173 HydrophobicContact CD1-CB 3.63Å; I131-L173 VanDerWaalsContact CD1-O 3.29Å; I131-L173 WeakPolarHBondContact CD1-O 3.44Å; I131-L173 HydrophobicContact CG2-CB 4.16Å; I131-L173 HydrophobicContact CG2-CD1 3.6Å; I131-T176 HydrophobicContact CG1-CG2 3.92Å
132R98.5Very high97.7Very high68 Ų6827.1 Ų27.126%0.25714%0.138SC..THydrogen-bonded Turntrans53.829.9-173-49.3-60-173-95.1-2.9113.4L130 T176 E180 E181 P186L130-R132 PolarHBondContact O-N 3.34Å; L130-R132 VanDerWaalsContact O-N 3.12Å; R132-T176 PolarHBondContact NH1-OG1 3.35Å; R132-E180 IonicContact CZ-OE2 3.45Å; R132-E180 IonicContact NH1-OE2 3.59Å; R132-E180 IonicContact NH2-OE2 3.56Å; R132-E180 PolarHBondContact NH2-OE2 3.07Å; R132-E181 WeakPolarHBondContact CA-OE2 3.47Å; R132-E181 IonicContact CZ-OE1 3.42Å; R132-E181 PolarHBondContact N-OE1 3.35Å; R132-E181 PolarHBondContact N-OE2 2.73Å; R132-E181 VanDerWaalsContact N-OE2 3.09Å; R132-E181 IonicContact NH1-OE1 2.78Å; R132-E181 PolarHBondContact NH1-OE1 3.04Å; R132-P186 WeakPolarHBondContact O-CD 3.19Å; R132-P186 WeakPolarHBondContact O-CG 3.26Å
133A97.8Very high97.7Very high20 Ų2027.7 Ų27.717%0.16514%0.142CC..BIsolated β-bridgetrans-159.8-168.9-178.800000111.7L130 I131 N185L130-A133 HydrophobicContact CB-CB 3.93Å; L130-A133 PolarHBondContact N-O 3.49Å; L130-A133 CarbonylContact O-C 3.45Å; L130-A133 PolarHBondContact O-N 3.22Å; L130-A133 VanDerWaalsContact O-N 3.11Å; I131-A133 PolarHBondContact O-N 2.8Å; A133-N185 PolarHBondContact N-ND2 3.09Å; A133-N185 PolarHBondContact O-ND2 2.98Å
134C98.4Very high97.7Very high5 Ų527.9 Ų27.93%0.03414%0.144CC..  trans-151.7162.8168.164.80000108.2L147 R187 L188 M199C134-L147 HydrophobicContact CB-CD2 4.06Å; C134-R187 PolarHBondContact O-NH1 3.42Å; C134-L188 HydrophobicContact CB-CD1 4.06Å; C134-L188 HydrophobicContact CB-CG 4.44Å; C134-M199 VanDerWaalsContact SG-SD 3.62Å
135G97.6Very high97.6Very high4 Ų429.9 Ų29.94%0.04116%0.16CC..  trans-61.8158.9171.300000112.2D127 M199D127-G135 WeakPolarHBondContact O-CA 3.42Å; D127-G135 PolarHBondContact O-N 3.04Å; G135-M199 WeakPolarHBondContact O-CE 3.49Å
136R97.5Very high97.6Very high40 Ų4033.9 Ų33.915%0.15118%0.178CC..  trans-68.2161.7173.270-169.6-61.2160.31.4110.9H108 D138 F139 L204 S205H108-R136 WeakPolarHBondContact CA-O 3.34Å; H108-R136 PolarHBondContact ND1-O 3.4Å; R136-D138 WeakPolarHBondContact CB-OD1 3.45Å; R136-D138 WeakPolarHBondContact CG-OD1 3.23Å; R136-D138 IonicContact CZ-OD1 3.52Å; R136-D138 IonicContact CZ-OD2 3.25Å; R136-D138 IonicContact NE-OD1 3.55Å; R136-D138 PolarHBondContact NE-OD1 3.1Å; R136-D138 IonicContact NE-OD2 3.16Å; R136-D138 IonicContact NH2-OD1 2.69Å; R136-D138 PolarHBondContact NH2-OD1 2.89Å; R136-D138 IonicContact NH2-OD2 3.36Å; R136-D138 PolarHBondContact NH2-OD2 3.15Å; R136-F139 VanDerWaalsContact NH2-CE2 3.25Å; R136-L204 HydrophobicContact CB-CD1 3.89Å; R136-L204 PolarHBondContact NH2-O 3.39Å; R136-S205 PolarHBondContact NH1-O 3.42Å; R136-S205 PolarHBondContact NH2-O 3.03Å
137T97.6Very high97.6Very high13 Ų1333.8 Ų33.88%0.0818%0.177CC..  trans-133.720.7-174.260.90000113.4G107 G142 L147 M199G107-T137 WeakPolarHBondContact O-CB 3.48Å; G107-T137 VanDerWaalsContact O-CG2 3.28Å; G107-T137 WeakPolarHBondContact O-CG2 3.43Å; T137-G142 CarbonylContact O-C 3.07Å; T137-G142 WeakPolarHBondContact O-CA 3.35Å; T137-L147 HydrophobicContact CG2-CB 4.05Å; T137-L147 HydrophobicContact CG2-CD2 3.36Å; T137-L147 HydrophobicContact CG2-CG 4.33Å; T137-M199 HydrophobicContact CG2-CE 3.98Å
138D95.9Very high97.6Very high91 Ų9135.1 Ų35.149%0.48718%0.181SC..SBendtrans-106.33-172.559.5-37.5000113.6R136R136-D138 WeakPolarHBondContact CB-OD1 3.45Å; R136-D138 WeakPolarHBondContact CG-OD1 3.23Å; R136-D138 IonicContact CZ-OD1 3.52Å; R136-D138 IonicContact CZ-OD2 3.25Å; R136-D138 IonicContact NE-OD1 3.55Å; R136-D138 PolarHBondContact NE-OD1 3.1Å; R136-D138 IonicContact NE-OD2 3.16Å; R136-D138 IonicContact NH2-OD1 2.69Å; R136-D138 PolarHBondContact NH2-OD1 2.89Å; R136-D138 IonicContact NH2-OD2 3.36Å; R136-D138 PolarHBondContact NH2-OD2 3.15Å
139F94.5Very high97.6Very high64 Ų6440 Ų4028%0.28121%0.207SC..SBendtrans-133.1168.5176.5-73.1-89.6000110.5R136 E141 G142 K206 I210R136-F139 VanDerWaalsContact NH2-CE2 3.25Å; F139-E141 VanDerWaalsContact C-N 3.28Å; F139-E141 PolarHBondContact O-N 3.22Å; F139-G142 WeakPolarHBondContact O-CA 3.47Å; F139-G142 PolarHBondContact O-N 3.22Å; F139-K206 HydrophobicContact CE1-CG 4.25Å; F139-K206 HydrophobicContact CZ-CB 4.38Å; F139-K206 HydrophobicContact CZ-CG 4.07Å; F139-I210 HydrophobicContact CB-CD1 4.01Å; F139-I210 HydrophobicContact CD1-CD1 3.47Å; F139-I210 VanDerWaalsContact CD1-CD1 3.47Å; F139-I210 HydrophobicContact CE1-CD1 4.15Å; F139-I210 HydrophobicContact CG-CD1 3.86Å
140Q93.9Very high97.6Very high28 Ų2840.3 Ų40.313%0.13121%0.209CC..THydrogen-bonded Turntrans50.945.8171.8-60.8176.9-88.100113.5A53 T109 N110 G142 V214A53-Q140 PolarHBondContact O-NE2 2.84Å; T109-Q140 WeakPolarHBondContact CA-O 3.41Å; T109-Q140 HydrophobicContact CG2-CB 3.67Å; T109-Q140 HydrophobicContact CG2-CG 4.38Å; N110-Q140 PolarHBondContact N-O 2.72Å; Q140-G142 PolarHBondContact O-N 3.11Å; Q140-G142 VanDerWaalsContact O-N 3.12Å; Q140-V214 HydrophobicContact CG-CG2 4.33Å
141E95.8Very high97.6Very high134 Ų13439.7 Ų39.763%0.62621%0.206SC*.THydrogen-bonded Turntrans55.227.7-176.8-51.375.7-131.300114N110 F139N110-E141 HydrophobicContact CB-CB 4.36Å; N110-E141 WeakPolarHBondContact ND2-CB 3.4Å; F139-E141 VanDerWaalsContact C-N 3.28Å; F139-E141 PolarHBondContact O-N 3.22Å
142G96.4Very high97.6Very high21 Ų2142.6 Ų42.622%0.21622%0.219CC..  trans-60.3153.2175.200000113G107 T137 F139 Q140G107-G142 CarbonylContact O-C 3.59Å; G107-G142 WeakPolarHBondContact O-CA 3.26Å; T137-G142 CarbonylContact O-C 3.07Å; T137-G142 WeakPolarHBondContact O-CA 3.35Å; F139-G142 WeakPolarHBondContact O-CA 3.47Å; F139-G142 PolarHBondContact O-N 3.22Å; Q140-G142 PolarHBondContact O-N 3.11Å; Q140-G142 VanDerWaalsContact O-N 3.12Å
143D98.2Very high97.6Very high56 Ų5641.9 Ų41.930%0.29923%0.225SC..  trans-155.4118.3-176.6-178.5-40.6000109.2G107 A145 K146 L147G107-D143 WeakPolarHBondContact CA-O 3.5Å; G107-D143 PolarHBondContact O-N 3.19Å; D143-A145 PolarHBondContact O-N 3.42Å; D143-A145 WeakPolarHBondContact OD1-CA 3.32Å; D143-A145 WeakPolarHBondContact OD1-CB 3.3Å; D143-A145 PolarHBondContact OD1-N 3.08Å; D143-K146 HydrophobicContact CB-CB 3.97Å; D143-K146 HydrophobicContact CB-CD 3.84Å; D143-K146 HydrophobicContact CB-CG 3.9Å; D143-K146 PolarHBondContact O-N 3.2Å; D143-K146 PolarHBondContact OD1-N 2.77Å; D143-L147 WeakPolarHBondContact O-CB 3.41Å; D143-L147 PolarHBondContact O-N 3.3Å
144A98.4Very high97.7Very high5 Ų543.6 Ų43.64%0.04123%0.228CC..Hα-helixtrans-63.3-39.1-179.500000112.5K146 L147 Y148 F195 V196 M199A144-K146 PolarHBondContact O-N 2.93Å; A144-L147 PolarHBondContact O-N 3.39Å; A144-Y148 WeakPolarHBondContact O-CB 3.42Å; A144-Y148 PolarHBondContact O-N 3.08Å; A144-F195 HydrophobicContact CB-CD1 4.38Å; A144-F195 HydrophobicContact CB-CE1 3.94Å; A144-F195 WeakPolarHBondContact O-CE1 3.48Å; A144-V196 HydrophobicContact CB-CB 4.43Å; A144-V196 HydrophobicContact CB-CG1 4.47Å; A144-V196 HydrophobicContact CB-CG2 4.03Å; A144-M199 HydrophobicContact CB-CB 3.85Å; A144-M199 HydrophobicContact CB-CG 4.16Å
145A98.5Very high97.7Very high42 Ų4243.3 Ų43.335%0.34723%0.227SC..Hα-helixtrans-66.7-41.1179.200000111.2D143 Y148 D149 L192 V196D143-A145 PolarHBondContact O-N 3.42Å; D143-A145 WeakPolarHBondContact OD1-CA 3.32Å; D143-A145 WeakPolarHBondContact OD1-CB 3.3Å; D143-A145 PolarHBondContact OD1-N 3.08Å; A145-Y148 PolarHBondContact O-N 3.34Å; A145-D149 PolarHBondContact O-N 2.66Å; A145-L192 HydrophobicContact CB-CD1 4.29Å; A145-V196 HydrophobicContact CB-CG2 4.21Å
146K98.4Very high97.8Very high85 Ų8544 Ų4437%0.3723%0.228SC..Hα-helixtrans-64.6-39.1173-66.9-178-164.8157.90112.4P106 N110 D143 A144 Y148 D149 S150P106-K146 CarbonylContact O-C 3.28Å; N110-K146 PolarHBondContact OD1-NZ 2.75Å; D143-K146 HydrophobicContact CB-CB 3.97Å; D143-K146 HydrophobicContact CB-CD 3.84Å; D143-K146 HydrophobicContact CB-CG 3.9Å; D143-K146 PolarHBondContact O-N 3.2Å; D143-K146 PolarHBondContact OD1-N 2.77Å; A144-K146 PolarHBondContact O-N 2.93Å; K146-Y148 VanDerWaalsContact C-N 3.34Å; K146-D149 PolarHBondContact O-N 2.73Å; K146-S150 VanDerWaalsContact O-CB 3.29Å; K146-S150 WeakPolarHBondContact O-CB 3.42Å; K146-S150 PolarHBondContact O-N 3.25Å; K146-S150 PolarHBondContact O-OG 3.25Å
147L98.8Very high97.8Very high0 Ų045.9 Ų45.90%025%0.248CC..Hα-helixtrans-60.5-47.7177.1-176.957.1000110.8A128 C134 T137 D143 A144 S150 V151 F195A128-L147 HydrophobicContact CB-CD1 4.08Å; A128-L147 WeakPolarHBondContact O-CD1 3.21Å; C134-L147 HydrophobicContact CB-CD2 4.06Å; T137-L147 HydrophobicContact CG2-CB 4.05Å; T137-L147 HydrophobicContact CG2-CD2 3.36Å; T137-L147 HydrophobicContact CG2-CG 4.33Å; D143-L147 WeakPolarHBondContact O-CB 3.41Å; D143-L147 PolarHBondContact O-N 3.3Å; A144-L147 PolarHBondContact O-N 3.39Å; L147-S150 PolarHBondContact O-N 3.29Å; L147-V151 HydrophobicContact CD1-CG2 4.21Å; L147-V151 WeakPolarHBondContact O-CG2 3.43Å; L147-V151 PolarHBondContact O-N 3.05Å; L147-F195 HydrophobicContact CD2-CZ 4.04Å; L147-F195 HydrophobicContact CG-CZ 4.35Å
148Y98.8Very high97.9Very high38 Ų3846.1 Ų46.115%0.14925%0.248CC..Hα-helixtrans-58.4-50.6178.1-170.5-86.9000111.4A144 A145 K146 S150 V151 H152 L190 L192 F195A144-Y148 WeakPolarHBondContact O-CB 3.42Å; A144-Y148 PolarHBondContact O-N 3.08Å; A145-Y148 PolarHBondContact O-N 3.34Å; K146-Y148 VanDerWaalsContact C-N 3.34Å; Y148-S150 PolarHBondContact O-N 2.92Å; Y148-V151 PolarHBondContact O-N 3.45Å; Y148-H152 AromaticContact CD1-CD2 3.83Å; Y148-H152 AromaticContact CE1-CD2 3.62Å; Y148-H152 AromaticContact CE1-CG 3.99Å; Y148-H152 AromaticContact CE1-NE2 3.71Å; Y148-H152 AromaticContact CE2-CD2 3.92Å; Y148-H152 AromaticContact CE2-NE2 3.49Å; Y148-H152 WeakPolarHBondContact CE2-NE2 3.36Å; Y148-H152 AromaticContact CZ-CD2 3.68Å; Y148-H152 AromaticContact CZ-CE1 3.76Å; Y148-H152 AromaticContact CZ-NE2 3.28Å; Y148-H152 VanDerWaalsContact CZ-NE2 3.28Å; Y148-H152 WeakPolarHBondContact O-CB 3.17Å; Y148-H152 PolarHBondContact O-CD2 3.11Å; Y148-H152 VanDerWaalsContact O-CD2 3.3Å; Y148-H152 PolarHBondContact O-N 2.73Å; Y148-L190 WeakPolarHBondContact CE2-O 3.35Å; Y148-L190 PolarHBondContact OH-O 3.43Å; Y148-L192 HydrophobicContact CD1-CB 4.11Å; Y148-L192 HydrophobicContact CD1-CD1 3.68Å; Y148-L192 HydrophobicContact CD1-CG 4.41Å; Y148-L192 HydrophobicContact CD2-CD1 4.33Å; Y148-L192 HydrophobicContact CE1-CB 3.94Å; Y148-L192 HydrophobicContact CE1-CD1 4.39Å; Y148-L192 HydrophobicContact CG-CD1 3.62Å; Y148-F195 HydrophobicContact CD2-CB 3.79Å; Y148-F195 AromaticContact CD2-CD1 3.69Å; Y148-F195 HydrophobicContact CD2-CD1 3.69Å; Y148-F195 HydrophobicContact CD2-CD2 4.28Å; Y148-F195 HydrophobicContact CD2-CE1 4.35Å; Y148-F195 AromaticContact CD2-CG 3.64Å; Y148-F195 HydrophobicContact CD2-CG 3.64Å; Y148-F195 HydrophobicContact CE2-CB 4.04Å; Y148-F195 HydrophobicContact CE2-CG 4.3Å; Y148-F195 HydrophobicContact CG-CD1 4.21Å
149D98.7Very high98Very high105 Ų10544.7 Ų44.756%0.56124%0.244SC*.Hα-helixtrans-60.4-44.4178.5-175.555.4000111.8A145 K146 V151 H152 S153A145-D149 PolarHBondContact O-N 2.66Å; K146-D149 PolarHBondContact O-N 2.73Å; D149-V151 PolarHBondContact O-N 3.16Å; D149-H152 PolarHBondContact O-N 2.79Å; D149-S153 WeakPolarHBondContact O-CB 3.37Å; D149-S153 PolarHBondContact O-N 3.44Å; D149-S153 PolarHBondContact O-OG 3.33Å
150S98.8Very high98.2Very high6 Ų647.2 Ų47.24%0.04226%0.255CS..Hα-helixtrans-58.9-49.3176.7-71.10000112.5P106 K146 L147 Y148 K154P106-S150 WeakPolarHBondContact CD-OG 3.26Å; P106-S150 WeakPolarHBondContact O-CB 3.03Å; P106-S150 PolarHBondContact O-OG 3.02Å; K146-S150 VanDerWaalsContact O-CB 3.29Å; K146-S150 WeakPolarHBondContact O-CB 3.42Å; K146-S150 PolarHBondContact O-N 3.25Å; K146-S150 PolarHBondContact O-OG 3.25Å; L147-S150 PolarHBondContact O-N 3.29Å; Y148-S150 PolarHBondContact O-N 2.92Å; S150-K154 VanDerWaalsContact O-CB 3.23Å; S150-K154 WeakPolarHBondContact O-CB 3.44Å; S150-K154 PolarHBondContact O-N 3.27Å
151V98.9Very high98.4Very high0 Ų049.7 Ų49.70%027%0.269CS..Iπ-helixtrans-63-49179.9172.20000110.3L129 L147 Y148 D149 I155 F156 L188L129-V151 HydrophobicContact CD1-CG1 4.02Å; L147-V151 HydrophobicContact CD1-CG2 4.21Å; L147-V151 WeakPolarHBondContact O-CG2 3.43Å; L147-V151 PolarHBondContact O-N 3.05Å; Y148-V151 PolarHBondContact O-N 3.45Å; D149-V151 PolarHBondContact O-N 3.16Å; V151-I155 HydrophobicContact CG2-CD1 4.25Å; V151-I155 WeakPolarHBondContact O-CA 3.14Å; V151-I155 WeakPolarHBondContact O-CB 3.31Å; V151-I155 PolarHBondContact O-N 2.83Å; V151-F156 HydrophobicContact CG1-CD1 4.03Å; V151-F156 HydrophobicContact CG1-CD2 4.13Å; V151-F156 HydrophobicContact CG1-CE1 3.87Å; V151-F156 HydrophobicContact CG1-CE2 3.97Å; V151-F156 HydrophobicContact CG1-CG 4.17Å; V151-F156 HydrophobicContact CG1-CZ 3.85Å; V151-F156 PolarHBondContact O-N 2.82Å; V151-L188 HydrophobicContact CB-CD1 4.48Å; V151-L188 HydrophobicContact CB-CD2 4.11Å; V151-L188 HydrophobicContact CG1-CD1 3.84Å; V151-L188 HydrophobicContact CG1-CD2 4.14Å; V151-L188 HydrophobicContact CG1-CG 4.39Å; V151-L188 HydrophobicContact CG2-CD1 4.17Å; V151-L188 HydrophobicContact CG2-CD2 4.04Å
152H98.8Very high98.6Very high69 Ų6944.3 Ų44.332%0.31924%0.243SC..Iπ-helixtrans-66.4-42.6-176.6-84.5-103000112.7Y148 D149 F156 L188Y148-H152 AromaticContact CD1-CD2 3.83Å; Y148-H152 AromaticContact CE1-CD2 3.62Å; Y148-H152 AromaticContact CE1-CG 3.99Å; Y148-H152 AromaticContact CE1-NE2 3.71Å; Y148-H152 AromaticContact CE2-CD2 3.92Å; Y148-H152 AromaticContact CE2-NE2 3.49Å; Y148-H152 WeakPolarHBondContact CE2-NE2 3.36Å; Y148-H152 AromaticContact CZ-CD2 3.68Å; Y148-H152 AromaticContact CZ-CE1 3.76Å; Y148-H152 AromaticContact CZ-NE2 3.28Å; Y148-H152 VanDerWaalsContact CZ-NE2 3.28Å; Y148-H152 WeakPolarHBondContact O-CB 3.17Å; Y148-H152 PolarHBondContact O-CD2 3.11Å; Y148-H152 VanDerWaalsContact O-CD2 3.3Å; Y148-H152 PolarHBondContact O-N 2.73Å; D149-H152 PolarHBondContact O-N 2.79Å; H152-F156 AromaticContact CE1-CD2 3.92Å; H152-F156 AromaticContact ND1-CD2 3.96Å; H152-F156 AromaticContact NE2-CD2 3.97Å; H152-F156 AromaticContact NE2-CE2 3.85Å; H152-L188 PolarHBondContact NE2-O 2.82Å
153S98.6Very high98.7Very high54 Ų5446.4 Ų46.438%0.37825%0.249SC..Iπ-helixtrans-83.1-26.8-175.367.50000114.2D149 S157D149-S153 WeakPolarHBondContact O-CB 3.37Å; D149-S153 PolarHBondContact O-N 3.44Å; D149-S153 PolarHBondContact O-OG 3.33Å; S153-S157 WeakPolarHBondContact O-CB 3.26Å; S153-S157 PolarHBondContact O-OG 3.42Å
154K98.7Very high98.7Very high55 Ų5543.7 Ų43.724%0.23924%0.235CC..Iπ-helixtrans-113.3-38.6-174.3-57.8-68.5-172.7158.60114.6D89 L103 T105 S150 S157D89-K154 IonicContact OD1-NZ 2.74Å; D89-K154 PolarHBondContact OD1-NZ 3.41Å; D89-K154 IonicContact OD2-NZ 3.84Å; D89-K154 PolarHBondContact OD2-NZ 3.48Å; L103-K154 HydrophobicContact CD1-CB 4.28Å; T105-K154 HydrophobicContact CG2-CB 3.74Å; T105-K154 HydrophobicContact CG2-CG 4.1Å; S150-K154 VanDerWaalsContact O-CB 3.23Å; S150-K154 WeakPolarHBondContact O-CB 3.44Å; S150-K154 PolarHBondContact O-N 3.27Å; K154-S157 WeakPolarHBondContact CA-OG 3.39Å; K154-S157 PolarHBondContact O-OG 3.23Å
155I98.9Very high98.7Very high0 Ų044.9 Ų44.90%024%0.239CC..Iπ-helixtrans-95.4-50.8-174.9-58.7172.8000109.9T105 T114 T125 A128 L129 V151 S157 L158 L164T105-I155 HydrophobicContact CG2-CD1 4.37Å; T105-I155 HydrophobicContact CG2-CG1 4.26Å; T114-I155 HydrophobicContact CG2-CG1 4.34Å; T125-I155 HydrophobicContact CG2-CD1 3.92Å; T125-I155 HydrophobicContact CG2-CG1 4.44Å; T125-I155 HydrophobicContact CG2-CG2 4.17Å; A128-I155 HydrophobicContact CB-CD1 4.26Å; L129-I155 HydrophobicContact CB-CD1 3.98Å; L129-I155 HydrophobicContact CD1-CG2 4.18Å; V151-I155 HydrophobicContact CG2-CD1 4.25Å; V151-I155 WeakPolarHBondContact O-CA 3.14Å; V151-I155 WeakPolarHBondContact O-CB 3.31Å; V151-I155 PolarHBondContact O-N 2.83Å; I155-S157 PolarHBondContact O-N 3.02Å; I155-L158 VanDerWaalsContact O-CB 3.29Å; I155-L158 WeakPolarHBondContact O-CB 3.39Å; I155-L158 WeakPolarHBondContact O-CG 3.37Å; I155-L158 PolarHBondContact O-N 3.46Å; I155-L158 VanDerWaalsContact O-N 3.13Å; I155-L164 HydrophobicContact CG2-CD1 3.92Å; I155-L164 HydrophobicContact CG2-CD2 4Å
156F98.8Very high98.8Very high17 Ų1742.9 Ų42.98%0.07522%0.222CC..THydrogen-bonded Turntrans-71.7-12177.5-71.9-5.9000113.5L129 V151 H152 L158 E181 Q182 L188L129-F156 HydrophobicContact CD1-CD1 4.48Å; L129-F156 HydrophobicContact CD1-CE1 3.66Å; L129-F156 HydrophobicContact CD1-CZ 4.29Å; V151-F156 HydrophobicContact CG1-CD1 4.03Å; V151-F156 HydrophobicContact CG1-CD2 4.13Å; V151-F156 HydrophobicContact CG1-CE1 3.87Å; V151-F156 HydrophobicContact CG1-CE2 3.97Å; V151-F156 HydrophobicContact CG1-CG 4.17Å; V151-F156 HydrophobicContact CG1-CZ 3.85Å; V151-F156 PolarHBondContact O-N 2.82Å; H152-F156 AromaticContact CE1-CD2 3.92Å; H152-F156 AromaticContact ND1-CD2 3.96Å; H152-F156 AromaticContact NE2-CD2 3.97Å; H152-F156 AromaticContact NE2-CE2 3.85Å; F156-L158 VanDerWaalsContact C-N 3.32Å; F156-E181 HydrophobicContact CE1-CB 3.77Å; F156-E181 HydrophobicContact CZ-CB 4.19Å; F156-Q182 HydrophobicContact CB-CG 4.1Å; F156-Q182 HydrophobicContact CD1-CG 3.79Å; F156-Q182 HydrophobicContact CD2-CG 3.97Å; F156-Q182 HydrophobicContact CE1-CG 4.14Å; F156-Q182 HydrophobicContact CE2-CG 4.3Å; F156-Q182 HydrophobicContact CG-CG 3.7Å; F156-Q182 HydrophobicContact CZ-CG 4.37Å; F156-Q182 PolarHBondContact O-NE2 3.15Å; F156-L188 HydrophobicContact CE2-CB 4.19Å; F156-L188 HydrophobicContact CZ-CB 4.08Å
157S98.5Very high98.7Very high80 Ų8038.9 Ų38.956%0.55921%0.205SC*.THydrogen-bonded Turntrans-82.7-9.3171.261.80000113.5S153 K154 I155S153-S157 WeakPolarHBondContact O-CB 3.26Å; S153-S157 PolarHBondContact O-OG 3.42Å; K154-S157 WeakPolarHBondContact CA-OG 3.39Å; K154-S157 PolarHBondContact O-OG 3.23Å; I155-S157 PolarHBondContact O-N 3.02Å
158L98.8Very high98.7Very high18 Ų1838.9 Ų38.99%0.09421%0.205CC..SBendtrans-68.9158.2171.3-64.1171.4000110.9V116 A123 I155 F156 Y162 V178V116-L158 HydrophobicContact CG1-CD2 4.12Å; V116-L158 HydrophobicContact CG2-CD1 4.18Å; V116-L158 HydrophobicContact CG2-CD2 4.4Å; A123-L158 HydrophobicContact CB-CD1 3.88Å; I155-L158 VanDerWaalsContact O-CB 3.29Å; I155-L158 WeakPolarHBondContact O-CB 3.39Å; I155-L158 WeakPolarHBondContact O-CG 3.37Å; I155-L158 PolarHBondContact O-N 3.46Å; I155-L158 VanDerWaalsContact O-N 3.13Å; F156-L158 VanDerWaalsContact C-N 3.32Å; L158-Y162 HydrophobicContact CB-CD1 4.2Å; L158-Y162 HydrophobicContact CB-CG 4.31Å; L158-Y162 HydrophobicContact CD1-CD1 4.16Å; L158-Y162 HydrophobicContact CD2-CD1 4.3Å; L158-Y162 HydrophobicContact CD2-CE1 4.24Å; L158-Y162 HydrophobicContact CG-CD1 4.46Å; L158-V178 HydrophobicContact CB-CG2 4.03Å
159P98.8Very high98.7Very high61 Ų6137.5 Ų37.540%0.39620%0.2SC..  trans-57142.9173.7-24.134.5000112D161 Y162P159-D161 WeakPolarHBondContact CB-OD1 3.15Å; P159-D161 PolarHBondContact O-N 2.83Å; P159-D161 VanDerWaalsContact O-N 3.12Å; P159-Y162 HydrophobicContact CB-CD2 3.63Å; P159-Y162 HydrophobicContact CB-CE2 3.68Å; P159-Y162 HydrophobicContact CG-CD2 3.83Å; P159-Y162 HydrophobicContact CG-CE2 3.42Å; P159-Y162 VanDerWaalsContact CG-CE2 3.42Å; P159-Y162 WeakPolarHBondContact O-CB 3.23Å; P159-Y162 PolarHBondContact O-N 2.9Å
160K98.7Very high98.6Very high117 Ų11739.6 Ų39.651%0.50920%0.201SC..THydrogen-bonded Turntrans-56.3-31-173.5-78.7-172.8176.4-170.50114.6Y162 E179K160-Y162 VanDerWaalsContact C-N 3.27Å; K160-Y162 PolarHBondContact O-N 2.97Å; K160-E179 HydrophobicContact CB-CB 4.05Å; K160-E179 HydrophobicContact CD-CG 4.48Å; K160-E179 HydrophobicContact CG-CB 4.38Å; K160-E179 PolarHBondContact O-N 3.32Å; K160-E179 VanDerWaalsContact O-N 3.14Å
161D98.5Very high98.5Very high81 Ų8147 Ų4743%0.43323%0.233SC..THydrogen-bonded Turntrans-82.71.3-179.469.2-38.6000113.6R121 P159 I163R121-D161 VanDerWaalsContact CD-OD2 3.23Å; R121-D161 WeakPolarHBondContact CD-OD2 3.35Å; R121-D161 IonicContact CZ-OD2 3.62Å; R121-D161 IonicContact NE-OD2 3.75Å; R121-D161 IonicContact NH1-OD2 2.8Å; R121-D161 PolarHBondContact NH1-OD2 3.37Å; P159-D161 WeakPolarHBondContact CB-OD1 3.15Å; P159-D161 PolarHBondContact O-N 2.83Å; P159-D161 VanDerWaalsContact O-N 3.12Å; D161-I163 PolarHBondContact O-N 2.54Å
162Y98.8Very high98.3Very high20 Ų2050.3 Ų50.38%0.07827%0.267CS..  trans-70.6131.9175.6-84.3-134.3000110.6V116 H118 R121 L158 P159 K160 S177 V178V116-Y162 HydrophobicContact CG1-CD1 4.22Å; V116-Y162 HydrophobicContact CG1-CE1 3.78Å; H118-Y162 AromaticContact ND1-CE1 3.62Å; H118-Y162 AromaticContact ND1-CZ 3.69Å; H118-Y162 PolarHBondContact ND1-OH 2.68Å; R121-Y162 HydrophobicContact CB-CD2 3.67Å; R121-Y162 HydrophobicContact CB-CE2 3.69Å; R121-Y162 HydrophobicContact CB-CG 4.1Å; R121-Y162 HydrophobicContact CG-CD2 4.09Å; R121-Y162 HydrophobicContact CG-CE2 3.65Å; R121-Y162 CarbonylContact O-C 3.5Å; R121-Y162 VanDerWaalsContact O-CA 3.26Å; R121-Y162 WeakPolarHBondContact O-CA 3.4Å; L158-Y162 HydrophobicContact CB-CD1 4.2Å; L158-Y162 HydrophobicContact CB-CG 4.31Å; L158-Y162 HydrophobicContact CD1-CD1 4.16Å; L158-Y162 HydrophobicContact CD2-CD1 4.3Å; L158-Y162 HydrophobicContact CD2-CE1 4.24Å; L158-Y162 HydrophobicContact CG-CD1 4.46Å; P159-Y162 HydrophobicContact CB-CD2 3.63Å; P159-Y162 HydrophobicContact CB-CE2 3.68Å; P159-Y162 HydrophobicContact CG-CD2 3.83Å; P159-Y162 HydrophobicContact CG-CE2 3.42Å; P159-Y162 VanDerWaalsContact CG-CE2 3.42Å; P159-Y162 WeakPolarHBondContact O-CB 3.23Å; P159-Y162 PolarHBondContact O-N 2.9Å; K160-Y162 VanDerWaalsContact C-N 3.27Å; K160-Y162 PolarHBondContact O-N 2.97Å; Y162-S177 VanDerWaalsContact O-CA 3.31Å; Y162-S177 WeakPolarHBondContact O-CA 3.38Å; Y162-V178 PolarHBondContact O-N 3.1Å
163I98.9Very high98.2Very high65 Ų6550.7 Ų50.733%0.33327%0.271SS..EExtended strand (participates in β ladder)trans-86131.7176.6-52.6-56.1000109.2R121 M122 A123 D161 F165 A175 T176R121-I163 PolarHBondContact O-N 2.76Å; M122-I163 CarbonylContact C-O 3.6Å; M122-I163 WeakPolarHBondContact CA-O 3.41Å; A123-I163 PolarHBondContact N-O 3.19Å; D161-I163 PolarHBondContact O-N 2.54Å; I163-F165 HydrophobicContact CB-CE2 3.85Å; I163-F165 HydrophobicContact CB-CZ 4.4Å; I163-F165 HydrophobicContact CG2-CD2 4.08Å; I163-F165 HydrophobicContact CG2-CE1 4.36Å; I163-F165 HydrophobicContact CG2-CE2 3.36Å; I163-F165 HydrophobicContact CG2-CZ 3.54Å; I163-A175 HydrophobicContact CG2-CB 3.78Å; I163-T176 CarbonylContact C-O 3.5Å; I163-T176 WeakPolarHBondContact CA-O 3.37Å; I163-T176 WeakPolarHBondContact CG2-O 3.42Å
164L98.9Very high98.2Very high0 Ų052.9 Ų52.90%028%0.278CS..EExtended strand (participates in β ladder)trans-106.2129.7-178.2-53.5-179.4000109.9A123 T125 L129 I155 A175 T176 V178 E181A123-L164 HydrophobicContact CB-CD2 3.81Å; A123-L164 WeakPolarHBondContact O-CA 3.35Å; T125-L164 HydrophobicContact CG2-CB 4.29Å; T125-L164 HydrophobicContact CG2-CD2 4.07Å; L129-L164 HydrophobicContact CD1-CD1 4.16Å; L129-L164 HydrophobicContact CD2-CD1 3.92Å; I155-L164 HydrophobicContact CG2-CD1 3.92Å; I155-L164 HydrophobicContact CG2-CD2 4Å; L164-A175 WeakPolarHBondContact O-CA 3.2Å; L164-T176 HydrophobicContact CB-CG2 3.77Å; L164-T176 HydrophobicContact CD1-CG2 4.32Å; L164-T176 HydrophobicContact CG-CG2 4.48Å; L164-T176 PolarHBondContact N-O 3.5Å; L164-T176 PolarHBondContact O-N 3.41Å; L164-T176 VanDerWaalsContact O-N 3.08Å; L164-V178 HydrophobicContact CD1-CG2 4.07Å; L164-V178 HydrophobicContact CD2-CG2 3.78Å; L164-V178 HydrophobicContact CG-CG2 4.08Å; L164-E181 HydrophobicContact CD1-CG 4.25Å
165F98.9Very high98.1Very high29 Ų2952.2 Ų52.213%0.12728%0.283CS..EExtended strand (participates in β ladder)trans-119.6105.9-176.4-73.3-78.7000109.2Y11 M122 A123 F124 T125 I163 A175Y11-F165 HydrophobicContact CD1-CB 4.48Å; Y11-F165 HydrophobicContact CD1-CD1 4.33Å; Y11-F165 HydrophobicContact CE1-CB 3.79Å; Y11-F165 AromaticContact CE1-CD1 3.54Å; Y11-F165 HydrophobicContact CE1-CD1 3.54Å; Y11-F165 HydrophobicContact CE1-CE1 4.47Å; Y11-F165 AromaticContact CE1-CG 3.97Å; Y11-F165 HydrophobicContact CE1-CG 3.97Å; Y11-F165 HydrophobicContact CE2-CB 4.08Å; Y11-F165 WeakPolarHBondContact OH-CB 3.48Å; M122-F165 HydrophobicContact CB-CD2 4.31Å; M122-F165 HydrophobicContact CB-CE2 4.15Å; M122-F165 HydrophobicContact CE-CD2 3.74Å; M122-F165 HydrophobicContact CE-CE2 3.18Å; M122-F165 HydrophobicContact CE-CZ 3.67Å; M122-F165 HydrophobicContact CG-CE2 3.91Å; M122-F165 HydrophobicContact SD-CE2 4.28Å; A123-F165 PolarHBondContact O-N 2.86Å; F124-F165 CarbonylContact C-O 3.55Å; F124-F165 VanDerWaalsContact CA-O 3.26Å; F124-F165 WeakPolarHBondContact CA-O 3.29Å; F124-F165 HydrophobicContact CD1-CB 3.61Å; F124-F165 HydrophobicContact CD1-CG 4.28Å; F124-F165 HydrophobicContact CE1-CB 3.94Å; F124-F165 HydrophobicContact CE1-CD2 4.17Å; F124-F165 HydrophobicContact CE1-CG 4.09Å; F124-F165 HydrophobicContact CG-CB 4.45Å; T125-F165 PolarHBondContact N-O 2.9Å; T125-F165 PolarHBondContact OG1-O 3.08Å; I163-F165 HydrophobicContact CB-CE2 3.85Å; I163-F165 HydrophobicContact CB-CZ 4.4Å; I163-F165 HydrophobicContact CG2-CD2 4.08Å; I163-F165 HydrophobicContact CG2-CE1 4.36Å; I163-F165 HydrophobicContact CG2-CE2 3.36Å; I163-F165 HydrophobicContact CG2-CZ 3.54Å; F165-A175 HydrophobicContact CD1-CB 3.96Å; F165-A175 HydrophobicContact CE1-CB 3.68Å; F165-A175 HydrophobicContact CZ-CB 4.16Å
166P98.8Very high98.1Very high1 Ų152.4 Ų52.41%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-79.6165.4-173.936.3-40000112.9Y9 Y11 L130 I131 H168Y9-P166 HydrophobicContact CD2-CG 4.24Å; Y9-P166 HydrophobicContact CE2-CG 4.47Å; Y11-P166 VanDerWaalsContact CE2-O 3.32Å; Y11-P166 WeakPolarHBondContact CE2-O 3.31Å; Y11-P166 PolarHBondContact OH-O 2.81Å; L130-P166 HydrophobicContact CD2-CB 3.76Å; I131-P166 HydrophobicContact CD1-CG 3.98Å; I131-P166 HydrophobicContact CG1-CG 4Å; P166-H168 VanDerWaalsContact C-N 3.3Å; P166-H168 WeakPolarHBondContact CG-O 3.49Å
167G98.4Very high98.2Very high1 Ų152.2 Ų52.21%0.0129%0.285CS..SBendtrans-66.7-34169.900000112.6T8 Y9 G126T8-G167 WeakPolarHBondContact CA-O 3.28Å; Y9-G167 PolarHBondContact N-O 2.83Å; G126-G167 PolarHBondContact O-N 3.43Å
168H98.6Very high98.2Very high0 Ų048.4 Ų48.40%026%0.258CS..BIsolated β-bridgetrans-139.7154.1-175.6-57.792.4000112.9S7 T8 D56 D127 L130 P166 Y170S7-H168 WeakPolarHBondContact O-CA 3.2Å; S7-H168 PolarHBondContact O-CD2 2.89Å; T8-H168 PolarHBondContact OG1-CD2 3.3Å; T8-H168 PolarHBondContact OG1-NE2 3.44Å; D56-H168 IonicContact OD1-CE1 3.69Å; D56-H168 IonicContact OD1-NE2 3.64Å; D56-H168 IonicContact OD2-CE1 3.24Å; D56-H168 IonicContact OD2-NE2 3.59Å; D56-H168 PolarHBondContact OD2-NE2 3.06Å; D127-H168 VanDerWaalsContact CG-ND1 3.29Å; D127-H168 IonicContact OD1-CE1 3.76Å; D127-H168 IonicContact OD1-CG 2.94Å; D127-H168 IonicContact OD1-ND1 3.82Å; D127-H168 PolarHBondContact OD1-ND1 3.46Å; D127-H168 IonicContact OD2-CE1 2.66Å; D127-H168 PolarHBondContact OD2-CE1 2.88Å; D127-H168 IonicContact OD2-ND1 2.7Å; D127-H168 PolarHBondContact OD2-ND1 3.35Å; D127-H168 VanDerWaalsContact OD2-ND1 3.11Å; L130-H168 HydrophobicContact CD2-CB 4.49Å; P166-H168 VanDerWaalsContact C-N 3.3Å; P166-H168 WeakPolarHBondContact CG-O 3.49Å; H168-Y170 HydrophobicContact CB-CE1 4.37Å; H168-Y170 HydrophobicContact CB-CE2 4.22Å
169D98.3Very high98.2Very high9 Ų952.4 Ų52.45%0.04828%0.276CS..  trans-146.5139161-175.8-90.8000110.9S7 Y9 K171 G172 L173S7-D169 PolarHBondContact O-N 3.42Å; Y9-D169 HydrophobicContact CE2-CB 3.63Å; D169-K171 VanDerWaalsContact OD1-C 3.26Å; D169-K171 WeakPolarHBondContact OD1-CA 3.48Å; D169-K171 PolarHBondContact OD1-N 2.95Å; D169-G172 PolarHBondContact OD1-N 2.96Å; D169-L173 WeakPolarHBondContact CB-O 3.34Å; D169-L173 PolarHBondContact OD1-N 2.79Å
170Y96.1Very high98.2Very high148 Ų14852.6 Ų52.658%0.5827%0.272SS*.SBendtrans-112.311.9-175.4-48.9-72.8000112.8H168H168-Y170 HydrophobicContact CB-CE1 4.37Å; H168-Y170 HydrophobicContact CB-CE2 4.22Å
171K96.3Very high98.2Very high162 Ų16247 Ų4770%0.70425%0.247SC*.SBendtrans-128.52.2-175.5-63.5-177.5-176.7174.30113.3D169 L173D169-K171 VanDerWaalsContact OD1-C 3.26Å; D169-K171 WeakPolarHBondContact OD1-CA 3.48Å; D169-K171 PolarHBondContact OD1-N 2.95Å; K171-L173 HydrophobicContact CB-CG 4.36Å
172G94.8Very high98.2Very high69 Ų6946.5 Ų46.571%0.71124%0.242SC*.SBendtrans80.320.1-178.500000114.3D169D169-G172 PolarHBondContact OD1-N 2.96Å
173L97.9Very high98.2Very high78 Ų7852 Ų5241%0.40827%0.267SS..  trans-95.6131.7177.6-56.1178.1000110.6Y9 I131 D169 K171Y9-L173 WeakPolarHBondContact CE2-O 3.29Å; Y9-L173 PolarHBondContact OH-O 3.1Å; I131-L173 HydrophobicContact CB-CD1 4.47Å; I131-L173 HydrophobicContact CD1-CB 3.63Å; I131-L173 VanDerWaalsContact CD1-O 3.29Å; I131-L173 WeakPolarHBondContact CD1-O 3.44Å; I131-L173 HydrophobicContact CG2-CB 4.16Å; I131-L173 HydrophobicContact CG2-CD1 3.6Å; D169-L173 WeakPolarHBondContact CB-O 3.34Å; D169-L173 PolarHBondContact OD1-N 2.79Å; K171-L173 HydrophobicContact CB-CG 4.36Å
174L97.1Very high98.2Very high100 Ų10054.7 Ų54.752%0.52427%0.273SS..  trans-91.3-38.7-173179.963.4000114.2Y9Y9-L174 HydrophobicContact CD1-CD1 4.02Å; Y9-L174 HydrophobicContact CE1-CD1 3.58Å; Y9-L174 HydrophobicContact CE2-CD1 4.47Å
175A98.5Very high98.2Very high41 Ų4154.7 Ų54.734%0.33927%0.273SS..  trans-154.4163.1-172.900000111.2I163 L164 F165I163-A175 HydrophobicContact CG2-CB 3.78Å; L164-A175 WeakPolarHBondContact O-CA 3.2Å; F165-A175 HydrophobicContact CD1-CB 3.96Å; F165-A175 HydrophobicContact CE1-CB 3.68Å; F165-A175 HydrophobicContact CZ-CB 4.16Å
176T98.8Very high98.1Very high4 Ų457 Ų573%0.02529%0.292CS..EExtended strand (participates in β ladder)trans-141.6-174174-172.60000108.8L129 I131 R132 I163 L164 E181L129-T176 HydrophobicContact CD2-CG2 4.33Å; I131-T176 HydrophobicContact CG1-CG2 3.92Å; R132-T176 PolarHBondContact NH1-OG1 3.35Å; I163-T176 CarbonylContact C-O 3.5Å; I163-T176 WeakPolarHBondContact CA-O 3.37Å; I163-T176 WeakPolarHBondContact CG2-O 3.42Å; L164-T176 HydrophobicContact CB-CG2 3.77Å; L164-T176 HydrophobicContact CD1-CG2 4.32Å; L164-T176 HydrophobicContact CG-CG2 4.48Å; L164-T176 PolarHBondContact N-O 3.5Å; L164-T176 PolarHBondContact O-N 3.41Å; L164-T176 VanDerWaalsContact O-N 3.08Å; T176-E181 WeakPolarHBondContact CB-OE1 3.26Å; T176-E181 HydrophobicContact CG2-CG 3.5Å; T176-E181 VanDerWaalsContact CG2-CG 3.5Å; T176-E181 WeakPolarHBondContact CG2-OE1 3.25Å; T176-E181 PolarHBondContact OG1-OE1 3.43Å
177S98.9Very high98Very high13 Ų1360 Ų609%0.09130%0.303CS..EExtended strand (participates in β ladder)trans-125.3161.9174.259.80000111.8Y162 E179 E180 E181Y162-S177 VanDerWaalsContact O-CA 3.31Å; Y162-S177 WeakPolarHBondContact O-CA 3.38Å; S177-E179 VanDerWaalsContact C-N 3.27Å; S177-E179 PolarHBondContact O-N 2.81Å; S177-E180 PolarHBondContact N-OE1 3.05Å; S177-E180 PolarHBondContact O-N 2.93Å; S177-E180 WeakPolarHBondContact OG-CB 3.24Å; S177-E180 WeakPolarHBondContact OG-CG 3.17Å; S177-E180 PolarHBondContact OG-N 3.23Å; S177-E180 PolarHBondContact OG-OE1 3.27Å; S177-E181 PolarHBondContact O-N 2.9Å; S177-E181 VanDerWaalsContact O-N 3.07Å
178V98.9Very high98Very high0 Ų060 Ų600%030%0.302CS..Hα-helixtrans-55.7-45.4172.8174.30000110.6L158 Y162 L164 E180 E181 Q182L158-V178 HydrophobicContact CB-CG2 4.03Å; Y162-V178 PolarHBondContact O-N 3.1Å; L164-V178 HydrophobicContact CD1-CG2 4.07Å; L164-V178 HydrophobicContact CD2-CG2 3.78Å; L164-V178 HydrophobicContact CG-CG2 4.08Å; V178-E180 PolarHBondContact O-N 2.95Å; V178-E181 PolarHBondContact O-N 3.25Å; V178-Q182 HydrophobicContact CG1-CG 4.3Å; V178-Q182 WeakPolarHBondContact O-CB 3.16Å; V178-Q182 VanDerWaalsContact O-CG 3.31Å; V178-Q182 WeakPolarHBondContact O-CG 3.44Å; V178-Q182 PolarHBondContact O-N 3.14Å
179E98.8Very high98Very high101 Ų10163 Ų6347%0.47232%0.321SS..Hα-helixtrans-60.3-45.3178.5-176.9163.1-125.600112.9K160 S177 K183K160-E179 HydrophobicContact CB-CB 4.05Å; K160-E179 HydrophobicContact CD-CG 4.48Å; K160-E179 HydrophobicContact CG-CB 4.38Å; K160-E179 PolarHBondContact O-N 3.32Å; K160-E179 VanDerWaalsContact O-N 3.14Å; S177-E179 VanDerWaalsContact C-N 3.27Å; S177-E179 PolarHBondContact O-N 2.81Å; E179-K183 WeakPolarHBondContact O-CB 3.37Å; E179-K183 PolarHBondContact O-N 3.06Å
180E98.8Very high98Very high65 Ų6565.1 Ų65.130%0.30433%0.332SS..Hα-helixtrans-63.6-44-179.8-76.4172.7-93.500112.1R132 S177 V178 K183 Y184R132-E180 IonicContact CZ-OE2 3.45Å; R132-E180 IonicContact NH1-OE2 3.59Å; R132-E180 IonicContact NH2-OE2 3.56Å; R132-E180 PolarHBondContact NH2-OE2 3.07Å; S177-E180 PolarHBondContact N-OE1 3.05Å; S177-E180 PolarHBondContact O-N 2.93Å; S177-E180 WeakPolarHBondContact OG-CB 3.24Å; S177-E180 WeakPolarHBondContact OG-CG 3.17Å; S177-E180 PolarHBondContact OG-N 3.23Å; S177-E180 PolarHBondContact OG-OE1 3.27Å; V178-E180 PolarHBondContact O-N 2.95Å; E180-K183 PolarHBondContact O-N 2.77Å; E180-Y184 HydrophobicContact CB-CD2 4.29Å; E180-Y184 WeakPolarHBondContact O-CA 3.42Å; E180-Y184 VanDerWaalsContact O-CB 3.3Å; E180-Y184 WeakPolarHBondContact O-CB 3.39Å; E180-Y184 VanDerWaalsContact O-CD2 3.26Å; E180-Y184 WeakPolarHBondContact O-CD2 3.45Å; E180-Y184 PolarHBondContact O-N 3.21Å
181E98.9Very high98.1Very high0 Ų062.2 Ų62.20%033%0.331CS..Hα-helixtrans-73.5-34.1-178.3-63.9-61.5143.900112.4L129 R132 F156 L164 T176 S177 V178 K183 N185L129-E181 HydrophobicContact CD1-CB 4.02Å; L129-E181 HydrophobicContact CD1-CG 4.2Å; L129-E181 HydrophobicContact CD2-CG 3.95Å; R132-E181 WeakPolarHBondContact CA-OE2 3.47Å; R132-E181 IonicContact CZ-OE1 3.42Å; R132-E181 PolarHBondContact N-OE1 3.35Å; R132-E181 PolarHBondContact N-OE2 2.73Å; R132-E181 VanDerWaalsContact N-OE2 3.09Å; R132-E181 IonicContact NH1-OE1 2.78Å; R132-E181 PolarHBondContact NH1-OE1 3.04Å; F156-E181 HydrophobicContact CE1-CB 3.77Å; F156-E181 HydrophobicContact CZ-CB 4.19Å; L164-E181 HydrophobicContact CD1-CG 4.25Å; T176-E181 WeakPolarHBondContact CB-OE1 3.26Å; T176-E181 HydrophobicContact CG2-CG 3.5Å; T176-E181 VanDerWaalsContact CG2-CG 3.5Å; T176-E181 WeakPolarHBondContact CG2-OE1 3.25Å; T176-E181 PolarHBondContact OG1-OE1 3.43Å; S177-E181 PolarHBondContact O-N 2.9Å; S177-E181 VanDerWaalsContact O-N 3.07Å; V178-E181 PolarHBondContact O-N 3.25Å; E181-K183 PolarHBondContact O-N 3.44Å; E181-N185 HydrophobicContact CB-CB 4.38Å; E181-N185 WeakPolarHBondContact O-CB 3.38Å; E181-N185 PolarHBondContact O-N 2.87Å; E181-N185 VanDerWaalsContact O-N 3.13Å; E181-N185 VanDerWaalsContact OE2-CB 3.3Å; E181-N185 WeakPolarHBondContact OE2-CB 3.35Å; E181-N185 PolarHBondContact OE2-ND2 3.47Å
182Q98.7Very high98.3Very high70 Ų7057.5 Ų57.533%0.32731%0.314SS..Hα-helixtrans-60-29.4171.1-80.1-176.9-18.100112.8F156 V178 T189F156-Q182 HydrophobicContact CB-CG 4.1Å; F156-Q182 HydrophobicContact CD1-CG 3.79Å; F156-Q182 HydrophobicContact CD2-CG 3.97Å; F156-Q182 HydrophobicContact CE1-CG 4.14Å; F156-Q182 HydrophobicContact CE2-CG 4.3Å; F156-Q182 HydrophobicContact CG-CG 3.7Å; F156-Q182 HydrophobicContact CZ-CG 4.37Å; F156-Q182 PolarHBondContact O-NE2 3.15Å; V178-Q182 HydrophobicContact CG1-CG 4.3Å; V178-Q182 WeakPolarHBondContact O-CB 3.16Å; V178-Q182 VanDerWaalsContact O-CG 3.31Å; V178-Q182 WeakPolarHBondContact O-CG 3.44Å; V178-Q182 PolarHBondContact O-N 3.14Å; Q182-T189 WeakPolarHBondContact O-CG2 3.18Å
183K98.6Very high98.4Very high135 Ų13561.1 Ų61.159%0.58731%0.312SS*.Hα-helixtrans-99.6-33.9-175.5-169.3172.7174-167.40113.7E179 E180 E181E179-K183 WeakPolarHBondContact O-CB 3.37Å; E179-K183 PolarHBondContact O-N 3.06Å; E180-K183 PolarHBondContact O-N 2.77Å; E181-K183 PolarHBondContact O-N 3.44Å
184Y98.7Very high98.5Very high122 Ų12259.8 Ų59.848%0.47831%0.309SS..Hα-helixtrans-125.4-1.2-165-52.6-62.6000114.4E180 P186E180-Y184 HydrophobicContact CB-CD2 4.29Å; E180-Y184 WeakPolarHBondContact O-CA 3.42Å; E180-Y184 VanDerWaalsContact O-CB 3.3Å; E180-Y184 WeakPolarHBondContact O-CB 3.39Å; E180-Y184 VanDerWaalsContact O-CD2 3.26Å; E180-Y184 WeakPolarHBondContact O-CD2 3.45Å; E180-Y184 PolarHBondContact O-N 3.21Å; Y184-P186 VanDerWaalsContact O-CD 3.26Å; Y184-P186 WeakPolarHBondContact O-CD 3.5Å
185N98.7Very high98.5Very high0 Ų055 Ų550%028%0.284CS..  trans-70.2111.1175.1-168.8-63.7000110.6A133 E181 R187 L188 T189A133-N185 PolarHBondContact N-ND2 3.09Å; A133-N185 PolarHBondContact O-ND2 2.98Å; E181-N185 HydrophobicContact CB-CB 4.38Å; E181-N185 WeakPolarHBondContact O-CB 3.38Å; E181-N185 PolarHBondContact O-N 2.87Å; E181-N185 VanDerWaalsContact O-N 3.13Å; E181-N185 VanDerWaalsContact OE2-CB 3.3Å; E181-N185 WeakPolarHBondContact OE2-CB 3.35Å; E181-N185 PolarHBondContact OE2-ND2 3.47Å; N185-R187 PolarHBondContact O-N 3.21Å; N185-R187 PolarHBondContact OD1-N 2.79Å; N185-R187 VanDerWaalsContact OD1-N 3.1Å; N185-L188 HydrophobicContact CB-CB 4.15Å; N185-L188 PolarHBondContact OD1-N 3.17Å; N185-T189 HydrophobicContact CB-CG2 4.35Å; N185-T189 WeakPolarHBondContact O-CB 3.42Å; N185-T189 WeakPolarHBondContact O-CG2 3.33Å; N185-T189 PolarHBondContact O-N 3.28Å; N185-T189 PolarHBondContact O-OG1 2.92Å
186P97.9Very high98.5Very high78 Ų7854.4 Ų54.451%0.50628%0.276SS..THydrogen-bonded Turntrans-67.5-9.7-170.330.3-37000114.2R132 Y184R132-P186 WeakPolarHBondContact O-CD 3.19Å; R132-P186 WeakPolarHBondContact O-CG 3.26Å; Y184-P186 VanDerWaalsContact O-CD 3.26Å; Y184-P186 WeakPolarHBondContact O-CD 3.5Å
187R97.6Very high98.5Very high64 Ų6460.2 Ų60.224%0.24230%0.303CS..THydrogen-bonded Turntrans-108.4-54.6178-58.8-179.5-173152.71.4110.9C134 N185 T189 L190 F195C134-R187 PolarHBondContact O-NH1 3.42Å; N185-R187 PolarHBondContact O-N 3.21Å; N185-R187 PolarHBondContact OD1-N 2.79Å; N185-R187 VanDerWaalsContact OD1-N 3.1Å; R187-T189 VanDerWaalsContact C-N 3.27Å; R187-T189 PolarHBondContact O-N 2.85Å; R187-L190 VanDerWaalsContact O-CB 3.24Å; R187-L190 WeakPolarHBondContact O-CB 3.45Å; R187-L190 WeakPolarHBondContact O-CG 3.35Å; R187-L190 PolarHBondContact O-N 3.22Å; R187-F195 HydrophobicContact CB-CD2 3.88Å; R187-F195 HydrophobicContact CB-CE2 3.85Å; R187-F195 WeakPolarHBondContact O-CD2 3.5Å
188L98.4Very high98.4Very high0 Ų062.3 Ų62.30%032%0.315CS..THydrogen-bonded Turntrans-74.8-13.9-170.7-65.8161.8000113.4L129 C134 V151 H152 F156 N185 F195L129-L188 HydrophobicContact CD1-CD1 4.04Å; L129-L188 HydrophobicContact CG-CD1 4.21Å; C134-L188 HydrophobicContact CB-CD1 4.06Å; C134-L188 HydrophobicContact CB-CG 4.44Å; V151-L188 HydrophobicContact CB-CD1 4.48Å; V151-L188 HydrophobicContact CB-CD2 4.11Å; V151-L188 HydrophobicContact CG1-CD1 3.84Å; V151-L188 HydrophobicContact CG1-CD2 4.14Å; V151-L188 HydrophobicContact CG1-CG 4.39Å; V151-L188 HydrophobicContact CG2-CD1 4.17Å; V151-L188 HydrophobicContact CG2-CD2 4.04Å; H152-L188 PolarHBondContact NE2-O 2.82Å; F156-L188 HydrophobicContact CE2-CB 4.19Å; F156-L188 HydrophobicContact CZ-CB 4.08Å; N185-L188 HydrophobicContact CB-CB 4.15Å; N185-L188 PolarHBondContact OD1-N 3.17Å; L188-F195 HydrophobicContact CD2-CD2 4.29Å; L188-F195 HydrophobicContact CD2-CE2 3.65Å; L188-F195 HydrophobicContact CD2-CZ 3.9Å; L188-F195 HydrophobicContact CG-CE2 4.22Å
189T98.4Very high98.4Very high65 Ų6562.9 Ų62.940%0.39932%0.318SS..THydrogen-bonded Turntrans-84.8-7169.167.10000113.7Q182 N185 R187Q182-T189 WeakPolarHBondContact O-CG2 3.18Å; N185-T189 HydrophobicContact CB-CG2 4.35Å; N185-T189 WeakPolarHBondContact O-CB 3.42Å; N185-T189 WeakPolarHBondContact O-CG2 3.33Å; N185-T189 PolarHBondContact O-N 3.28Å; N185-T189 PolarHBondContact O-OG1 2.92Å; R187-T189 VanDerWaalsContact C-N 3.27Å; R187-T189 PolarHBondContact O-N 2.85Å
190L98.4Very high98.2Very high52 Ų5263.3 Ų63.327%0.27232%0.323SS..SBendtrans-71.2156173.9-61.5174.4000110.4Y148 R187 F195 V198Y148-L190 WeakPolarHBondContact CE2-O 3.35Å; Y148-L190 PolarHBondContact OH-O 3.43Å; R187-L190 VanDerWaalsContact O-CB 3.24Å; R187-L190 WeakPolarHBondContact O-CB 3.45Å; R187-L190 WeakPolarHBondContact O-CG 3.35Å; R187-L190 PolarHBondContact O-N 3.22Å; L190-F195 HydrophobicContact CB-CB 4.43Å; L190-V198 HydrophobicContact CD1-CG2 3.93Å
191P98.3Very high98Very high87 Ų8764.9 Ų64.957%0.56533%0.334SS*.  trans-58.2145.7164.8-21.833.5000110.9Q193 S194 F195P191-Q193 VanDerWaalsContact C-N 3.28Å; P191-Q193 PolarHBondContact O-N 3.13Å; P191-Q193 VanDerWaalsContact O-N 3.09Å; P191-S194 WeakPolarHBondContact O-CA 3.31Å; P191-S194 WeakPolarHBondContact O-CB 3.43Å; P191-S194 PolarHBondContact O-N 2.91Å; P191-F195 PolarHBondContact O-N 3.16Å
192L98.5Very high97.7Very high64 Ų6467.1 Ų67.134%0.33535%0.345SS..Hα-helixtrans-43.6-49.2-176.1171.562.1000113.8A145 Y148 S194 F195 V196A145-L192 HydrophobicContact CB-CD1 4.29Å; Y148-L192 HydrophobicContact CD1-CB 4.11Å; Y148-L192 HydrophobicContact CD1-CD1 3.68Å; Y148-L192 HydrophobicContact CD1-CG 4.41Å; Y148-L192 HydrophobicContact CD2-CD1 4.33Å; Y148-L192 HydrophobicContact CE1-CB 3.94Å; Y148-L192 HydrophobicContact CE1-CD1 4.39Å; Y148-L192 HydrophobicContact CG-CD1 3.62Å; L192-S194 PolarHBondContact O-N 3.07Å; L192-F195 WeakPolarHBondContact O-CB 3.47Å; L192-F195 PolarHBondContact O-N 3.24Å; L192-V196 HydrophobicContact CD1-CG2 3.92Å; L192-V196 WeakPolarHBondContact O-CG2 3.39Å; L192-V196 PolarHBondContact O-N 2.87Å
193Q98.5Very high97.2Very high145 Ų14570.9 Ų70.968%0.67837%0.368SS*.Hα-helixtrans-63.8-41-177.9-65.8-61.3-22.400112.3P191 V196 Q197P191-Q193 VanDerWaalsContact C-N 3.28Å; P191-Q193 PolarHBondContact O-N 3.13Å; P191-Q193 VanDerWaalsContact O-N 3.09Å; Q193-V196 PolarHBondContact O-N 3.24Å; Q193-Q197 WeakPolarHBondContact O-CB 3.4Å; Q193-Q197 PolarHBondContact O-N 2.9Å
194S98.4Very high96.8Very high49 Ų4968.5 Ų68.534%0.34336%0.361SS..Hα-helixtrans-67.9-38.8175.5-580000111.7P191 L192 Q197 V198P191-S194 WeakPolarHBondContact O-CA 3.31Å; P191-S194 WeakPolarHBondContact O-CB 3.43Å; P191-S194 PolarHBondContact O-N 2.91Å; L192-S194 PolarHBondContact O-N 3.07Å; S194-Q197 PolarHBondContact O-N 3.32Å; S194-V198 VanDerWaalsContact O-CG2 3.32Å; S194-V198 WeakPolarHBondContact O-CG2 3.45Å; S194-V198 PolarHBondContact O-N 3.07Å
195F98.6Very high96.4Very high0 Ų067.6 Ų67.60%037%0.372CS..Hα-helixtrans-59.1-52173.2172.8-98.4000111.6A144 L147 Y148 R187 L188 L190 P191 L192 Q197 V198 M199A144-F195 HydrophobicContact CB-CD1 4.38Å; A144-F195 HydrophobicContact CB-CE1 3.94Å; A144-F195 WeakPolarHBondContact O-CE1 3.48Å; L147-F195 HydrophobicContact CD2-CZ 4.04Å; L147-F195 HydrophobicContact CG-CZ 4.35Å; Y148-F195 HydrophobicContact CD2-CB 3.79Å; Y148-F195 AromaticContact CD2-CD1 3.69Å; Y148-F195 HydrophobicContact CD2-CD1 3.69Å; Y148-F195 HydrophobicContact CD2-CD2 4.28Å; Y148-F195 HydrophobicContact CD2-CE1 4.35Å; Y148-F195 AromaticContact CD2-CG 3.64Å; Y148-F195 HydrophobicContact CD2-CG 3.64Å; Y148-F195 HydrophobicContact CE2-CB 4.04Å; Y148-F195 HydrophobicContact CE2-CG 4.3Å; Y148-F195 HydrophobicContact CG-CD1 4.21Å; R187-F195 HydrophobicContact CB-CD2 3.88Å; R187-F195 HydrophobicContact CB-CE2 3.85Å; R187-F195 WeakPolarHBondContact O-CD2 3.5Å; L188-F195 HydrophobicContact CD2-CD2 4.29Å; L188-F195 HydrophobicContact CD2-CE2 3.65Å; L188-F195 HydrophobicContact CD2-CZ 3.9Å; L188-F195 HydrophobicContact CG-CE2 4.22Å; L190-F195 HydrophobicContact CB-CB 4.43Å; P191-F195 PolarHBondContact O-N 3.16Å; L192-F195 WeakPolarHBondContact O-CB 3.47Å; L192-F195 PolarHBondContact O-N 3.24Å; F195-Q197 VanDerWaalsContact C-N 3.3Å; F195-Q197 PolarHBondContact O-N 2.95Å; F195-V198 PolarHBondContact O-N 3.09Å; F195-V198 VanDerWaalsContact O-N 3.13Å; F195-M199 HydrophobicContact CD1-CG 4.18Å; F195-M199 HydrophobicContact CD2-CG 4.15Å; F195-M199 HydrophobicContact CE1-CG 3.71Å; F195-M199 HydrophobicContact CE2-CG 3.71Å; F195-M199 HydrophobicContact CE2-SD 3.94Å; F195-M199 HydrophobicContact CG-CG 4.39Å; F195-M199 HydrophobicContact CZ-CG 3.48Å; F195-M199 VanDerWaalsContact CZ-CG 3.48Å; F195-M199 HydrophobicContact CZ-SD 3.99Å; F195-M199 WeakPolarHBondContact O-CG 3.35Å; F195-M199 PolarHBondContact O-N 2.91Å
196V98.5Very high95.9Very high29 Ų2972.7 Ų72.718%0.17640%0.395CS..Hα-helixtrans-58.6-43.5178.8171.90000110.8A144 A145 L192 Q193 V198 M199 N200A144-V196 HydrophobicContact CB-CB 4.43Å; A144-V196 HydrophobicContact CB-CG1 4.47Å; A144-V196 HydrophobicContact CB-CG2 4.03Å; A145-V196 HydrophobicContact CB-CG2 4.21Å; L192-V196 HydrophobicContact CD1-CG2 3.92Å; L192-V196 WeakPolarHBondContact O-CG2 3.39Å; L192-V196 PolarHBondContact O-N 2.87Å; Q193-V196 PolarHBondContact O-N 3.24Å; V196-V198 PolarHBondContact O-N 3.44Å; V196-M199 PolarHBondContact O-N 2.93Å; V196-N200 WeakPolarHBondContact O-CB 3.45Å; V196-N200 VanDerWaalsContact O-CG 3.25Å; V196-N200 PolarHBondContact O-N 2.93Å; V196-N200 PolarHBondContact O-ND2 3.47Å
197Q98.1Very high95.5Very high126 Ų12670.2 Ų70.259%0.58938%0.378SS*.Hα-helixtrans-61.3-44.1176.1-174.7179.1-0.800112Q193 S194 F195 N201Q193-Q197 WeakPolarHBondContact O-CB 3.4Å; Q193-Q197 PolarHBondContact O-N 2.9Å; S194-Q197 PolarHBondContact O-N 3.32Å; F195-Q197 VanDerWaalsContact C-N 3.3Å; F195-Q197 PolarHBondContact O-N 2.95Å; Q197-N201 PolarHBondContact O-N 3.28Å; Q197-N201 PolarHBondContact O-ND2 3.37Å
198V97.7Very high95.2Very high57 Ų5777 Ų7735%0.34541%0.41SS..Hα-helixtrans-61.8-48.2176.9167.20000110.8L190 S194 F195 V196 N200 N201 L202L190-V198 HydrophobicContact CD1-CG2 3.93Å; S194-V198 VanDerWaalsContact O-CG2 3.32Å; S194-V198 WeakPolarHBondContact O-CG2 3.45Å; S194-V198 PolarHBondContact O-N 3.07Å; F195-V198 PolarHBondContact O-N 3.09Å; F195-V198 VanDerWaalsContact O-N 3.13Å; V196-V198 PolarHBondContact O-N 3.44Å; V198-N200 PolarHBondContact O-N 2.99Å; V198-N201 PolarHBondContact O-N 3.37Å; V198-N201 VanDerWaalsContact O-N 3.11Å; V198-L202 HydrophobicContact CG1-CD2 4.5Å; V198-L202 PolarHBondContact O-N 3.5Å
199M97.7Very high94.8Very high11 Ų1181 Ų815%0.05443%0.429CS..Hα-helixtrans-61.3-42.5-178.2-68.1-54.7-69.400112.3C134 G135 T137 A144 F195 V196 N201 L202C134-M199 VanDerWaalsContact SG-SD 3.62Å; G135-M199 WeakPolarHBondContact O-CE 3.49Å; T137-M199 HydrophobicContact CG2-CE 3.98Å; A144-M199 HydrophobicContact CB-CB 3.85Å; A144-M199 HydrophobicContact CB-CG 4.16Å; F195-M199 HydrophobicContact CD1-CG 4.18Å; F195-M199 HydrophobicContact CD2-CG 4.15Å; F195-M199 HydrophobicContact CE1-CG 3.71Å; F195-M199 HydrophobicContact CE2-CG 3.71Å; F195-M199 HydrophobicContact CE2-SD 3.94Å; F195-M199 HydrophobicContact CG-CG 4.39Å; F195-M199 HydrophobicContact CZ-CG 3.48Å; F195-M199 VanDerWaalsContact CZ-CG 3.48Å; F195-M199 HydrophobicContact CZ-SD 3.99Å; F195-M199 WeakPolarHBondContact O-CG 3.35Å; F195-M199 PolarHBondContact O-N 2.91Å; V196-M199 PolarHBondContact O-N 2.93Å; M199-N201 PolarHBondContact O-N 3.42Å; M199-L202 HydrophobicContact CE-CD1 3.8Å; M199-L202 PolarHBondContact O-N 2.8Å; M199-L202 HydrophobicContact SD-CD1 3.74Å
200N94.9Very high94.5Very high110 Ų11078.8 Ų78.859%0.58841%0.414SS*.Hα-helixtrans-67.4-17.6178.3-70.2-12.7000113.6V196 V198V196-N200 WeakPolarHBondContact O-CB 3.45Å; V196-N200 VanDerWaalsContact O-CG 3.25Å; V196-N200 PolarHBondContact O-N 2.93Å; V196-N200 PolarHBondContact O-ND2 3.47Å; V198-N200 PolarHBondContact O-N 2.99Å
201N95.5Very high94.2Very high99 Ų9983.3 Ų83.353%0.52943%0.434SS..THydrogen-bonded Turntrans-107.510.8-177.3-70.9-56000113.6Q197 V198 M199 N203Q197-N201 PolarHBondContact O-N 3.28Å; Q197-N201 PolarHBondContact O-ND2 3.37Å; V198-N201 PolarHBondContact O-N 3.37Å; V198-N201 VanDerWaalsContact O-N 3.11Å; M199-N201 PolarHBondContact O-N 3.42Å; N201-N203 PolarHBondContact O-N 3.49Å; N201-N203 PolarHBondContact O-ND2 2.91Å
202L91.5Very high93.9Very high46 Ų4684.3 Ų84.324%0.24143%0.429CS..  trans-67.3-20.1-178.7-70.2174.5000114.1V198 M199 L204V198-L202 HydrophobicContact CG1-CD2 4.5Å; V198-L202 PolarHBondContact O-N 3.5Å; M199-L202 HydrophobicContact CE-CD1 3.8Å; M199-L202 PolarHBondContact O-N 2.8Å; M199-L202 HydrophobicContact SD-CD1 3.74Å; L202-L204 HydrophobicContact CB-CD1 4.19Å; L202-L204 HydrophobicContact CB-CD2 4.34Å; L202-L204 HydrophobicContact CB-CG 3.82Å; L202-L204 HydrophobicContact CD1-CD1 4.19Å; L202-L204 PolarHBondContact O-N 3.13Å; L202-L204 VanDerWaalsContact O-N 3.15Å
203N89.1Confident93.8Very high150 Ų15081.3 Ų81.380%0.80241%0.414SS*.  trans46.244.3177.6-67.3-42.1000113.9N201N201-N203 PolarHBondContact O-N 3.49Å; N201-N203 PolarHBondContact O-ND2 2.91Å
204L89.8Confident93.7Very high85 Ų8575.8 Ų75.845%0.44539%0.39SS..PPolyproline II helixtrans-78141.2-176.6-61.6176.2000111.3R136 L202R136-L204 HydrophobicContact CB-CD1 3.89Å; R136-L204 PolarHBondContact NH2-O 3.39Å; L202-L204 HydrophobicContact CB-CD1 4.19Å; L202-L204 HydrophobicContact CB-CD2 4.34Å; L202-L204 HydrophobicContact CB-CG 3.82Å; L202-L204 HydrophobicContact CD1-CD1 4.19Å; L202-L204 PolarHBondContact O-N 3.13Å; L202-L204 VanDerWaalsContact O-N 3.15Å
205S90.7Very high93.6Very high102 Ų10276.1 Ų76.171%0.71339%0.391SS*.PPolyproline II helixtrans-59.9152.2170.853.50000111.4R136R136-S205 PolarHBondContact NH1-O 3.42Å; R136-S205 PolarHBondContact NH2-O 3.03Å
206K88.4Confident93.6Very high108 Ų10876.1 Ų76.147%0.4739%0.391SS..PPolyproline II helixtrans-56.2135.3173.9-176.2177.6-179.1177.40109.7F139 K208 I210 E211F139-K206 HydrophobicContact CE1-CG 4.25Å; F139-K206 HydrophobicContact CZ-CB 4.38Å; F139-K206 HydrophobicContact CZ-CG 4.07Å; K206-K208 PolarHBondContact O-N 3.45Å; K206-I210 HydrophobicContact CD-CG2 4.31Å; K206-I210 HydrophobicContact CG-CG2 4.03Å; K206-E211 IonicContact NZ-OE1 2.58Å; K206-E211 PolarHBondContact NZ-OE1 3.21Å
207P89.1Confident93.5Very high25 Ų2574.9 Ų74.916%0.16238%0.383CS..PPolyproline II helixtrans-59.5132.9177.5-17.728.5000110.7Q209 I210P207-Q209 PolarHBondContact O-N 2.93Å; P207-I210 HydrophobicContact CB-CB 4.14Å; P207-I210 HydrophobicContact CG-CB 4.44Å; P207-I210 HydrophobicContact CG-CD1 4.23Å; P207-I210 WeakPolarHBondContact O-CG2 3.41Å; P207-I210 PolarHBondContact O-N 2.82Å
208K90.5Very high93.5Very high206 Ų20671.9 Ų71.990%0.89637%0.37SS*.THydrogen-bonded Turntrans-61.9-29.7-168.8-66.8179.7-179175.10113.9K206K206-K208 PolarHBondContact O-N 3.45Å
209Q90.7Very high93.5Very high86 Ų8669.7 Ų69.740%0.40236%0.357SS..THydrogen-bonded Turntrans-106.90.6-173.7-65.2-68.3-11.100113.3A55 D56 P207 E211 K212 A213A55-Q209 CarbonylContact O-C 3.26Å; A55-Q209 VanDerWaalsContact O-C 3.26Å; D56-Q209 WeakPolarHBondContact O-CB 3.36Å; D56-Q209 WeakPolarHBondContact O-CG 3.47Å; P207-Q209 PolarHBondContact O-N 2.93Å; Q209-E211 PolarHBondContact O-N 3.39Å; Q209-E211 VanDerWaalsContact O-N 3.07Å; Q209-K212 PolarHBondContact O-N 3.46Å; Q209-A213 HydrophobicContact CB-CB 4.22Å; Q209-A213 VanDerWaalsContact O-CB 3.31Å; Q209-A213 WeakPolarHBondContact O-CB 3.4Å; Q209-A213 PolarHBondContact O-N 3.11Å
210I91.1Very high93.6Very high17 Ų1769.6 Ų69.69%0.08736%0.356CS..Hα-helixtrans-58-34.5-167.6-163.8170.2000113.6A55 F139 K206 P207 K212 V214A55-I210 HydrophobicContact CB-CB 4.31Å; A55-I210 HydrophobicContact CB-CD1 4.2Å; A55-I210 HydrophobicContact CB-CG1 3.87Å; A55-I210 VanDerWaalsContact O-CA 3.26Å; A55-I210 WeakPolarHBondContact O-CA 3.32Å; A55-I210 PolarHBondContact O-N 3.43Å; A55-I210 VanDerWaalsContact O-N 3.08Å; F139-I210 HydrophobicContact CB-CD1 4.01Å; F139-I210 HydrophobicContact CD1-CD1 3.47Å; F139-I210 VanDerWaalsContact CD1-CD1 3.47Å; F139-I210 HydrophobicContact CE1-CD1 4.15Å; F139-I210 HydrophobicContact CG-CD1 3.86Å; K206-I210 HydrophobicContact CD-CG2 4.31Å; K206-I210 HydrophobicContact CG-CG2 4.03Å; P207-I210 HydrophobicContact CB-CB 4.14Å; P207-I210 HydrophobicContact CG-CB 4.44Å; P207-I210 HydrophobicContact CG-CD1 4.23Å; P207-I210 WeakPolarHBondContact O-CG2 3.41Å; P207-I210 PolarHBondContact O-N 2.82Å; I210-K212 VanDerWaalsContact C-N 3.28Å; I210-K212 PolarHBondContact O-N 3.15Å; I210-V214 HydrophobicContact CG1-CG2 3.61Å; I210-V214 WeakPolarHBondContact O-CB 3.09Å; I210-V214 WeakPolarHBondContact O-CG2 3.43Å; I210-V214 PolarHBondContact O-N 2.69Å
211E92.3Very high93.7Very high148 Ų14864.3 Ų64.369%0.69233%0.328SS*.Hα-helixtrans-72-21.1179.9-63.7-177.1179.600113.4K206 Q209 P215K206-E211 IonicContact NZ-OE1 2.58Å; K206-E211 PolarHBondContact NZ-OE1 3.21Å; Q209-E211 PolarHBondContact O-N 3.39Å; Q209-E211 VanDerWaalsContact O-N 3.07Å; E211-P215 WeakPolarHBondContact O-CD 3.32Å; E211-P215 WeakPolarHBondContact O-CG 3.44Å
212K93.3Very high93.7Very high107 Ų10761.4 Ų61.447%0.46531%0.313SS..Hα-helixtrans-100-49.9176.2-178.5-171.1174.5-166.70111Q209 I210 A216Q209-K212 PolarHBondContact O-N 3.46Å; I210-K212 VanDerWaalsContact C-N 3.28Å; I210-K212 PolarHBondContact O-N 3.15Å; K212-A216 WeakPolarHBondContact O-CB 3.28Å; K212-A216 PolarHBondContact O-N 3.3Å
213A96.1Very high93.7Very high1 Ų161.3 Ų61.31%0.00831%0.314CS..Hα-helixtrans-63.1-50.6-173.700000111.9H57 Q209 A216 N217H57-A213 WeakPolarHBondContact O-CB 3.19Å; Q209-A213 HydrophobicContact CB-CB 4.22Å; Q209-A213 VanDerWaalsContact O-CB 3.31Å; Q209-A213 WeakPolarHBondContact O-CB 3.4Å; Q209-A213 PolarHBondContact O-N 3.11Å; A213-A216 PolarHBondContact O-N 3.44Å; A213-N217 VanDerWaalsContact O-CB 3.26Å; A213-N217 WeakPolarHBondContact O-CB 3.43Å; A213-N217 PolarHBondContact O-N 2.7Å; A213-N217 PolarHBondContact O-ND2 3.24Å; A213-N217 VanDerWaalsContact O-ND2 3.17Å
214V96.3Very high93.8Very high30 Ų3058 Ų5818%0.18230%0.299CS..Hα-helixtrans-62.7-51.8-176176.60000111.1A55 Q140 I210 A216 N217 M218A55-V214 HydrophobicContact CB-CG2 4.15Å; Q140-V214 HydrophobicContact CG-CG2 4.33Å; I210-V214 HydrophobicContact CG1-CG2 3.61Å; I210-V214 WeakPolarHBondContact O-CB 3.09Å; I210-V214 WeakPolarHBondContact O-CG2 3.43Å; I210-V214 PolarHBondContact O-N 2.69Å; V214-A216 VanDerWaalsContact C-N 3.3Å; V214-A216 PolarHBondContact O-N 3.33Å; V214-N217 PolarHBondContact O-N 3.22Å; V214-N217 VanDerWaalsContact O-N 3.16Å; V214-M218 HydrophobicContact CG1-CG 4.15Å; V214-M218 VanDerWaalsContact O-CG 3.24Å; V214-M218 WeakPolarHBondContact O-CG 3.43Å; V214-M218 PolarHBondContact O-N 3.31Å
215P96.1Very high93.9Very high55 Ų5557.8 Ų57.836%0.35729%0.294SS..Hα-helixtrans-57.4-39.3177.3-27.938000114E211 M226E211-P215 WeakPolarHBondContact O-CD 3.32Å; E211-P215 WeakPolarHBondContact O-CG 3.44Å; P215-M226 HydrophobicContact CB-CG 3.97Å; P215-M226 HydrophobicContact CB-SD 4.09Å
216A97.4Very high93.9Very high0 Ų054.2 Ų54.20%027%0.267CS..Hα-helixtrans-64.9-45.8176.400000111.7V58 K212 A213 V214 M218 V219 G221 M226V58-A216 HydrophobicContact CB-CB 4.41Å; V58-A216 HydrophobicContact CG1-CB 3.75Å; V58-A216 HydrophobicContact CG2-CB 3.82Å; K212-A216 WeakPolarHBondContact O-CB 3.28Å; K212-A216 PolarHBondContact O-N 3.3Å; A213-A216 PolarHBondContact O-N 3.44Å; V214-A216 VanDerWaalsContact C-N 3.3Å; V214-A216 PolarHBondContact O-N 3.33Å; A216-M218 VanDerWaalsContact C-N 3.31Å; A216-M218 PolarHBondContact O-N 3.45Å; A216-V219 CarbonylContact O-C 3.44Å; A216-V219 WeakPolarHBondContact O-CG2 3.5Å; A216-V219 PolarHBondContact O-N 2.75Å; A216-V219 VanDerWaalsContact O-N 3.09Å; A216-G221 WeakPolarHBondContact O-CA 3.34Å; A216-G221 PolarHBondContact O-N 2.96Å; A216-M226 VanDerWaalsContact CA-SD 3.55Å; A216-M226 HydrophobicContact CB-CG 4.47Å; A216-M226 HydrophobicContact CB-SD 3.53Å; A216-M226 VanDerWaalsContact CB-SD 3.53Å; A216-M226 PolarHBondContact N-SD 3.28Å; A216-M226 VanDerWaalsContact N-SD 3.39Å
217N98.2Very high94Very high4 Ų453.4 Ų53.42%0.02127%0.265CS..Hα-helixtrans-71.4-27.9-176.1-66.1-18.3000112.2A53 H54 H57 V58 T59 A213 V214 V219 D220A53-N217 HydrophobicContact CB-CB 4.31Å; H54-N217 PolarHBondContact N-ND2 3.03Å; H54-N217 PolarHBondContact O-ND2 2.74Å; H57-N217 PolarHBondContact O-ND2 3.39Å; V58-N217 WeakPolarHBondContact CA-OD1 3.34Å; T59-N217 WeakPolarHBondContact CG2-OD1 3.16Å; T59-N217 PolarHBondContact N-OD1 3.35Å; A213-N217 VanDerWaalsContact O-CB 3.26Å; A213-N217 WeakPolarHBondContact O-CB 3.43Å; A213-N217 PolarHBondContact O-N 2.7Å; A213-N217 PolarHBondContact O-ND2 3.24Å; A213-N217 VanDerWaalsContact O-ND2 3.17Å; V214-N217 PolarHBondContact O-N 3.22Å; V214-N217 VanDerWaalsContact O-N 3.16Å; N217-V219 PolarHBondContact O-N 3.35Å; N217-D220 PolarHBondContact O-N 3.34Å
218M97.6Very high94.1Very high62 Ų6256.7 Ų56.731%0.30528%0.278SS..THydrogen-bonded Turntrans-64-18.9171.7-69.3-54.6-67.800113A53 S79 G80 A81 L82 V214 A216A53-M218 HydrophobicContact CB-SD 4.22Å; S79-M218 WeakPolarHBondContact O-CE 3.46Å; G80-M218 WeakPolarHBondContact O-CE 3.43Å; A81-M218 WeakPolarHBondContact CA-O 3.24Å; A81-M218 HydrophobicContact CB-CE 4.29Å; A81-M218 HydrophobicContact CB-SD 3.96Å; L82-M218 PolarHBondContact N-O 3.03Å; V214-M218 HydrophobicContact CG1-CG 4.15Å; V214-M218 VanDerWaalsContact O-CG 3.24Å; V214-M218 WeakPolarHBondContact O-CG 3.43Å; V214-M218 PolarHBondContact O-N 3.31Å; A216-M218 VanDerWaalsContact C-N 3.31Å; A216-M218 PolarHBondContact O-N 3.45Å
219V98Very high94Very high11 Ų1150 Ų507%0.06725%0.252CS..THydrogen-bonded Turntrans-115.536.6174.8-63.20000112.5L82 A216 N217 G221 D222 K225 M226L82-V219 HydrophobicContact CD1-CB 4.49Å; L82-V219 HydrophobicContact CD1-CG1 4.25Å; A216-V219 CarbonylContact O-C 3.44Å; A216-V219 WeakPolarHBondContact O-CG2 3.5Å; A216-V219 PolarHBondContact O-N 2.75Å; A216-V219 VanDerWaalsContact O-N 3.09Å; N217-V219 PolarHBondContact O-N 3.35Å; V219-G221 PolarHBondContact O-N 3.46Å; V219-D222 WeakPolarHBondContact CG2-O 3.39Å; V219-D222 WeakPolarHBondContact O-CB 3.4Å; V219-D222 PolarHBondContact O-N 2.98Å; V219-D222 VanDerWaalsContact O-N 3.07Å; V219-K225 HydrophobicContact CB-CD 4.19Å; V219-K225 HydrophobicContact CB-CG 4.26Å; V219-K225 HydrophobicContact CG1-CD 4.41Å; V219-K225 HydrophobicContact CG1-CG 4.3Å; V219-K225 HydrophobicContact CG2-CB 4.42Å; V219-M226 HydrophobicContact CG2-CB 3.83Å
220D98.1Very high93.7Very high9 Ų950.7 Ų50.75%0.04826%0.258CS..THydrogen-bonded Turntrans62.922.8174.7-160.517000113.9T61 S62 R65 T73 L82 N217 D222T61-D220 VanDerWaalsContact CB-OD1 3.26Å; T61-D220 WeakPolarHBondContact CB-OD1 3.41Å; T61-D220 PolarHBondContact OG1-O 3.19Å; T61-D220 PolarHBondContact OG1-OD1 2.78Å; S62-D220 WeakPolarHBondContact CB-O 3.5Å; S62-D220 PolarHBondContact N-O 3.07Å; S62-D220 VanDerWaalsContact N-O 3.15Å; R65-D220 IonicContact CZ-OD2 3.94Å; R65-D220 IonicContact NH1-OD2 3.44Å; R65-D220 PolarHBondContact NH1-OD2 2.91Å; R65-D220 IonicContact NH2-OD2 3.48Å; R65-D220 PolarHBondContact NH2-OD2 3.42Å; R65-D220 VanDerWaalsContact NH2-OD2 3.16Å; T73-D220 WeakPolarHBondContact CB-OD2 3.47Å; T73-D220 WeakPolarHBondContact CG2-OD2 3.49Å; T73-D220 PolarHBondContact OG1-OD2 3.32Å; L82-D220 WeakPolarHBondContact O-CB 3.4Å; N217-D220 PolarHBondContact O-N 3.34Å; D220-D222 VanDerWaalsContact C-N 3.25Å; D220-D222 PolarHBondContact O-N 3.08Å
221G97.6Very high93.6Very high0 Ų057.6 Ų57.60%028%0.283CS..THydrogen-bonded Turntrans75.910-175.400000114.1T59 A216 V219 V223T59-G221 VanDerWaalsContact CG2-CA 3.5Å; A216-G221 WeakPolarHBondContact O-CA 3.34Å; A216-G221 PolarHBondContact O-N 2.96Å; V219-G221 PolarHBondContact O-N 3.46Å; G221-V223 PolarHBondContact O-N 3.01Å
222D96.2Very high93.5Very high38 Ų3855.9 Ų55.920%0.20327%0.273CS..  trans-73.190.9173-172.5-16.7000110.3V219 D220 T224 K225 M226V219-D222 WeakPolarHBondContact CG2-O 3.39Å; V219-D222 WeakPolarHBondContact O-CB 3.4Å; V219-D222 PolarHBondContact O-N 2.98Å; V219-D222 VanDerWaalsContact O-N 3.07Å; D220-D222 VanDerWaalsContact C-N 3.25Å; D220-D222 PolarHBondContact O-N 3.08Å; D222-T224 VanDerWaalsContact C-N 3.25Å; D222-T224 PolarHBondContact O-N 3.45Å; D222-T224 WeakPolarHBondContact OD1-CB 3.26Å; D222-T224 PolarHBondContact OD1-N 3.48Å; D222-K225 HydrophobicContact CB-CB 3.82Å; D222-K225 VanDerWaalsContact CG-CB 3.42Å; D222-K225 WeakPolarHBondContact O-CB 3.42Å; D222-K225 PolarHBondContact O-N 2.99Å; D222-K225 VanDerWaalsContact O-N 3.13Å; D222-K225 PolarHBondContact OD1-N 2.85Å; D222-M226 PolarHBondContact O-N 3.37Å
223V90.6Very high93.1Very high44 Ų4456.3 Ų56.327%0.26728%0.277SS..Hα-helixtrans-59.8-36.1-177.6-174.40000111.6I28 G221 M226 E227I28-V223 HydrophobicContact CD1-CG2 3.91Å; G221-V223 PolarHBondContact O-N 3.01Å; V223-M226 HydrophobicContact CG1-CE 4.05Å; V223-M226 WeakPolarHBondContact O-CB 3.42Å; V223-M226 PolarHBondContact O-N 3.35Å; V223-E227 WeakPolarHBondContact O-CG 3.4Å; V223-E227 PolarHBondContact O-N 3.12Å
224T92.3Very high92.6Very high80 Ų8060.8 Ų60.849%0.49130%0.304SS..Hα-helixtrans-62.8-47.1176.1-53.40000110.4D222 M226 E227 E228D222-T224 VanDerWaalsContact C-N 3.25Å; D222-T224 PolarHBondContact O-N 3.45Å; D222-T224 WeakPolarHBondContact OD1-CB 3.26Å; D222-T224 PolarHBondContact OD1-N 3.48Å; T224-M226 VanDerWaalsContact C-N 3.33Å; T224-M226 PolarHBondContact O-N 3.23Å; T224-E227 PolarHBondContact O-N 3.28Å; T224-E228 WeakPolarHBondContact O-CG 3.49Å; T224-E228 PolarHBondContact O-N 3.02Å
225K91.6Very high92.3Very high80 Ų8064.8 Ų64.835%0.34832%0.321SS..Hα-helixtrans-65.1-35.8176.6-171.4170.3-177.7174.80112.8V219 D222 N229V219-K225 HydrophobicContact CB-CD 4.19Å; V219-K225 HydrophobicContact CB-CG 4.26Å; V219-K225 HydrophobicContact CG1-CD 4.41Å; V219-K225 HydrophobicContact CG1-CG 4.3Å; V219-K225 HydrophobicContact CG2-CB 4.42Å; D222-K225 HydrophobicContact CB-CB 3.82Å; D222-K225 VanDerWaalsContact CG-CB 3.42Å; D222-K225 WeakPolarHBondContact O-CB 3.42Å; D222-K225 PolarHBondContact O-N 2.99Å; D222-K225 VanDerWaalsContact O-N 3.13Å; D222-K225 PolarHBondContact OD1-N 2.85Å; K225-N229 VanDerWaalsContact O-CG 3.32Å; K225-N229 PolarHBondContact O-N 2.75Å
226M91.6Very high91.7Very high28 Ų2868.3 Ų68.314%0.13833%0.332CS..Hα-helixtrans-61.7-49.5174.2-178.9-160.367.800110.9P215 A216 V219 D222 V223 T224 E228 N229 L230P215-M226 HydrophobicContact CB-CG 3.97Å; P215-M226 HydrophobicContact CB-SD 4.09Å; A216-M226 VanDerWaalsContact CA-SD 3.55Å; A216-M226 HydrophobicContact CB-CG 4.47Å; A216-M226 HydrophobicContact CB-SD 3.53Å; A216-M226 VanDerWaalsContact CB-SD 3.53Å; A216-M226 PolarHBondContact N-SD 3.28Å; A216-M226 VanDerWaalsContact N-SD 3.39Å; V219-M226 HydrophobicContact CG2-CB 3.83Å; D222-M226 PolarHBondContact O-N 3.37Å; V223-M226 HydrophobicContact CG1-CE 4.05Å; V223-M226 WeakPolarHBondContact O-CB 3.42Å; V223-M226 PolarHBondContact O-N 3.35Å; T224-M226 VanDerWaalsContact C-N 3.33Å; T224-M226 PolarHBondContact O-N 3.23Å; M226-E228 VanDerWaalsContact C-N 3.34Å; M226-E228 PolarHBondContact O-N 3.4Å; M226-N229 PolarHBondContact O-N 3.36Å; M226-L230 PolarHBondContact O-N 3.44Å
227E89.7Confident90.9Very high91 Ų9172.4 Ų72.443%0.42536%0.357SS..Hα-helixtrans-61.9-40.8178.8-72.9-179.4179.100112.1V223 T224 L230 R231V223-E227 WeakPolarHBondContact O-CG 3.4Å; V223-E227 PolarHBondContact O-N 3.12Å; T224-E227 PolarHBondContact O-N 3.28Å; E227-L230 PolarHBondContact O-N 2.95Å; E227-R231 VanDerWaalsContact O-CG 3.32Å; E227-R231 WeakPolarHBondContact O-CG 3.1Å; E227-R231 PolarHBondContact O-N 3.46Å
228E91.1Very high90Very high94 Ų9475.3 Ų75.344%0.43938%0.382SS..Hα-helixtrans-60.5-43.2173.8-75.4-178.4-174.600112.5T224 M226 R231 K232T224-E228 WeakPolarHBondContact O-CG 3.49Å; T224-E228 PolarHBondContact O-N 3.02Å; M226-E228 VanDerWaalsContact C-N 3.34Å; M226-E228 PolarHBondContact O-N 3.4Å; E228-R231 PolarHBondContact O-N 3.34Å; E228-K232 WeakPolarHBondContact O-CG 3.36Å; E228-K232 PolarHBondContact O-N 3.06Å
229N87.4Confident88.9Confident65 Ų6580.5 Ų80.535%0.34840%0.403SS..Hα-helixtrans-64.4-41.5177-76.3-13.2000111.7K225 M226 K232 Q233K225-N229 VanDerWaalsContact O-CG 3.32Å; K225-N229 PolarHBondContact O-N 2.75Å; M226-N229 PolarHBondContact O-N 3.36Å; N229-K232 PolarHBondContact O-N 3.21Å; N229-Q233 WeakPolarHBondContact O-CG 3.38Å; N229-Q233 PolarHBondContact O-N 2.58Å
230L85.6Confident87.6Confident101 Ų10186.4 Ų86.453%0.52943%0.433SS..Hα-helixtrans-64.6-43.6178.2-164.671000111.2M226 E227 K232 Q233 V234M226-L230 PolarHBondContact O-N 3.44Å; E227-L230 PolarHBondContact O-N 2.95Å; L230-K232 PolarHBondContact O-N 3.46Å; L230-Q233 PolarHBondContact O-N 3.36Å; L230-V234 WeakPolarHBondContact O-CG2 3.41Å; L230-V234 PolarHBondContact O-N 3.04Å
231R89.5Confident85.4Confident161 Ų16196.1 Ų96.161%0.60848%0.477SS*.Hα-helixtrans-58.3-46.7174.7-72.6175.5-169-175.67.7111.6E227 E228 Q233 V234 E235E227-R231 VanDerWaalsContact O-CG 3.32Å; E227-R231 WeakPolarHBondContact O-CG 3.1Å; E227-R231 PolarHBondContact O-N 3.46Å; E228-R231 PolarHBondContact O-N 3.34Å; R231-Q233 VanDerWaalsContact C-N 3.34Å; R231-Q233 PolarHBondContact O-N 3.26Å; R231-V234 PolarHBondContact O-N 3.26Å; R231-E235 WeakPolarHBondContact O-CG 3.37Å; R231-E235 PolarHBondContact O-N 2.98Å
232K89Confident84.8Confident113 Ų113101 Ų10149%0.49150%0.501SS..Hα-helixtrans-61.4-38.8177.7-74.2169.2-179.9163.80112.7E228 N229 L230 E235 Q236E228-K232 WeakPolarHBondContact O-CG 3.36Å; E228-K232 PolarHBondContact O-N 3.06Å; N229-K232 PolarHBondContact O-N 3.21Å; L230-K232 PolarHBondContact O-N 3.46Å; K232-E235 PolarHBondContact O-N 2.8Å; K232-Q236 WeakPolarHBondContact O-CG 3.32Å; K232-Q236 PolarHBondContact O-N 2.98Å
233Q85Confident84.2Confident115 Ų115104.3 Ų104.354%0.53752%0.517SS..Hα-helixtrans-66.1-41.9176.3-78179.8-12.200112.3N229 L230 R231 Q236 T237N229-Q233 WeakPolarHBondContact O-CG 3.38Å; N229-Q233 PolarHBondContact O-N 2.58Å; L230-Q233 PolarHBondContact O-N 3.36Å; R231-Q233 VanDerWaalsContact C-N 3.34Å; R231-Q233 PolarHBondContact O-N 3.26Å; Q233-Q236 PolarHBondContact O-N 3.41Å; Q233-T237 PolarHBondContact O-N 3Å; Q233-T237 PolarHBondContact O-OG1 3.49Å
234V86.1Confident83.8Confident95 Ų95107.6 Ų107.658%0.57653%0.531SS*.Hα-helixtrans-62.7-45.4175.8172.80000110.6L230 R231 Q236 T237 A238L230-V234 WeakPolarHBondContact O-CG2 3.41Å; L230-V234 PolarHBondContact O-N 3.04Å; R231-V234 PolarHBondContact O-N 3.26Å; V234-Q236 VanDerWaalsContact C-N 3.34Å; V234-Q236 PolarHBondContact O-N 3.2Å; V234-T237 PolarHBondContact O-N 2.94Å; V234-A238 WeakPolarHBondContact O-CB 3.41Å; V234-A238 PolarHBondContact O-N 3.21Å
235E89.3Confident83.3Confident115 Ų115109.2 Ų109.254%0.53753%0.533SS..Hα-helixtrans-62.4-37.5177-73.1176.2-172.800113.1R231 K232 K239R231-E235 WeakPolarHBondContact O-CG 3.37Å; R231-E235 PolarHBondContact O-N 2.98Å; K232-E235 PolarHBondContact O-N 2.8Å; E235-K239 WeakPolarHBondContact O-CG 3.4Å; E235-K239 PolarHBondContact O-N 3.28Å
236Q83Confident82.8Confident129 Ų129111.1 Ų111.160%0.60355%0.545SS*.Hα-helixtrans-68-42.4175.4-78.3177.2-8.400111.9K232 Q233 V234 A238 K239 I240K232-Q236 WeakPolarHBondContact O-CG 3.32Å; K232-Q236 PolarHBondContact O-N 2.98Å; Q233-Q236 PolarHBondContact O-N 3.41Å; V234-Q236 VanDerWaalsContact C-N 3.34Å; V234-Q236 PolarHBondContact O-N 3.2Å; Q236-A238 VanDerWaalsContact C-N 3.33Å; Q236-A238 PolarHBondContact O-N 3.48Å; Q236-K239 PolarHBondContact O-N 3.42Å; Q236-I240 WeakPolarHBondContact O-CG1 3.44Å
237T81.6Confident82.2Confident85 Ų85116.6 Ų116.652%0.52157%0.572SS.*Hα-helixtrans-65.5-39.4179-49.60000110.8Q233 V234 K239 I240Q233-T237 PolarHBondContact O-N 3Å; Q233-T237 PolarHBondContact O-OG1 3.49Å; V234-T237 PolarHBondContact O-N 2.94Å; T237-K239 PolarHBondContact O-N 3.3Å; T237-I240 PolarHBondContact O-N 3.31Å
238A78.8Confident81.7Confident65 Ų65118.4 Ų118.454%0.53758%0.582SS.*Hα-helixtrans-67.5-19.4176.400000114.1V234 Q236V234-A238 WeakPolarHBondContact O-CB 3.41Å; V234-A238 PolarHBondContact O-N 3.21Å; Q236-A238 VanDerWaalsContact C-N 3.33Å; Q236-A238 PolarHBondContact O-N 3.48Å
239K75.1Confident81Confident171 Ų171120.3 Ų120.374%0.74359%0.593SS**THydrogen-bonded Turntrans-85.8-9.8175.5-75.8173.9177.2173.50113.7E235 Q236 T237E235-K239 WeakPolarHBondContact O-CG 3.4Å; E235-K239 PolarHBondContact O-N 3.28Å; Q236-K239 PolarHBondContact O-N 3.42Å; T237-K239 PolarHBondContact O-N 3.3Å
240I70.5Confident80.4Confident136 Ų136124.9 Ų124.970%0.69761%0.614SS**  trans-98.2-1.4-178.5-62.2167.9000110.9Q236 T237Q236-I240 WeakPolarHBondContact O-CG1 3.44Å; T237-I240 PolarHBondContact O-N 3.31Å
241H51.6Low80Confident213 Ų213127.1 Ų127.199%0.98662%0.622SS**  trans-120.80175.6-68.7-15.8000110.7

Retrieved 241 of 241 residues in 164.3 ms (Link to these results)

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