A0A096MR79_PAPAN Loading...

Beta-crystallin A2

Crystallins are the dominant structural components of the vertebrate eye lens.

AlphaFold DB , UniProt , Accession A0A096MR79, Species PAPAN (Papio anubis, Olive baboon), Gene CRYBA2, Length 197 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
1M47.3Very low62.7Low247 Ų247114.3 Ų114.3100%1.21778%0.775SS**  0104.30-72.6170.2162.200107S3M1-S3 PolarHBondContact O-N 3.48Å
2S53.4Low65.4Low125 Ų125106.2 Ų106.287%0.87472%0.722SS**PPolyproline II helixtrans-78.6116.8177.5-172.30000107.9A4S2-A4 PolarHBondContact O-N 3.44Å
3S55.8Low67.9Low105 Ų10598.1 Ų98.173%0.73467%0.667SS**PPolyproline II helixtrans-60132.7169.249.80000108.8M1M1-S3 PolarHBondContact O-N 3.48Å
4A59.3Low70Confident87 Ų8791.1 Ų91.172%0.71962%0.619SS**PPolyproline II helixtrans-57.1140.5171.300000109.3S2 A6S2-A4 PolarHBondContact O-N 3.44Å; A4-A6 PolarHBondContact O-N 3.46Å
5P52.9Low71.9Confident124 Ų12485.6 Ų85.681%0.80558%0.582SS**PPolyproline II helixtrans-57.4139.7174.424.2-31.4000109
6A55.7Low73.5Confident89 Ų8980.3 Ų80.374%0.73655%0.545SS*.PPolyproline II helixtrans-52.4137.7173.700000108.9A4 G8A4-A6 PolarHBondContact O-N 3.46Å; A6-G8 PolarHBondContact O-N 3.24Å
7P58.4Low75Confident129 Ų12976.9 Ų76.984%0.83852%0.519SS*.PPolyproline II helixtrans-55.2131.9176.622.3-30.7000108.6
8G65.1Low76.2Confident57 Ų5775.4 Ų75.459%0.58850%0.504SS*.PPolyproline II helixtrans-56.7166.9174.600000111.4A6 A10A6-G8 PolarHBondContact O-N 3.24Å; G8-A10 PolarHBondContact O-N 3.32Å
9P71.5Confident77.3Confident134 Ų13476.9 Ų76.987%0.8750%0.504SS*.PPolyproline II helixtrans-52.8135.1178.821.1-30.9000110.5
10A81.3Confident78.3Confident59 Ų5977.2 Ų77.249%0.48850%0.497SS..PPolyproline II helixtrans-60.6140-178.300000110.2G8G8-A10 PolarHBondContact O-N 3.32Å
11P89.6Confident79.2Confident101 Ų10178.1 Ų78.166%0.65650%0.498SS*.PPolyproline II helixtrans-62.7148.6177.727.3-34.5000110.7S13 N52P11-S13 PolarHBondContact O-N 3.34Å; P11-N52 VanDerWaalsContact O-CB 3.27Å; P11-N52 WeakPolarHBondContact O-CB 3.38Å
12A94.6Very high81.6Confident17 Ų1768.4 Ų68.414%0.1445%0.449CS..PPolyproline II helixtrans-57.1134.1175.900000110.5N52 W55 P97A12-N52 CarbonylContact C-O 3.57Å; A12-N52 VanDerWaalsContact CA-O 3.31Å; A12-N52 WeakPolarHBondContact CA-O 3.27Å; A12-W55 HydrophobicContact CB-CZ2 3.99Å; A12-P97 HydrophobicContact CB-CB 3.92Å
13S97.4Very high83.8Confident1 Ų167.8 Ų67.81%0.00743%0.433CS..EExtended strand (participates in β ladder)trans-145142176.577.30000112.5P11 L29 E51 N52 W55P11-S13 PolarHBondContact O-N 3.34Å; S13-L29 WeakPolarHBondContact CA-O 3.38Å; S13-E51 WeakPolarHBondContact CB-OE2 3.15Å; S13-E51 PolarHBondContact O-N 2.69Å; S13-E51 VanDerWaalsContact O-OE2 3.07Å; S13-E51 PolarHBondContact OG-OE2 3.09Å; S13-N52 PolarHBondContact N-O 3.47Å; S13-N52 PolarHBondContact O-N 3.15Å; S13-N52 PolarHBondContact OG-ND2 2.76Å; S13-W55 PolarHBondContact O-NE1 2.75Å
14L98Very high85.7Confident0 Ų065 Ų650%042%0.421CS..EExtended strand (participates in β ladder)trans-139.1133.6-177.8-176.365.8000109L16 R28 L29 V48 K49 V50 E51 W55 F95L14-L16 HydrophobicContact CD2-CD2 3.82Å; L14-L16 HydrophobicContact CD2-CG 4.5Å; L14-L16 HydrophobicContact CG-CD2 3.91Å; L14-L16 HydrophobicContact CG-CG 4.46Å; L14-R28 CarbonylContact O-C 3.55Å; L14-R28 WeakPolarHBondContact O-CA 3.25Å; L14-L29 HydrophobicContact CB-CB 4.43Å; L14-L29 HydrophobicContact CD2-CD1 4.39Å; L14-L29 PolarHBondContact N-O 3.45Å; L14-L29 PolarHBondContact O-N 2.96Å; L14-V48 HydrophobicContact CD1-CG1 3.21Å; L14-V48 HydrophobicContact CD2-CG1 4.44Å; L14-V48 HydrophobicContact CG-CG1 4.02Å; L14-K49 CarbonylContact C-O 3.59Å; L14-K49 WeakPolarHBondContact CA-O 3.17Å; L14-K49 WeakPolarHBondContact CD1-O 3.38Å; L14-V50 HydrophobicContact CD1-CB 4.06Å; L14-V50 HydrophobicContact CD1-CG2 3.38Å; L14-E51 PolarHBondContact N-OE2 3.01Å; L14-W55 HydrophobicContact CB-CD2 3.81Å; L14-W55 HydrophobicContact CB-CE3 4.27Å; L14-W55 HydrophobicContact CB-CG 4.2Å; L14-W55 HydrophobicContact CB-CH2 4.34Å; L14-W55 HydrophobicContact CB-CZ2 3.9Å; L14-W55 HydrophobicContact CD2-CB 4.24Å; L14-W55 HydrophobicContact CD2-CD2 3.85Å; L14-W55 HydrophobicContact CD2-CE3 3.85Å; L14-W55 HydrophobicContact CD2-CG 4.02Å; L14-W55 HydrophobicContact CD2-CZ3 4.49Å; L14-W55 HydrophobicContact CG-CD2 4.4Å; L14-F95 HydrophobicContact CD2-CB 4.44Å; L14-F95 HydrophobicContact CD2-CD1 3.58Å; L14-F95 HydrophobicContact CD2-CE1 4.14Å; L14-F95 HydrophobicContact CD2-CG 4.21Å
15T98.3Very high87.5Confident9 Ų968.1 Ų68.16%0.05541%0.414CS..EExtended strand (participates in β ladder)trans-113.3136.4168-55.50000110.2W17 R26 V48 K49 E51T15-W17 VanDerWaalsContact C-CZ3 3.45Å; T15-W17 VanDerWaalsContact CB-CZ3 3.46Å; T15-W17 HydrophobicContact CG2-CD2 4.17Å; T15-W17 HydrophobicContact CG2-CE3 3.94Å; T15-W17 HydrophobicContact CG2-CH2 3.22Å; T15-W17 HydrophobicContact CG2-CZ2 3.49Å; T15-W17 VanDerWaalsContact CG2-CZ2 3.49Å; T15-W17 HydrophobicContact CG2-CZ3 3.47Å; T15-W17 VanDerWaalsContact CG2-CZ3 3.47Å; T15-W17 WeakPolarHBondContact O-CZ3 3.21Å; T15-R26 HydrophobicContact CG2-CB 4.2Å; T15-V48 WeakPolarHBondContact O-CA 3.23Å; T15-K49 PolarHBondContact N-O 2.99Å; T15-K49 PolarHBondContact O-N 2.75Å; T15-E51 WeakPolarHBondContact CB-OE1 3.39Å; T15-E51 PolarHBondContact N-OE1 2.54Å; T15-E51 PolarHBondContact OG1-OE1 3.41Å
16L98.2Very high89.5Confident0 Ų070.9 Ų70.90%041%0.408CS..EExtended strand (participates in β ladder)trans-116.9145.5-178.2-53.8176.5000109.3L14 R26 C27 L29 V36 L42 V45 V48 F95L14-L16 HydrophobicContact CD2-CD2 3.82Å; L14-L16 HydrophobicContact CD2-CG 4.5Å; L14-L16 HydrophobicContact CG-CD2 3.91Å; L14-L16 HydrophobicContact CG-CG 4.46Å; L16-R26 CarbonylContact O-C 3.59Å; L16-R26 WeakPolarHBondContact O-CA 3.43Å; L16-R26 WeakPolarHBondContact O-CB 3.4Å; L16-C27 PolarHBondContact N-O 3.5Å; L16-C27 PolarHBondContact O-N 3.03Å; L16-L29 HydrophobicContact CD1-CD1 3.63Å; L16-L29 HydrophobicContact CD1-CG 4.1Å; L16-L29 HydrophobicContact CG-CD1 4.41Å; L16-V36 HydrophobicContact CD1-CG2 3.61Å; L16-L42 HydrophobicContact CB-CD1 3.65Å; L16-V45 HydrophobicContact CB-CG1 4.33Å; L16-V45 HydrophobicContact CB-CG2 4.36Å; L16-V45 HydrophobicContact CD1-CG2 4.25Å; L16-V45 HydrophobicContact CD2-CG1 4.08Å; L16-V48 HydrophobicContact CD2-CB 4.3Å; L16-V48 HydrophobicContact CD2-CG1 3.84Å; L16-V48 HydrophobicContact CD2-CG2 3.73Å; L16-F95 HydrophobicContact CD1-CD2 3.91Å; L16-F95 HydrophobicContact CD1-CE1 4.22Å; L16-F95 HydrophobicContact CD1-CE2 3.52Å; L16-F95 HydrophobicContact CD1-CG 4.44Å; L16-F95 HydrophobicContact CD1-CZ 3.68Å; L16-F95 HydrophobicContact CD2-CD1 4.33Å; L16-F95 HydrophobicContact CD2-CE1 3.68Å; L16-F95 HydrophobicContact CD2-CE2 4.42Å; L16-F95 HydrophobicContact CD2-CZ 3.74Å; L16-F95 HydrophobicContact CG-CZ 4.39Å
17W98Very high91.5Very high24 Ų2467.6 Ų67.69%0.09138%0.379CS..EExtended strand (participates in β ladder)trans-131.1148.3175.9-72.8-99.3000111.2T15 F22 Q23 R25 R26 V45 R46 S47 K49T15-W17 VanDerWaalsContact C-CZ3 3.45Å; T15-W17 VanDerWaalsContact CB-CZ3 3.46Å; T15-W17 HydrophobicContact CG2-CD2 4.17Å; T15-W17 HydrophobicContact CG2-CE3 3.94Å; T15-W17 HydrophobicContact CG2-CH2 3.22Å; T15-W17 HydrophobicContact CG2-CZ2 3.49Å; T15-W17 VanDerWaalsContact CG2-CZ2 3.49Å; T15-W17 HydrophobicContact CG2-CZ3 3.47Å; T15-W17 VanDerWaalsContact CG2-CZ3 3.47Å; T15-W17 WeakPolarHBondContact O-CZ3 3.21Å; W17-F22 VanDerWaalsContact CD1-O 3.27Å; W17-F22 HydrophobicContact CD2-CB 4.05Å; W17-F22 HydrophobicContact CD2-CD1 4.45Å; W17-F22 HydrophobicContact CE3-CB 4.34Å; W17-F22 AromaticContact CE3-CD1 3.94Å; W17-F22 HydrophobicContact CE3-CD1 3.94Å; W17-F22 HydrophobicContact CG-CB 4.48Å; W17-F22 HydrophobicContact CH2-CB 4.45Å; W17-F22 HydrophobicContact CH2-CD1 4.45Å; W17-F22 HydrophobicContact CZ2-CB 4.14Å; W17-F22 AromaticContact CZ3-CD1 3.94Å; W17-F22 HydrophobicContact CZ3-CD1 3.94Å; W17-F22 PolarHBondContact NE1-O 3.06Å; W17-Q23 WeakPolarHBondContact CB-O 3.45Å; W17-R25 WeakPolarHBondContact CA-O 3.34Å; W17-R26 HydrophobicContact CD2-CB 4.29Å; W17-R26 HydrophobicContact CG-CB 4.12Å; W17-V45 CarbonylContact O-C 3.51Å; W17-V45 WeakPolarHBondContact O-CA 3.23Å; W17-R46 PolarHBondContact O-N 3.2Å; W17-S47 WeakPolarHBondContact CB-OG 3.33Å; W17-S47 PolarHBondContact N-O 3.28Å; W17-S47 PolarHBondContact O-N 2.93Å; W17-K49 HydrophobicContact CH2-CB 4.01Å; W17-K49 HydrophobicContact CH2-CD 3.82Å; W17-K49 HydrophobicContact CH2-CG 3.81Å; W17-K49 HydrophobicContact CZ3-CB 3.75Å; W17-K49 HydrophobicContact CZ3-CD 4.16Å; W17-K49 HydrophobicContact CZ3-CG 3.61Å
18D96.5Very high93.3Very high49 Ų4968.5 Ų68.526%0.26237%0.366SS..SBendtrans-86.1-5.6176.964.9-6.3000114.7G24 R25 L42 R44 R46D18-G24 WeakPolarHBondContact OD1-CA 3.41Å; D18-R25 PolarHBondContact N-O 3.45Å; D18-R25 VanDerWaalsContact N-O 3.1Å; D18-R25 PolarHBondContact OD1-N 3.25Å; D18-R25 WeakPolarHBondContact OD2-CB 3.47Å; D18-L42 HydrophobicContact CB-CD2 3.99Å; D18-R44 WeakPolarHBondContact CA-O 3.31Å; D18-R44 WeakPolarHBondContact CB-O 3.44Å; D18-R46 WeakPolarHBondContact O-CG 3.27Å
19E97.3Very high94.9Very high105 Ų10565.8 Ų65.849%0.49134%0.338SS..SBendtrans-118.7162169.3-61.7178-170.400111.9Q23 R46 S47E19-Q23 HydrophobicContact CB-CB 4.01Å; E19-R46 WeakPolarHBondContact O-CB 3.42Å; E19-S47 WeakPolarHBondContact O-CB 3.4Å; E19-S47 PolarHBondContact O-N 2.85Å; E19-S47 PolarHBondContact O-OG 2.87Å
20E97.1Very high96.1Very high81 Ų8164.3 Ų64.338%0.37932%0.322SS..G310 helixtrans-68.8166.1174.5-64.4-169.4167.500110.3F22 Q23 R46 P76 R77E20-F22 PolarHBondContact O-N 2.56Å; E20-Q23 PolarHBondContact O-N 2.9Å; E20-R46 HydrophobicContact CG-CB 4.09Å; E20-P76 CarbonylContact C-O 3.51Å; E20-P76 WeakPolarHBondContact CA-O 3.37Å; E20-P76 WeakPolarHBondContact CB-O 3.34Å; E20-R77 HydrophobicContact CG-CB 4.08Å
21D98.1Very high96.8Very high97 Ų9763.5 Ų63.552%0.51931%0.313SS..G310 helixtrans53.933.3176.5-59.1-52.4000114.3Q23 P76D21-Q23 VanDerWaalsContact C-N 3.33Å; D21-Q23 PolarHBondContact O-N 3.43Å; D21-Q23 PolarHBondContact O-NE2 3.4Å; D21-P76 PolarHBondContact N-O 3.29Å; D21-P76 WeakPolarHBondContact OD1-CB 3.39Å
22F98Very high97.1Very high43 Ų4363.2 Ų63.219%0.18931%0.306CS..G310 helixtrans6334.7173.6-37-67.4000113.9W17 E20 S47 V48 K49 D74 P76W17-F22 VanDerWaalsContact CD1-O 3.27Å; W17-F22 HydrophobicContact CD2-CB 4.05Å; W17-F22 HydrophobicContact CD2-CD1 4.45Å; W17-F22 HydrophobicContact CE3-CB 4.34Å; W17-F22 AromaticContact CE3-CD1 3.94Å; W17-F22 HydrophobicContact CE3-CD1 3.94Å; W17-F22 HydrophobicContact CG-CB 4.48Å; W17-F22 HydrophobicContact CH2-CB 4.45Å; W17-F22 HydrophobicContact CH2-CD1 4.45Å; W17-F22 HydrophobicContact CZ2-CB 4.14Å; W17-F22 AromaticContact CZ3-CD1 3.94Å; W17-F22 HydrophobicContact CZ3-CD1 3.94Å; W17-F22 PolarHBondContact NE1-O 3.06Å; E20-F22 PolarHBondContact O-N 2.56Å; F22-S47 VanDerWaalsContact CA-OG 3.25Å; F22-S47 WeakPolarHBondContact CA-OG 3.49Å; F22-S47 PolarHBondContact N-OG 2.97Å; F22-V48 WeakPolarHBondContact CE1-O 3.4Å; F22-K49 HydrophobicContact CD1-CD 4.07Å; F22-K49 VanDerWaalsContact CD1-CE 3.41Å; F22-K49 HydrophobicContact CD1-CG 3.57Å; F22-K49 HydrophobicContact CE1-CD 4.17Å; F22-K49 HydrophobicContact CE1-CG 3.43Å; F22-K49 VanDerWaalsContact CE1-CG 3.43Å; F22-K49 HydrophobicContact CG-CD 4.32Å; F22-K49 HydrophobicContact CG-CG 4.31Å; F22-K49 HydrophobicContact CZ-CG 4.07Å; F22-D74 HydrophobicContact CE2-CB 4.48Å; F22-D74 HydrophobicContact CZ-CB 3.82Å; F22-P76 HydrophobicContact CE2-CB 4.18Å; F22-P76 HydrophobicContact CZ-CB 3.94Å
23Q98Very high97.3Very high113 Ų11362.5 Ų62.553%0.52830%0.3SS..  trans-103.6172.8179.1-57.2-52.7-5600112.9W17 E19 E20 D21W17-Q23 WeakPolarHBondContact CB-O 3.45Å; E19-Q23 HydrophobicContact CB-CB 4.01Å; E20-Q23 PolarHBondContact O-N 2.9Å; D21-Q23 VanDerWaalsContact C-N 3.33Å; D21-Q23 PolarHBondContact O-N 3.43Å; D21-Q23 PolarHBondContact O-NE2 3.4Å
24G96.8Very high97.3Very high46 Ų4664 Ų6447%0.47431%0.313SS..SBendtrans78-151.8175.800000114.3D18D18-G24 WeakPolarHBondContact OD1-CA 3.41Å
25R96.3Very high97.2Very high153 Ų15365.4 Ų65.458%0.57732%0.32SS*.SBendtrans-73.7138.7177.8-173.9-178-68.2-174.9-4.2109.1W17 D18 G41 L42W17-R25 WeakPolarHBondContact CA-O 3.34Å; D18-R25 PolarHBondContact N-O 3.45Å; D18-R25 VanDerWaalsContact N-O 3.1Å; D18-R25 PolarHBondContact OD1-N 3.25Å; D18-R25 WeakPolarHBondContact OD2-CB 3.47Å; R25-G41 PolarHBondContact NH1-O 2.73Å; R25-L42 HydrophobicContact CB-CD2 3.89Å; R25-L42 HydrophobicContact CG-CD2 3.73Å; R25-L42 WeakPolarHBondContact O-CD2 3.38Å
26R96.3Very high97.1Very high182 Ų18265 Ų6569%0.68732%0.317SS*.EExtended strand (participates in β ladder)trans-120.3150.8177.371.7-179.9-179.2170.2-1.2113.6T15 L16 W17T15-R26 HydrophobicContact CG2-CB 4.2Å; L16-R26 CarbonylContact O-C 3.59Å; L16-R26 WeakPolarHBondContact O-CA 3.43Å; L16-R26 WeakPolarHBondContact O-CB 3.4Å; W17-R26 HydrophobicContact CD2-CB 4.29Å; W17-R26 HydrophobicContact CG-CB 4.12Å
27C97Very high96.9Very high19 Ų1967.2 Ų67.213%0.12833%0.333CS..EExtended strand (participates in β ladder)trans-133.3130.8170.4-177.20000109.4L16 G40 L42L16-C27 PolarHBondContact N-O 3.5Å; L16-C27 PolarHBondContact O-N 3.03Å; C27-G40 WeakPolarHBondContact SG-CA 3.44Å; C27-L42 HydrophobicContact CB-CD1 3.5Å; C27-L42 HydrophobicContact CB-CG 3.96Å
28R97.1Very high96.6Very high149 Ų14973.7 Ų73.756%0.56236%0.364SS*.EExtended strand (participates in β ladder)trans-102.1130.6175.5-171.4176.1-175-165.3-1.2110.2L14L14-R28 CarbonylContact O-C 3.55Å; L14-R28 WeakPolarHBondContact O-CA 3.25Å
29L97.6Very high96.1Very high0 Ų077.6 Ų77.60%038%0.375CS..EExtended strand (participates in β ladder)trans-110136177.1-48.6-176.2000109.9S13 L14 L16 C33 W55 F95S13-L29 WeakPolarHBondContact CA-O 3.38Å; L14-L29 HydrophobicContact CB-CB 4.43Å; L14-L29 HydrophobicContact CD2-CD1 4.39Å; L14-L29 PolarHBondContact N-O 3.45Å; L14-L29 PolarHBondContact O-N 2.96Å; L16-L29 HydrophobicContact CD1-CD1 3.63Å; L16-L29 HydrophobicContact CD1-CG 4.1Å; L16-L29 HydrophobicContact CG-CD1 4.41Å; L29-C33 HydrophobicContact CD1-CB 3.79Å; L29-C33 HydrophobicContact CD2-CB 4.06Å; L29-W55 HydrophobicContact CB-CH2 3.77Å; L29-W55 HydrophobicContact CB-CZ3 3.99Å; L29-W55 HydrophobicContact CD1-CZ3 4.47Å; L29-F95 HydrophobicContact CD1-CB 3.73Å; L29-F95 HydrophobicContact CD1-CD2 3.89Å; L29-F95 HydrophobicContact CD1-CG 3.86Å
30L96.4Very high95.2Very high103 Ų10373.4 Ų73.454%0.53936%0.36SS..SBendtrans-123.1-1.9175.5-58.9177.7000112.2
31S96.1Very high94.8Very high42 Ų4271 Ų7129%0.29436%0.357SS..SBendtrans-149.7177.7-177.266.20000108.3R39 W55S31-R39 PolarHBondContact OG-NH2 3.2Å; S31-W55 VanDerWaalsContact O-CH2 3.32Å; S31-W55 WeakPolarHBondContact O-CH2 3.37Å; S31-W55 VanDerWaalsContact O-CZ3 3.27Å; S31-W55 WeakPolarHBondContact O-CZ3 3.42Å
32D97.2Very high94.5Very high94 Ų9466.3 Ų66.350%0.50333%0.332SS..  trans-51.4149.7167.363.8-56000112.8F63 F95 R96D32-F63 HydrophobicContact CB-CZ 4.17Å; D32-F95 CarbonylContact C-O 3.59Å; D32-F95 WeakPolarHBondContact CA-O 3.39Å; D32-R96 HydrophobicContact CB-CB 4.17Å
33C97.7Very high94Very high2 Ų274.8 Ų74.81%0.01436%0.362CS..BIsolated β-bridgetrans-145.397.9180-178.70000108.2L29 N35 S94 F95L29-C33 HydrophobicContact CD1-CB 3.79Å; L29-C33 HydrophobicContact CD2-CB 4.06Å; C33-N35 VanDerWaalsContact C-N 3.27Å; C33-N35 PolarHBondContact O-N 3.13Å; C33-S94 CarbonylContact O-C 3.59Å; C33-S94 WeakPolarHBondContact O-CA 3.36Å; C33-S94 VanDerWaalsContact O-CB 3.26Å; C33-S94 WeakPolarHBondContact O-CB 3Å; C33-F95 PolarHBondContact N-O 3.43Å; C33-F95 PolarHBondContact O-N 3.01Å
34A97.6Very high93.8Very high34 Ų3476.7 Ų76.728%0.28137%0.365SS..SBendtrans-68.8-23-179.400000113.4P61 D62 F63 S94A34-P61 CarbonylContact O-C 3.49Å; A34-P61 VanDerWaalsContact O-CA 3.22Å; A34-P61 WeakPolarHBondContact O-CA 3.29Å; A34-P61 WeakPolarHBondContact O-CB 3.47Å; A34-D62 PolarHBondContact O-N 2.79Å; A34-F63 HydrophobicContact CB-CE2 4.27Å; A34-F63 HydrophobicContact CB-CZ 4.01Å; A34-S94 WeakPolarHBondContact O-CB 3.29Å
35N96.9Very high93.7Very high28 Ų2874.5 Ų74.515%0.1534%0.342CS..  trans-152.2108.1174.9-169.9-18.3000111.5C33 C37 E38 R39 P61 L93C33-N35 VanDerWaalsContact C-N 3.27Å; C33-N35 PolarHBondContact O-N 3.13Å; N35-C37 VanDerWaalsContact C-N 3.29Å; N35-C37 PolarHBondContact O-N 2.99Å; N35-C37 VanDerWaalsContact OD1-CB 3.26Å; N35-C37 WeakPolarHBondContact OD1-CB 3.46Å; N35-C37 PolarHBondContact OD1-N 3.41Å; N35-E38 HydrophobicContact CB-CB 4.27Å; N35-E38 HydrophobicContact CB-CG 4.31Å; N35-E38 VanDerWaalsContact ND2-CD 3.29Å; N35-E38 PolarHBondContact ND2-OE1 2.95Å; N35-E38 PolarHBondContact O-N 2.8Å; N35-R39 PolarHBondContact O-N 2.93Å; N35-P61 HydrophobicContact CB-CB 4.35Å; N35-L93 WeakPolarHBondContact CA-O 3.45Å
36V95.8Very high93.7Very high0 Ų069.9 Ų69.90%033%0.325CS..Hα-helixtrans-70-25.2-179.476.50000112.8L16 E38 G40 G41 L42 V45 L93 F95L16-V36 HydrophobicContact CD1-CG2 3.61Å; V36-E38 VanDerWaalsContact C-N 3.34Å; V36-G40 CarbonylContact O-C 3.44Å; V36-G40 VanDerWaalsContact O-CA 3.22Å; V36-G40 WeakPolarHBondContact O-CA 3.44Å; V36-G40 PolarHBondContact O-N 3.3Å; V36-G41 PolarHBondContact O-N 3.07Å; V36-L42 HydrophobicContact CG2-CB 4.2Å; V36-L42 HydrophobicContact CG2-CD1 4.18Å; V36-L42 PolarHBondContact O-N 3.5Å; V36-V45 HydrophobicContact CG1-CG2 4.21Å; V36-L93 HydrophobicContact CG1-CD2 4.33Å; V36-L93 PolarHBondContact N-O 2.71Å; V36-F95 HydrophobicContact CB-CD2 4.47Å; V36-F95 HydrophobicContact CB-CE2 4.12Å; V36-F95 HydrophobicContact CG1-CE2 4.31Å; V36-F95 HydrophobicContact CG2-CE2 4.35Å
37C93.5Very high93.8Very high47 Ų4761.2 Ų61.232%0.31829%0.292SS..Hα-helixtrans-64.7-42.3175.6-65.50000110.9N35 G41 L42N35-C37 VanDerWaalsContact C-N 3.29Å; N35-C37 PolarHBondContact O-N 2.99Å; N35-C37 VanDerWaalsContact OD1-CB 3.26Å; N35-C37 WeakPolarHBondContact OD1-CB 3.46Å; N35-C37 PolarHBondContact OD1-N 3.41Å; C37-G41 VanDerWaalsContact O-CA 3.28Å; C37-G41 WeakPolarHBondContact O-CA 3.45Å; C37-G41 PolarHBondContact O-N 3.42Å; C37-L42 WeakPolarHBondContact CA-O 3.23Å; C37-L42 PolarHBondContact SG-O 3.14Å
38E91.1Very high93.8Very high160 Ų16060.3 Ų60.375%0.74829%0.286SS*.Hα-helixtrans-78.6-48.5-178.3-69.5173.2-160.800111.9N35 V36N35-E38 HydrophobicContact CB-CB 4.27Å; N35-E38 HydrophobicContact CB-CG 4.31Å; N35-E38 VanDerWaalsContact ND2-CD 3.29Å; N35-E38 PolarHBondContact ND2-OE1 2.95Å; N35-E38 PolarHBondContact O-N 2.8Å; V36-E38 VanDerWaalsContact C-N 3.34Å
39R86.8Confident93.9Very high131 Ų13155.8 Ų55.849%0.49427%0.271SS..Hα-helixtrans-79.3-39.6-175.5-173.5174.7-176.5-109.712.8113.2S31 N35S31-R39 PolarHBondContact OG-NH2 3.2Å; N35-R39 PolarHBondContact O-N 2.93Å
40G77.8Confident93.9Very high17 Ų1756 Ų5618%0.17527%0.272CS..Hα-helixtrans-102.6-11.2-173.100000114.4C27 V36 L42C27-G40 WeakPolarHBondContact SG-CA 3.44Å; V36-G40 CarbonylContact O-C 3.44Å; V36-G40 VanDerWaalsContact O-CA 3.22Å; V36-G40 WeakPolarHBondContact O-CA 3.44Å; V36-G40 PolarHBondContact O-N 3.3Å; G40-L42 PolarHBondContact O-N 3.02Å; G40-L42 VanDerWaalsContact O-N 3.16Å
41G88.4Confident93.9Very high30 Ų3053.7 Ų53.731%0.30926%0.258SS..  trans6217.4-173.200000113.4R25 V36 C37R25-G41 PolarHBondContact NH1-O 2.73Å; V36-G41 PolarHBondContact O-N 3.07Å; C37-G41 VanDerWaalsContact O-CA 3.28Å; C37-G41 WeakPolarHBondContact O-CA 3.45Å; C37-G41 PolarHBondContact O-N 3.42Å
42L91.7Very high93.9Very high0 Ų054 Ų540%026%0.256CS..  trans-95.4110177.4-62.8-179.8000108.5L16 D18 R25 C27 V36 C37 G40 R44L16-L42 HydrophobicContact CB-CD1 3.65Å; D18-L42 HydrophobicContact CB-CD2 3.99Å; R25-L42 HydrophobicContact CB-CD2 3.89Å; R25-L42 HydrophobicContact CG-CD2 3.73Å; R25-L42 WeakPolarHBondContact O-CD2 3.38Å; C27-L42 HydrophobicContact CB-CD1 3.5Å; C27-L42 HydrophobicContact CB-CG 3.96Å; V36-L42 HydrophobicContact CG2-CB 4.2Å; V36-L42 HydrophobicContact CG2-CD1 4.18Å; V36-L42 PolarHBondContact O-N 3.5Å; C37-L42 WeakPolarHBondContact CA-O 3.23Å; C37-L42 PolarHBondContact SG-O 3.14Å; G40-L42 PolarHBondContact O-N 3.02Å; G40-L42 VanDerWaalsContact O-N 3.16Å; L42-R44 PolarHBondContact O-N 3.45Å
43R88.9Confident93.8Very high220 Ų22050.6 Ų50.683%0.8324%0.244SC*.SBendtrans-72.7-21.4177.3-72.6-174.5167.5177.3-3.5113.2
44R92.1Very high93.8Very high153 Ų15350.6 Ų50.658%0.57724%0.244SC*.  trans-148.2150.7178.2-66.6-175.5177.3164.4-2.6108.3D18 L42D18-R44 WeakPolarHBondContact CA-O 3.31Å; D18-R44 WeakPolarHBondContact CB-O 3.44Å; L42-R44 PolarHBondContact O-N 3.45Å
45V96.1Very high93.8Very high1 Ų149 Ų491%0.00623%0.231CC..  trans-112128.9170177.20000107.4L16 W17 V36 V48 L92 F95L16-V45 HydrophobicContact CB-CG1 4.33Å; L16-V45 HydrophobicContact CB-CG2 4.36Å; L16-V45 HydrophobicContact CD1-CG2 4.25Å; L16-V45 HydrophobicContact CD2-CG1 4.08Å; W17-V45 CarbonylContact O-C 3.51Å; W17-V45 WeakPolarHBondContact O-CA 3.23Å; V36-V45 HydrophobicContact CG1-CG2 4.21Å; V45-V48 HydrophobicContact CG1-CG2 3.55Å; V45-L92 HydrophobicContact CB-CB 4.33Å; V45-L92 HydrophobicContact CG1-CD1 4.46Å; V45-F95 HydrophobicContact CG2-CE2 4.38Å; V45-F95 HydrophobicContact CG2-CZ 4.11Å
46R96.1Very high93.8Very high56 Ų5647.7 Ų47.721%0.21122%0.224CC..  trans-124.7-22.9-175.8-69.5-61.2-164.4-165.46113.2W17 D18 E19 E20 R77 W81 N90W17-R46 PolarHBondContact O-N 3.2Å; D18-R46 WeakPolarHBondContact O-CG 3.27Å; E19-R46 WeakPolarHBondContact O-CB 3.42Å; E20-R46 HydrophobicContact CG-CB 4.09Å; R46-R77 VanDerWaalsContact O-CA 3.31Å; R46-R77 WeakPolarHBondContact O-CA 3.2Å; R46-W81 VanDerWaalsContact O-CH2 3.28Å; R46-W81 WeakPolarHBondContact O-CH2 3.14Å; R46-N90 PolarHBondContact NH1-ND2 3.38Å
47S97.6Very high93.9Very high0 Ų047.7 Ų47.70%022%0.224CC..EExtended strand (participates in β ladder)trans-146154.4167.8590000111.1W17 E19 F22 Y75 P76W17-S47 WeakPolarHBondContact CB-OG 3.33Å; W17-S47 PolarHBondContact N-O 3.28Å; W17-S47 PolarHBondContact O-N 2.93Å; E19-S47 WeakPolarHBondContact O-CB 3.4Å; E19-S47 PolarHBondContact O-N 2.85Å; E19-S47 PolarHBondContact O-OG 2.87Å; F22-S47 VanDerWaalsContact CA-OG 3.25Å; F22-S47 WeakPolarHBondContact CA-OG 3.49Å; F22-S47 PolarHBondContact N-OG 2.97Å; S47-Y75 CarbonylContact C-O 3.49Å; S47-Y75 VanDerWaalsContact CA-O 3.29Å; S47-Y75 WeakPolarHBondContact CA-O 3.4Å; S47-Y75 WeakPolarHBondContact CB-O 3.43Å; S47-P76 WeakPolarHBondContact CB-O 3.38Å
48V98Very high94.1Very high0 Ų045.6 Ų45.60%021%0.209CC..EExtended strand (participates in β ladder)trans-141137.7-171.2-178.80000110L14 T15 L16 F22 V45 L70 Y75 W81 L92L14-V48 HydrophobicContact CD1-CG1 3.21Å; L14-V48 HydrophobicContact CD2-CG1 4.44Å; L14-V48 HydrophobicContact CG-CG1 4.02Å; T15-V48 WeakPolarHBondContact O-CA 3.23Å; L16-V48 HydrophobicContact CD2-CB 4.3Å; L16-V48 HydrophobicContact CD2-CG1 3.84Å; L16-V48 HydrophobicContact CD2-CG2 3.73Å; F22-V48 WeakPolarHBondContact CE1-O 3.4Å; V45-V48 HydrophobicContact CG1-CG2 3.55Å; V48-L70 HydrophobicContact CG1-CD1 4.13Å; V48-Y75 HydrophobicContact CB-CD2 4.47Å; V48-Y75 PolarHBondContact N-O 3.1Å; V48-Y75 WeakPolarHBondContact O-CA 3.44Å; V48-Y75 WeakPolarHBondContact O-CB 3.48Å; V48-Y75 PolarHBondContact O-N 2.81Å; V48-W81 HydrophobicContact CG2-CE3 4.36Å; V48-W81 HydrophobicContact CG2-CH2 4.47Å; V48-W81 HydrophobicContact CG2-CZ3 4.08Å; V48-L92 HydrophobicContact CG2-CD1 4.37Å
49K98.5Very high94.2Very high54 Ų5438.8 Ų38.824%0.23518%0.177CC..EExtended strand (participates in β ladder)trans-123.8119.5167.7-66.1-166.9-178.8-129.90109.9L14 T15 W17 F22 D74L14-K49 CarbonylContact C-O 3.59Å; L14-K49 WeakPolarHBondContact CA-O 3.17Å; L14-K49 WeakPolarHBondContact CD1-O 3.38Å; T15-K49 PolarHBondContact N-O 2.99Å; T15-K49 PolarHBondContact O-N 2.75Å; W17-K49 HydrophobicContact CH2-CB 4.01Å; W17-K49 HydrophobicContact CH2-CD 3.82Å; W17-K49 HydrophobicContact CH2-CG 3.81Å; W17-K49 HydrophobicContact CZ3-CB 3.75Å; W17-K49 HydrophobicContact CZ3-CD 4.16Å; W17-K49 HydrophobicContact CZ3-CG 3.61Å; F22-K49 HydrophobicContact CD1-CD 4.07Å; F22-K49 VanDerWaalsContact CD1-CE 3.41Å; F22-K49 HydrophobicContact CD1-CG 3.57Å; F22-K49 HydrophobicContact CE1-CD 4.17Å; F22-K49 HydrophobicContact CE1-CG 3.43Å; F22-K49 VanDerWaalsContact CE1-CG 3.43Å; F22-K49 HydrophobicContact CG-CD 4.32Å; F22-K49 HydrophobicContact CG-CG 4.31Å; F22-K49 HydrophobicContact CZ-CG 4.07Å; K49-D74 WeakPolarHBondContact CD-OD1 3.48Å; K49-D74 WeakPolarHBondContact CG-OD1 3.46Å; K49-D74 IonicContact NZ-OD1 3.55Å; K49-D74 PolarHBondContact NZ-OD1 3.36Å; K49-D74 IonicContact NZ-OD2 3.52Å; K49-D74 PolarHBondContact NZ-OD2 3.42Å
50V98.2Very high94.7Very high3 Ų337.8 Ų37.82%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-91.4103.8171.6-177.70000106.9L14 G53 L70 E71 G73 Y75L14-V50 HydrophobicContact CD1-CB 4.06Å; L14-V50 HydrophobicContact CD1-CG2 3.38Å; V50-G53 VanDerWaalsContact CG1-O 3.23Å; V50-G53 WeakPolarHBondContact CG1-O 3.32Å; V50-L70 HydrophobicContact CG2-CB 3.74Å; V50-E71 WeakPolarHBondContact CB-O 3.36Å; V50-E71 WeakPolarHBondContact CG2-O 2.96Å; V50-G73 PolarHBondContact N-O 2.78Å; V50-G73 PolarHBondContact O-N 2.74Å; V50-G73 VanDerWaalsContact O-N 3.13Å; V50-Y75 HydrophobicContact CG2-CD2 4.45Å; V50-Y75 HydrophobicContact CG2-CE2 3.82Å
51E97.1Very high95.6Very high56 Ų5638.8 Ų38.826%0.26218%0.178SC..EExtended strand (participates in β ladder)trans-83.7-35.2-178.5-46.792.5174.800112.2S13 L14 T15 K72S13-E51 WeakPolarHBondContact CB-OE2 3.15Å; S13-E51 PolarHBondContact O-N 2.69Å; S13-E51 VanDerWaalsContact O-OE2 3.07Å; S13-E51 PolarHBondContact OG-OE2 3.09Å; L14-E51 PolarHBondContact N-OE2 3.01Å; T15-E51 WeakPolarHBondContact CB-OE1 3.39Å; T15-E51 PolarHBondContact N-OE1 2.54Å; T15-E51 PolarHBondContact OG1-OE1 3.41Å; E51-K72 VanDerWaalsContact O-CE 3.23Å; E51-K72 WeakPolarHBondContact O-CE 3.36Å
52N95.6Very high96Very high47 Ų4742.4 Ų42.425%0.25119%0.19SC..EExtended strand (participates in β ladder)trans-145143.9179.6-62.8-69.3000112.2P11 A12 S13 W55P11-N52 VanDerWaalsContact O-CB 3.27Å; P11-N52 WeakPolarHBondContact O-CB 3.38Å; A12-N52 CarbonylContact C-O 3.57Å; A12-N52 VanDerWaalsContact CA-O 3.31Å; A12-N52 WeakPolarHBondContact CA-O 3.27Å; S13-N52 PolarHBondContact N-O 3.47Å; S13-N52 PolarHBondContact O-N 3.15Å; S13-N52 PolarHBondContact OG-ND2 2.76Å; N52-W55 PolarHBondContact O-NE1 2.82Å
53G94.9Very high96.2Very high24 Ų2444.6 Ų44.625%0.24720%0.2CC..SBendtrans70.6-165.4178.900000113V50V50-G53 VanDerWaalsContact CG1-O 3.23Å; V50-G53 WeakPolarHBondContact CG1-O 3.32Å
54V97.1Very high96.6Very high2 Ų237.9 Ų37.91%0.01218%0.178CC..  trans-120.9143.5178.1-1730000109.2I69 E71 P97 V98 A101 V195 Q196 H197V54-I69 HydrophobicContact CG1-CD1 3.62Å; V54-I69 HydrophobicContact CG1-CG1 4.1Å; V54-E71 HydrophobicContact CG1-CG 4.2Å; V54-P97 CarbonylContact O-C 3.57Å; V54-P97 WeakPolarHBondContact O-CA 3.4Å; V54-V98 HydrophobicContact CB-CB 4.15Å; V54-V98 HydrophobicContact CG1-CB 4.26Å; V54-V98 HydrophobicContact CG1-CG2 4.39Å; V54-V98 PolarHBondContact O-N 2.84Å; V54-A101 HydrophobicContact CB-CB 4.42Å; V54-A101 HydrophobicContact CG2-CB 4.07Å; V54-V195 HydrophobicContact CB-CG1 4.12Å; V54-V195 HydrophobicContact CG1-CG1 3.57Å; V54-V195 HydrophobicContact CG2-CG1 3.87Å; V54-Q196 WeakPolarHBondContact CG2-O 3.31Å; V54-H197 HydrophobicContact CG2-CB 3.91Å
55W98.1Very high96.7Very high0 Ų030.9 Ų30.90%015%0.153CC..EExtended strand (participates in β ladder)trans-125153.1178.6-66.873.6000109.9A12 S13 L14 L29 S31 N52 L70 F95 R96A12-W55 HydrophobicContact CB-CZ2 3.99Å; S13-W55 PolarHBondContact O-NE1 2.75Å; L14-W55 HydrophobicContact CB-CD2 3.81Å; L14-W55 HydrophobicContact CB-CE3 4.27Å; L14-W55 HydrophobicContact CB-CG 4.2Å; L14-W55 HydrophobicContact CB-CH2 4.34Å; L14-W55 HydrophobicContact CB-CZ2 3.9Å; L14-W55 HydrophobicContact CD2-CB 4.24Å; L14-W55 HydrophobicContact CD2-CD2 3.85Å; L14-W55 HydrophobicContact CD2-CE3 3.85Å; L14-W55 HydrophobicContact CD2-CG 4.02Å; L14-W55 HydrophobicContact CD2-CZ3 4.49Å; L14-W55 HydrophobicContact CG-CD2 4.4Å; L29-W55 HydrophobicContact CB-CH2 3.77Å; L29-W55 HydrophobicContact CB-CZ3 3.99Å; L29-W55 HydrophobicContact CD1-CZ3 4.47Å; S31-W55 VanDerWaalsContact O-CH2 3.32Å; S31-W55 WeakPolarHBondContact O-CH2 3.37Å; S31-W55 VanDerWaalsContact O-CZ3 3.27Å; S31-W55 WeakPolarHBondContact O-CZ3 3.42Å; N52-W55 PolarHBondContact O-NE1 2.82Å; W55-L70 HydrophobicContact CB-CB 4.18Å; W55-L70 PolarHBondContact N-O 2.9Å; W55-L70 WeakPolarHBondContact O-CA 3.49Å; W55-L70 PolarHBondContact O-N 2.86Å; W55-F95 HydrophobicContact CE3-CB 4.16Å; W55-F95 HydrophobicContact CZ3-CB 4.38Å; W55-R96 CarbonylContact C-O 3.53Å; W55-R96 WeakPolarHBondContact CA-O 3.22Å; W55-R96 VanDerWaalsContact CE3-C 3.43Å
56V97.5Very high96.6Very high0 Ų030.9 Ų30.90%015%0.153CC..EExtended strand (participates in β ladder)trans-115.1133.9159.758.10000108.5F58 Q67 F68 F95 R96 V98 V164V56-F58 HydrophobicContact CB-CE2 4.41Å; V56-F58 HydrophobicContact CG1-CE2 3.65Å; V56-F58 HydrophobicContact CG1-CZ 3.82Å; V56-F58 HydrophobicContact CG2-CE1 4.47Å; V56-F58 HydrophobicContact CG2-CE2 4.03Å; V56-F58 HydrophobicContact CG2-CZ 3.95Å; V56-Q67 HydrophobicContact CG2-CB 4.1Å; V56-F68 WeakPolarHBondContact CA-O 3.38Å; V56-F95 WeakPolarHBondContact O-CA 3.44Å; V56-R96 HydrophobicContact CG1-CG 3.41Å; V56-R96 VanDerWaalsContact CG1-CG 3.41Å; V56-R96 VanDerWaalsContact CG1-NE 3.27Å; V56-R96 PolarHBondContact N-O 2.9Å; V56-R96 PolarHBondContact O-N 3.16Å; V56-V98 HydrophobicContact CB-CG2 4.24Å; V56-V98 HydrophobicContact CG1-CG2 4.08Å; V56-V164 HydrophobicContact CB-CG2 4.19Å; V56-V164 HydrophobicContact CG2-CB 4.32Å; V56-V164 HydrophobicContact CG2-CG2 3.71Å
57A97.3Very high96.6Very high0 Ų028.5 Ų28.50%015%0.145CC..EExtended strand (participates in β ladder)trans-105151.2172.300000110Q67 F68 L70 L92 S94 F95A57-Q67 CarbonylContact O-C 3.58Å; A57-Q67 WeakPolarHBondContact O-CA 3.34Å; A57-F68 HydrophobicContact CB-CB 4.5Å; A57-F68 PolarHBondContact N-O 3.26Å; A57-F68 PolarHBondContact O-N 2.7Å; A57-L70 HydrophobicContact CB-CD1 3.68Å; A57-L70 HydrophobicContact CB-CG 4.33Å; A57-L92 HydrophobicContact CB-CB 4.41Å; A57-L92 HydrophobicContact CB-CD1 4Å; A57-L92 HydrophobicContact CB-CD2 3.76Å; A57-L92 HydrophobicContact CB-CG 4.29Å; A57-S94 CarbonylContact C-O 3.52Å; A57-S94 WeakPolarHBondContact CA-O 3.24Å; A57-F95 HydrophobicContact CB-CD1 3.51Å; A57-F95 HydrophobicContact CB-CE1 3.41Å; A57-F95 VanDerWaalsContact CB-CE1 3.41Å; A57-F95 HydrophobicContact CB-CG 4.48Å; A57-F95 HydrophobicContact CB-CZ 4.3Å
58F96.6Very high96.5Very high4 Ų428.5 Ų28.52%0.01815%0.145CC..EExtended strand (participates in β ladder)trans-126.6147.4-179.6-59.3-98.9000110.4V56 Y60 F63 Q64 Q66 Q67 L92 L93 S94 R96V56-F58 HydrophobicContact CB-CE2 4.41Å; V56-F58 HydrophobicContact CG1-CE2 3.65Å; V56-F58 HydrophobicContact CG1-CZ 3.82Å; V56-F58 HydrophobicContact CG2-CE1 4.47Å; V56-F58 HydrophobicContact CG2-CE2 4.03Å; V56-F58 HydrophobicContact CG2-CZ 3.95Å; F58-Y60 VanDerWaalsContact C-N 3.32Å; F58-Y60 PolarHBondContact O-N 2.93Å; F58-F63 HydrophobicContact CD1-CB 4.2Å; F58-F63 VanDerWaalsContact CD1-O 3.27Å; F58-F63 WeakPolarHBondContact CD1-O 3.32Å; F58-F63 HydrophobicContact CD2-CB 3.96Å; F58-F63 AromaticContact CD2-CD1 3.9Å; F58-F63 HydrophobicContact CD2-CD1 3.9Å; F58-F63 HydrophobicContact CD2-CG 4.44Å; F58-F63 HydrophobicContact CE1-CB 4.03Å; F58-F63 WeakPolarHBondContact CE1-O 3.46Å; F58-F63 HydrophobicContact CE2-CB 3.79Å; F58-F63 AromaticContact CE2-CD1 3.81Å; F58-F63 HydrophobicContact CE2-CD1 3.81Å; F58-F63 HydrophobicContact CE2-CG 4.23Å; F58-F63 HydrophobicContact CG-CB 4.18Å; F58-F63 HydrophobicContact CZ-CB 3.85Å; F58-Q64 WeakPolarHBondContact CB-O 3.43Å; F58-Q66 WeakPolarHBondContact CA-O 3.42Å; F58-Q67 HydrophobicContact CD1-CG 3.79Å; F58-Q67 HydrophobicContact CE1-CG 3.6Å; F58-L92 CarbonylContact O-C 3.56Å; F58-L92 WeakPolarHBondContact O-CA 3.31Å; F58-L93 PolarHBondContact O-N 3.29Å; F58-S94 WeakPolarHBondContact CB-OG 3.46Å; F58-S94 PolarHBondContact N-O 2.86Å; F58-S94 PolarHBondContact O-N 3.34Å; F58-R96 HydrophobicContact CE2-CG 4.07Å
59E94.7Very high96.4Very high16 Ų1629 Ų298%0.07515%0.147CC..EExtended strand (participates in β ladder)trans-59.3-41.5178.4-179.4171.3-158.200113.1Q66 H87 S89 Q91 L93E59-Q66 HydrophobicContact CB-CB 4.29Å; E59-Q66 PolarHBondContact N-O 2.83Å; E59-Q66 PolarHBondContact OE2-N 3.36Å; E59-H87 IonicContact OE1-NE2 3.36Å; E59-H87 IonicContact OE2-NE2 2.72Å; E59-S89 WeakPolarHBondContact CG-OG 3.4Å; E59-S89 WeakPolarHBondContact OE1-CB 3.49Å; E59-S89 PolarHBondContact OE1-OG 3.48Å; E59-Q91 WeakPolarHBondContact CA-O 3.4Å; E59-L93 WeakPolarHBondContact O-CD1 3.08Å; E59-L93 WeakPolarHBondContact O-CG 3.19Å
60Y95.7Very high96.3Very high110 Ų11026.4 Ų26.443%0.43114%0.136SC..EExtended strand (participates in β ladder)trans-114.5166.6-175.7-59.9-48.5000112.4F58 Q64 S94F58-Y60 VanDerWaalsContact C-N 3.32Å; F58-Y60 PolarHBondContact O-N 2.93Å; Y60-Q64 WeakPolarHBondContact CB-O 3.45Å; Y60-Q64 PolarHBondContact N-O 2.74Å; Y60-S94 WeakPolarHBondContact O-CB 3.47Å; Y60-S94 PolarHBondContact O-OG 3.25Å
61P96.6Very high96.3Very high38 Ų3827.7 Ų27.725%0.24714%0.142CC..THydrogen-bonded Turntrans-56.7166.9168.7-24.336.6000112.4A34 N35 F63 Q64 L93A34-P61 CarbonylContact O-C 3.49Å; A34-P61 VanDerWaalsContact O-CA 3.22Å; A34-P61 WeakPolarHBondContact O-CA 3.29Å; A34-P61 WeakPolarHBondContact O-CB 3.47Å; N35-P61 HydrophobicContact CB-CB 4.35Å; P61-F63 PolarHBondContact O-N 2.85Å; P61-F63 VanDerWaalsContact O-N 3.13Å; P61-Q64 WeakPolarHBondContact O-CB 3.39Å; P61-Q64 WeakPolarHBondContact O-CG 3.46Å; P61-Q64 PolarHBondContact O-N 3.01Å; P61-L93 HydrophobicContact CG-CB 4.27Å; P61-L93 HydrophobicContact CG-CD1 4.31Å
62D97.3Very high96.2Very high106 Ų10631.3 Ų31.357%0.56716%0.157SC*.THydrogen-bonded Turntrans56.831.7174.1-54.2-51000114.1A34 Q64A34-D62 PolarHBondContact O-N 2.79Å; D62-Q64 VanDerWaalsContact C-N 3.33Å; D62-Q64 HydrophobicContact CB-CG 4.34Å; D62-Q64 WeakPolarHBondContact O-CG 3.28Å; D62-Q64 PolarHBondContact O-N 3.49Å; D62-Q64 PolarHBondContact O-NE2 2.99Å
63F96.9Very high96.3Very high47 Ų4730.3 Ų30.321%0.20616%0.157CC..THydrogen-bonded Turntrans6139.5176.5-39.7-64.9000113D32 A34 F58 P61 S94 F95 R96D32-F63 HydrophobicContact CB-CZ 4.17Å; A34-F63 HydrophobicContact CB-CE2 4.27Å; A34-F63 HydrophobicContact CB-CZ 4.01Å; F58-F63 HydrophobicContact CD1-CB 4.2Å; F58-F63 VanDerWaalsContact CD1-O 3.27Å; F58-F63 WeakPolarHBondContact CD1-O 3.32Å; F58-F63 HydrophobicContact CD2-CB 3.96Å; F58-F63 AromaticContact CD2-CD1 3.9Å; F58-F63 HydrophobicContact CD2-CD1 3.9Å; F58-F63 HydrophobicContact CD2-CG 4.44Å; F58-F63 HydrophobicContact CE1-CB 4.03Å; F58-F63 WeakPolarHBondContact CE1-O 3.46Å; F58-F63 HydrophobicContact CE2-CB 3.79Å; F58-F63 AromaticContact CE2-CD1 3.81Å; F58-F63 HydrophobicContact CE2-CD1 3.81Å; F58-F63 HydrophobicContact CE2-CG 4.23Å; F58-F63 HydrophobicContact CG-CB 4.18Å; F58-F63 HydrophobicContact CZ-CB 3.85Å; P61-F63 PolarHBondContact O-N 2.85Å; P61-F63 VanDerWaalsContact O-N 3.13Å; F63-S94 VanDerWaalsContact CA-OG 3.28Å; F63-S94 WeakPolarHBondContact CA-OG 3.48Å; F63-S94 PolarHBondContact N-OG 3.24Å; F63-F95 WeakPolarHBondContact CE1-O 3.27Å; F63-R96 HydrophobicContact CE1-CB 4.19Å
64Q96.1Very high96.4Very high78 Ų7833.8 Ų33.836%0.36417%0.17SC..EExtended strand (participates in β ladder)trans-108157.8-176-58.8-58.4-51.400113.1F58 Y60 P61 D62 T182F58-Q64 WeakPolarHBondContact CB-O 3.43Å; Y60-Q64 WeakPolarHBondContact CB-O 3.45Å; Y60-Q64 PolarHBondContact N-O 2.74Å; P61-Q64 WeakPolarHBondContact O-CB 3.39Å; P61-Q64 WeakPolarHBondContact O-CG 3.46Å; P61-Q64 PolarHBondContact O-N 3.01Å; D62-Q64 VanDerWaalsContact C-N 3.33Å; D62-Q64 HydrophobicContact CB-CG 4.34Å; D62-Q64 WeakPolarHBondContact O-CG 3.28Å; D62-Q64 PolarHBondContact O-N 3.49Å; D62-Q64 PolarHBondContact O-NE2 2.99Å; Q64-T182 PolarHBondContact OE1-OG1 3.3Å
65G94.5Very high96.5Very high7 Ų735.1 Ų35.17%0.07218%0.175CC..EExtended strand (participates in β ladder)trans79.9-158.6175.200000113.1Q67 T182 Q183G65-Q67 PolarHBondContact O-N 2.99Å; G65-T182 PolarHBondContact N-OG1 2.72Å; G65-T182 VanDerWaalsContact N-OG1 3.08Å; G65-Q183 VanDerWaalsContact O-CD 3.29Å; G65-Q183 PolarHBondContact O-OE1 2.67Å
66Q94.3Very high96.4Very high1 Ų136.9 Ų36.91%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-62.5136.3-174.8-17849.831.200112.6F58 E59 F68 Y161 Q162 Q183F58-Q66 WeakPolarHBondContact CA-O 3.42Å; E59-Q66 HydrophobicContact CB-CB 4.29Å; E59-Q66 PolarHBondContact N-O 2.83Å; E59-Q66 PolarHBondContact OE2-N 3.36Å; Q66-F68 HydrophobicContact CB-CE2 4Å; Q66-F68 HydrophobicContact CB-CZ 4.08Å; Q66-F68 HydrophobicContact CG-CD2 4.47Å; Q66-F68 HydrophobicContact CG-CE1 4.01Å; Q66-F68 HydrophobicContact CG-CE2 3.74Å; Q66-F68 HydrophobicContact CG-CZ 3.48Å; Q66-F68 VanDerWaalsContact CG-CZ 3.48Å; Q66-Y161 HydrophobicContact CG-CD1 4.24Å; Q66-Q162 PolarHBondContact NE2-O 3.43Å; Q66-Q162 VanDerWaalsContact NE2-O 3.08Å; Q66-Q183 VanDerWaalsContact OE1-CG 3.32Å
67Q95.4Very high96.2Very high6 Ų643.2 Ų43.23%0.02821%0.21CC..EExtended strand (participates in β ladder)trans-96144.2178.9-58.4174.147.500111.3V56 A57 F58 G65 V164 F180 G181V56-Q67 HydrophobicContact CG2-CB 4.1Å; A57-Q67 CarbonylContact O-C 3.58Å; A57-Q67 WeakPolarHBondContact O-CA 3.34Å; F58-Q67 HydrophobicContact CD1-CG 3.79Å; F58-Q67 HydrophobicContact CE1-CG 3.6Å; G65-Q67 PolarHBondContact O-N 2.99Å; Q67-V164 HydrophobicContact CB-CG2 4.49Å; Q67-F180 PolarHBondContact NE2-O 3.38Å; Q67-G181 VanDerWaalsContact NE2-CA 3.32Å
68F95.7Very high95.9Very high0 Ų047.2 Ų47.20%023%0.225CC..EExtended strand (participates in β ladder)trans-134.9117.5175.6-56.7-87.8000109.1V56 A57 Q66 L92V56-F68 WeakPolarHBondContact CA-O 3.38Å; A57-F68 HydrophobicContact CB-CB 4.5Å; A57-F68 PolarHBondContact N-O 3.26Å; A57-F68 PolarHBondContact O-N 2.7Å; Q66-F68 HydrophobicContact CB-CE2 4Å; Q66-F68 HydrophobicContact CB-CZ 4.08Å; Q66-F68 HydrophobicContact CG-CD2 4.47Å; Q66-F68 HydrophobicContact CG-CE1 4.01Å; Q66-F68 HydrophobicContact CG-CE2 3.74Å; Q66-F68 HydrophobicContact CG-CZ 3.48Å; Q66-F68 VanDerWaalsContact CG-CZ 3.48Å; F68-L92 HydrophobicContact CD2-CD2 3.4Å; F68-L92 VanDerWaalsContact CD2-CD2 3.4Å; F68-L92 HydrophobicContact CE2-CD2 3.77Å; F68-L92 HydrophobicContact CG-CD2 4.13Å
69I96.4Very high95.6Very high10 Ų1049 Ų495%0.05124%0.238CC..EExtended strand (participates in β ladder)trans-73.1131.3172.8-164.268.6000109.3V54 E71 V98 V151 V164 V195V54-I69 HydrophobicContact CG1-CD1 3.62Å; V54-I69 HydrophobicContact CG1-CG1 4.1Å; I69-E71 HydrophobicContact CG1-CG 4.23Å; I69-V98 HydrophobicContact CD1-CG2 4.25Å; I69-V151 HydrophobicContact CB-CG2 4.48Å; I69-V151 HydrophobicContact CG2-CG1 4.27Å; I69-V151 HydrophobicContact CG2-CG2 4.28Å; I69-V164 HydrophobicContact CB-CG2 4.31Å; I69-V164 HydrophobicContact CD1-CG1 4.22Å; I69-V164 HydrophobicContact CD1-CG2 4.03Å; I69-V195 HydrophobicContact CD1-CG1 4.16Å; I69-V195 HydrophobicContact CD1-CG2 4Å; I69-V195 HydrophobicContact CG1-CG1 4.39Å; I69-V195 HydrophobicContact CG1-CG2 4.23Å
70L97.2Very high95.4Very high0 Ų050.2 Ų50.20%025%0.251CS..EExtended strand (participates in β ladder)trans-123.693.4179.9-60.1178.4000108.3V48 V50 W55 A57 Y75 W81 F95V48-L70 HydrophobicContact CG1-CD1 4.13Å; V50-L70 HydrophobicContact CG2-CB 3.74Å; W55-L70 HydrophobicContact CB-CB 4.18Å; W55-L70 PolarHBondContact N-O 2.9Å; W55-L70 WeakPolarHBondContact O-CA 3.49Å; W55-L70 PolarHBondContact O-N 2.86Å; A57-L70 HydrophobicContact CB-CD1 3.68Å; A57-L70 HydrophobicContact CB-CG 4.33Å; L70-Y75 HydrophobicContact CD2-CD1 4.3Å; L70-Y75 HydrophobicContact CD2-CE1 4.07Å; L70-Y75 HydrophobicContact CD2-CE2 4.42Å; L70-W81 HydrophobicContact CD2-CB 3.57Å; L70-W81 HydrophobicContact CD2-CG 4.43Å; L70-F95 HydrophobicContact CD1-CD1 4.44Å; L70-F95 HydrophobicContact CD1-CE1 4.29Å
71E96.6Very high95.2Very high29 Ų2945.3 Ų45.314%0.13623%0.232CC..  trans-80.9165174.4-62.5168.4140.400109.9V50 V54 I69 G73 Y75 R193 Q196V50-E71 WeakPolarHBondContact CB-O 3.36Å; V50-E71 WeakPolarHBondContact CG2-O 2.96Å; V54-E71 HydrophobicContact CG1-CG 4.2Å; I69-E71 HydrophobicContact CG1-CG 4.23Å; E71-G73 PolarHBondContact O-N 2.99Å; E71-Y75 PolarHBondContact N-OH 3.28Å; E71-Y75 WeakPolarHBondContact O-CE2 3.41Å; E71-Y75 PolarHBondContact O-OH 2.87Å; E71-R193 IonicContact OE1-CZ 3.63Å; E71-R193 IonicContact OE1-NH1 3.81Å; E71-R193 PolarHBondContact OE1-NH1 3.37Å; E71-R193 IonicContact OE1-NH2 3.87Å; E71-R193 PolarHBondContact OE1-NH2 3.41Å; E71-R193 IonicContact OE2-CZ 3.74Å; E71-R193 IonicContact OE2-NH1 2.99Å; E71-R193 PolarHBondContact OE2-NH1 3.04Å; E71-R193 IonicContact OE2-NH2 3.01Å; E71-R193 PolarHBondContact OE2-NH2 3.48Å; E71-Q196 WeakPolarHBondContact CG-O 3.43Å; E71-Q196 WeakPolarHBondContact OE1-CB 3.42Å; E71-Q196 PolarHBondContact OE1-N 2.94Å
72K96.5Very high94.6Very high133 Ų13343.7 Ų43.758%0.57822%0.221SC*.SBendtrans-50.9124.5-179-175.4173.6-179.6165.80111.7E51E51-K72 VanDerWaalsContact O-CE 3.23Å; E51-K72 WeakPolarHBondContact O-CE 3.36Å
73G97Very high93.4Very high25 Ų2541.1 Ų41.126%0.25822%0.22SC..EExtended strand (participates in β ladder)trans154.8-178.2-177.200000114.7V50 E71V50-G73 PolarHBondContact N-O 2.78Å; V50-G73 PolarHBondContact O-N 2.74Å; V50-G73 VanDerWaalsContact O-N 3.13Å; E71-G73 PolarHBondContact O-N 2.99Å
74D98.1Very high91.9Very high98 Ų9843 Ų4352%0.52424%0.239SC..EExtended strand (participates in β ladder)trans-107.6122.9-175.8-81.97.2000110.1F22 K49 P76F22-D74 HydrophobicContact CE2-CB 4.48Å; F22-D74 HydrophobicContact CZ-CB 3.82Å; K49-D74 WeakPolarHBondContact CD-OD1 3.48Å; K49-D74 WeakPolarHBondContact CG-OD1 3.46Å; K49-D74 IonicContact NZ-OD1 3.55Å; K49-D74 PolarHBondContact NZ-OD1 3.36Å; K49-D74 IonicContact NZ-OD2 3.52Å; K49-D74 PolarHBondContact NZ-OD2 3.42Å; D74-P76 WeakPolarHBondContact O-CD 3.42Å
75Y97.1Very high90.3Very high30 Ų3039.9 Ų39.912%0.11823%0.226CC..EExtended strand (participates in β ladder)trans-118.988.1179.7-54.3-101.1000109.5S47 V48 V50 L70 E71 R77 A80 W81S47-Y75 CarbonylContact C-O 3.49Å; S47-Y75 VanDerWaalsContact CA-O 3.29Å; S47-Y75 WeakPolarHBondContact CA-O 3.4Å; S47-Y75 WeakPolarHBondContact CB-O 3.43Å; V48-Y75 HydrophobicContact CB-CD2 4.47Å; V48-Y75 PolarHBondContact N-O 3.1Å; V48-Y75 WeakPolarHBondContact O-CA 3.44Å; V48-Y75 WeakPolarHBondContact O-CB 3.48Å; V48-Y75 PolarHBondContact O-N 2.81Å; V50-Y75 HydrophobicContact CG2-CD2 4.45Å; V50-Y75 HydrophobicContact CG2-CE2 3.82Å; L70-Y75 HydrophobicContact CD2-CD1 4.3Å; L70-Y75 HydrophobicContact CD2-CE1 4.07Å; L70-Y75 HydrophobicContact CD2-CE2 4.42Å; E71-Y75 PolarHBondContact N-OH 3.28Å; E71-Y75 WeakPolarHBondContact O-CE2 3.41Å; E71-Y75 PolarHBondContact O-OH 2.87Å; Y75-R77 VanDerWaalsContact C-N 3.26Å; Y75-R77 PolarHBondContact O-N 2.98Å; Y75-A80 HydrophobicContact CD1-CB 4.05Å; Y75-A80 HydrophobicContact CG-CB 4.5Å; Y75-W81 HydrophobicContact CD1-CB 3.99Å; Y75-W81 HydrophobicContact CE1-CB 4.43Å
76P96.9Very high88.6Confident36 Ų3643 Ų4323%0.23425%0.247CC..  trans-71.9-16.4-169.325.6-33.9000114.5E20 D21 F22 S47 D74E20-P76 CarbonylContact C-O 3.51Å; E20-P76 WeakPolarHBondContact CA-O 3.37Å; E20-P76 WeakPolarHBondContact CB-O 3.34Å; D21-P76 PolarHBondContact N-O 3.29Å; D21-P76 WeakPolarHBondContact OD1-CB 3.39Å; F22-P76 HydrophobicContact CE2-CB 4.18Å; F22-P76 HydrophobicContact CZ-CB 3.94Å; S47-P76 WeakPolarHBondContact CB-O 3.38Å; D74-P76 WeakPolarHBondContact O-CD 3.42Å
77R94.4Very high87.3Confident134 Ų13445.2 Ų45.251%0.50626%0.257SS..SBendtrans-160.3167.6-176.955.1179.5154.7139.8-3.1110.8E20 R46 Y75 S79 A80 W81E20-R77 HydrophobicContact CG-CB 4.08Å; R46-R77 VanDerWaalsContact O-CA 3.31Å; R46-R77 WeakPolarHBondContact O-CA 3.2Å; Y75-R77 VanDerWaalsContact C-N 3.26Å; Y75-R77 PolarHBondContact O-N 2.98Å; R77-S79 VanDerWaalsContact C-N 3.26Å; R77-S79 WeakPolarHBondContact CD-OG 3.39Å; R77-S79 WeakPolarHBondContact CG-OG 3.5Å; R77-S79 PolarHBondContact O-N 3.47Å; R77-S79 VanDerWaalsContact O-N 3.15Å; R77-A80 VanDerWaalsContact O-CB 3.24Å; R77-A80 WeakPolarHBondContact O-CB 3.26Å; R77-A80 PolarHBondContact O-N 2.83Å; R77-W81 VanDerWaalsContact O-CE3 3.32Å; R77-W81 VanDerWaalsContact O-CZ3 3.27Å; R77-W81 WeakPolarHBondContact O-CZ3 3.01Å
78W90.3Very high85.8Confident83 Ų8351.2 Ų51.231%0.31429%0.289SS..THydrogen-bonded Turntrans-58.4-34.6-172.775.6-83.7000115.2A80 W81 S82 N90W78-A80 PolarHBondContact O-N 3.01Å; W78-A80 VanDerWaalsContact O-N 3.12Å; W78-W81 VanDerWaalsContact CA-CE2 3.41Å; W78-W81 VanDerWaalsContact CA-CH2 3.44Å; W78-W81 HydrophobicContact CB-CH2 4Å; W78-W81 HydrophobicContact CB-CZ2 3.53Å; W78-W81 PolarHBondContact O-N 2.9Å; W78-S82 VanDerWaalsContact CZ3-OG 3.27Å; W78-S82 WeakPolarHBondContact CZ3-OG 3.18Å; W78-S82 PolarHBondContact O-N 3.18Å; W78-S82 VanDerWaalsContact O-N 3.09Å; W78-S82 PolarHBondContact O-OG 3.21Å; W78-N90 HydrophobicContact CB-CB 4.34Å; W78-N90 HydrophobicContact CG-CB 4.29Å
79S89.3Confident84.7Confident41 Ų4151.6 Ų51.629%0.28729%0.292SS..Hα-helixtrans-61.2-21.3177.361.90000113.5R77 S82 G83R77-S79 VanDerWaalsContact C-N 3.26Å; R77-S79 WeakPolarHBondContact CD-OG 3.39Å; R77-S79 WeakPolarHBondContact CG-OG 3.5Å; R77-S79 PolarHBondContact O-N 3.47Å; R77-S79 VanDerWaalsContact O-N 3.15Å; S79-S82 WeakPolarHBondContact CA-OG 3.35Å; S79-G83 PolarHBondContact O-N 2.75Å
80A91.8Very high83.9Confident43 Ų4354.2 Ų54.236%0.35531%0.306SS..Hα-helixtrans-74.7-30.8-179.300000113Y75 R77 W78Y75-A80 HydrophobicContact CD1-CB 4.05Å; Y75-A80 HydrophobicContact CG-CB 4.5Å; R77-A80 VanDerWaalsContact O-CB 3.24Å; R77-A80 WeakPolarHBondContact O-CB 3.26Å; R77-A80 PolarHBondContact O-N 2.83Å; W78-A80 PolarHBondContact O-N 3.01Å; W78-A80 VanDerWaalsContact O-N 3.12Å
81W90.7Very high83.5Confident7 Ų758.3 Ų58.33%0.02733%0.325CS..Hα-helixtrans-101.2-26.8177.359.780.4000113.5R46 V48 L70 Y75 R77 W78 L92R46-W81 VanDerWaalsContact O-CH2 3.28Å; R46-W81 WeakPolarHBondContact O-CH2 3.14Å; V48-W81 HydrophobicContact CG2-CE3 4.36Å; V48-W81 HydrophobicContact CG2-CH2 4.47Å; V48-W81 HydrophobicContact CG2-CZ3 4.08Å; L70-W81 HydrophobicContact CD2-CB 3.57Å; L70-W81 HydrophobicContact CD2-CG 4.43Å; Y75-W81 HydrophobicContact CD1-CB 3.99Å; Y75-W81 HydrophobicContact CE1-CB 4.43Å; R77-W81 VanDerWaalsContact O-CE3 3.32Å; R77-W81 VanDerWaalsContact O-CZ3 3.27Å; R77-W81 WeakPolarHBondContact O-CZ3 3.01Å; W78-W81 VanDerWaalsContact CA-CE2 3.41Å; W78-W81 VanDerWaalsContact CA-CH2 3.44Å; W78-W81 HydrophobicContact CB-CH2 4Å; W78-W81 HydrophobicContact CB-CZ2 3.53Å; W78-W81 PolarHBondContact O-N 2.9Å; W81-L92 HydrophobicContact CD2-CD1 4.05Å; W81-L92 HydrophobicContact CG-CD1 4.31Å; W81-L92 HydrophobicContact CZ2-CD1 3.87Å; W81-L92 HydrophobicContact CZ2-CG 4.32Å
82S83.7Confident83.4Confident3 Ų357 Ų572%0.02132%0.319CS..Hα-helixtrans-75.1-28.1174.965.70000112W78 S79 S84 S85W78-S82 VanDerWaalsContact CZ3-OG 3.27Å; W78-S82 WeakPolarHBondContact CZ3-OG 3.18Å; W78-S82 PolarHBondContact O-N 3.18Å; W78-S82 VanDerWaalsContact O-N 3.09Å; W78-S82 PolarHBondContact O-OG 3.21Å; S79-S82 WeakPolarHBondContact CA-OG 3.35Å; S82-S84 PolarHBondContact O-N 2.78Å; S82-S85 WeakPolarHBondContact CB-OG 3.28Å; S82-S85 WeakPolarHBondContact O-CB 3.34Å; S82-S85 PolarHBondContact O-N 2.59Å; S82-S85 PolarHBondContact O-OG 3.31Å
83G73.6Confident83.4Confident53 Ų5351.7 Ų51.755%0.54630%0.297SS..THydrogen-bonded Turntrans58.4-125178.500000111.7S79S79-G83 PolarHBondContact O-N 2.75Å
84S65.3Low83.5Confident85 Ų8550.5 Ų50.559%0.59429%0.285SS*.THydrogen-bonded Turntrans-98.225.8174.4-65.10000112.7S82 S86S82-S84 PolarHBondContact O-N 2.78Å; S84-S86 PolarHBondContact O-N 2.92Å
85S62.5Low83.5Confident14 Ų1445.9 Ų45.910%0.09826%0.26CS..  trans-63.1126.117665.60000109.7S82 H87S82-S85 WeakPolarHBondContact CB-OG 3.28Å; S82-S85 WeakPolarHBondContact O-CB 3.34Å; S82-S85 PolarHBondContact O-N 2.59Å; S82-S85 PolarHBondContact O-OG 3.31Å; S85-H87 PolarHBondContact O-N 3.4Å; S85-H87 VanDerWaalsContact O-N 3.12Å; S85-H87 PolarHBondContact OG-O 2.8Å
86S57.2Low83.5Confident72 Ų7245.5 Ų45.550%0.50326%0.258SS..SBendtrans-64.4-9.9169.8520000112.9S84S84-S86 PolarHBondContact O-N 2.92Å
87H68.3Low83.5Confident47 Ų4744.9 Ų44.922%0.21825%0.254CS..  trans-89.8107.2177.8-156.576.9000110.3E59 S85 S89 Y161E59-H87 IonicContact OE1-NE2 3.36Å; E59-H87 IonicContact OE2-NE2 2.72Å; S85-H87 PolarHBondContact O-N 3.4Å; S85-H87 VanDerWaalsContact O-N 3.12Å; S85-H87 PolarHBondContact OG-O 2.8Å; H87-S89 PolarHBondContact O-N 3.31Å; H87-Y161 HydrophobicContact CB-CD1 4.02Å; H87-Y161 HydrophobicContact CB-CE1 3.54Å; H87-Y161 AromaticContact CE1-CE1 3.87Å; H87-Y161 PolarHBondContact CE1-OH 3.21Å; H87-Y161 AromaticContact CG-CE1 3.36Å; H87-Y161 AromaticContact ND1-CE1 3.21Å; H87-Y161 WeakPolarHBondContact ND1-CE1 3.42Å; H87-Y161 AromaticContact ND1-CZ 3.44Å; H87-Y161 PolarHBondContact ND1-OH 2.86Å
88N64.4Low83.6Confident133 Ų13338.8 Ų38.871%0.71123%0.232SC*.  trans-8251.5-179.2-71.4-53.6000112
89S71Confident83.8Confident7 Ų741.2 Ų41.25%0.04925%0.251CS..  trans-90.7122.6171.1-165.30000110.4E59 H87E59-S89 WeakPolarHBondContact CG-OG 3.4Å; E59-S89 WeakPolarHBondContact OE1-CB 3.49Å; E59-S89 PolarHBondContact OE1-OG 3.48Å; H87-S89 PolarHBondContact O-N 3.31Å
90N79.2Confident84.1Confident66 Ų6640.5 Ų40.535%0.35325%0.245SC..  trans-102.314.7174.768-0.1000112.1R46 W78R46-N90 PolarHBondContact NH1-ND2 3.38Å; W78-N90 HydrophobicContact CB-CB 4.34Å; W78-N90 HydrophobicContact CG-CB 4.29Å
91Q89.6Confident84.1Confident86 Ų8639.1 Ų39.140%0.40223%0.233SC..  trans-104.4132-178.8-60-168.18.200109.9E59E59-Q91 WeakPolarHBondContact CA-O 3.4Å
92L95.4Very high84.2Confident1 Ų141.6 Ų41.61%0.00525%0.247CC..  trans-129.9115167-59.1179.4000106.8V45 V48 A57 F58 F68 W81 F95V45-L92 HydrophobicContact CB-CB 4.33Å; V45-L92 HydrophobicContact CG1-CD1 4.46Å; V48-L92 HydrophobicContact CG2-CD1 4.37Å; A57-L92 HydrophobicContact CB-CB 4.41Å; A57-L92 HydrophobicContact CB-CD1 4Å; A57-L92 HydrophobicContact CB-CD2 3.76Å; A57-L92 HydrophobicContact CB-CG 4.29Å; F58-L92 CarbonylContact O-C 3.56Å; F58-L92 WeakPolarHBondContact O-CA 3.31Å; F68-L92 HydrophobicContact CD2-CD2 3.4Å; F68-L92 VanDerWaalsContact CD2-CD2 3.4Å; F68-L92 HydrophobicContact CE2-CD2 3.77Å; F68-L92 HydrophobicContact CG-CD2 4.13Å; W81-L92 HydrophobicContact CD2-CD1 4.05Å; W81-L92 HydrophobicContact CG-CD1 4.31Å; W81-L92 HydrophobicContact CZ2-CD1 3.87Å; W81-L92 HydrophobicContact CZ2-CG 4.32Å; L92-F95 HydrophobicContact CB-CE1 4.09Å; L92-F95 HydrophobicContact CB-CE2 4.32Å; L92-F95 HydrophobicContact CB-CZ 3.51Å; L92-F95 HydrophobicContact CD1-CE1 4.14Å; L92-F95 HydrophobicContact CD1-CZ 4.25Å
93L96.3Very high84.6Confident22 Ų2244 Ų4412%0.11526%0.258CS..  trans-120.2-20.9-170.6-67.6-179.8000113.8N35 V36 F58 E59 P61N35-L93 WeakPolarHBondContact CA-O 3.45Å; V36-L93 HydrophobicContact CG1-CD2 4.33Å; V36-L93 PolarHBondContact N-O 2.71Å; F58-L93 PolarHBondContact O-N 3.29Å; E59-L93 WeakPolarHBondContact O-CD1 3.08Å; E59-L93 WeakPolarHBondContact O-CG 3.19Å; P61-L93 HydrophobicContact CG-CB 4.27Å; P61-L93 HydrophobicContact CG-CD1 4.31Å
94S97.9Very high85.5Confident0 Ų046.4 Ų46.40%027%0.267CS..EExtended strand (participates in β ladder)trans-138.4153.5172.965.90000112.4C33 A34 A57 F58 Y60 F63C33-S94 CarbonylContact O-C 3.59Å; C33-S94 WeakPolarHBondContact O-CA 3.36Å; C33-S94 VanDerWaalsContact O-CB 3.26Å; C33-S94 WeakPolarHBondContact O-CB 3Å; A34-S94 WeakPolarHBondContact O-CB 3.29Å; A57-S94 CarbonylContact C-O 3.52Å; A57-S94 WeakPolarHBondContact CA-O 3.24Å; F58-S94 WeakPolarHBondContact CB-OG 3.46Å; F58-S94 PolarHBondContact N-O 2.86Å; F58-S94 PolarHBondContact O-N 3.34Å; Y60-S94 WeakPolarHBondContact O-CB 3.47Å; Y60-S94 PolarHBondContact O-OG 3.25Å; F63-S94 VanDerWaalsContact CA-OG 3.28Å; F63-S94 WeakPolarHBondContact CA-OG 3.48Å; F63-S94 PolarHBondContact N-OG 3.24Å
95F98.1Very high86.9Confident0 Ų045.5 Ų45.50%026%0.255CS..EExtended strand (participates in β ladder)trans-145.8143.1-169.2-60.1-96.4000110.4L14 L16 L29 D32 C33 V36 V45 W55 V56 A57 F63 L70 L92L14-F95 HydrophobicContact CD2-CB 4.44Å; L14-F95 HydrophobicContact CD2-CD1 3.58Å; L14-F95 HydrophobicContact CD2-CE1 4.14Å; L14-F95 HydrophobicContact CD2-CG 4.21Å; L16-F95 HydrophobicContact CD1-CD2 3.91Å; L16-F95 HydrophobicContact CD1-CE1 4.22Å; L16-F95 HydrophobicContact CD1-CE2 3.52Å; L16-F95 HydrophobicContact CD1-CG 4.44Å; L16-F95 HydrophobicContact CD1-CZ 3.68Å; L16-F95 HydrophobicContact CD2-CD1 4.33Å; L16-F95 HydrophobicContact CD2-CE1 3.68Å; L16-F95 HydrophobicContact CD2-CE2 4.42Å; L16-F95 HydrophobicContact CD2-CZ 3.74Å; L16-F95 HydrophobicContact CG-CZ 4.39Å; L29-F95 HydrophobicContact CD1-CB 3.73Å; L29-F95 HydrophobicContact CD1-CD2 3.89Å; L29-F95 HydrophobicContact CD1-CG 3.86Å; D32-F95 CarbonylContact C-O 3.59Å; D32-F95 WeakPolarHBondContact CA-O 3.39Å; C33-F95 PolarHBondContact N-O 3.43Å; C33-F95 PolarHBondContact O-N 3.01Å; V36-F95 HydrophobicContact CB-CD2 4.47Å; V36-F95 HydrophobicContact CB-CE2 4.12Å; V36-F95 HydrophobicContact CG1-CE2 4.31Å; V36-F95 HydrophobicContact CG2-CE2 4.35Å; V45-F95 HydrophobicContact CG2-CE2 4.38Å; V45-F95 HydrophobicContact CG2-CZ 4.11Å; W55-F95 HydrophobicContact CE3-CB 4.16Å; W55-F95 HydrophobicContact CZ3-CB 4.38Å; V56-F95 WeakPolarHBondContact O-CA 3.44Å; A57-F95 HydrophobicContact CB-CD1 3.51Å; A57-F95 HydrophobicContact CB-CE1 3.41Å; A57-F95 VanDerWaalsContact CB-CE1 3.41Å; A57-F95 HydrophobicContact CB-CG 4.48Å; A57-F95 HydrophobicContact CB-CZ 4.3Å; F63-F95 WeakPolarHBondContact CE1-O 3.27Å; L70-F95 HydrophobicContact CD1-CD1 4.44Å; L70-F95 HydrophobicContact CD1-CE1 4.29Å; L92-F95 HydrophobicContact CB-CE1 4.09Å; L92-F95 HydrophobicContact CB-CE2 4.32Å; L92-F95 HydrophobicContact CB-CZ 3.51Å; L92-F95 HydrophobicContact CD1-CE1 4.14Å; L92-F95 HydrophobicContact CD1-CZ 4.25Å
96R97.7Very high88.5Confident22 Ų2245 Ų458%0.08325%0.251CS..EExtended strand (participates in β ladder)trans-145.3151.116966.9-175.9177.878.6-0.4111.2D32 W55 V56 F58 F63 E166 R169D32-R96 HydrophobicContact CB-CB 4.17Å; W55-R96 CarbonylContact C-O 3.53Å; W55-R96 WeakPolarHBondContact CA-O 3.22Å; W55-R96 VanDerWaalsContact CE3-C 3.43Å; V56-R96 HydrophobicContact CG1-CG 3.41Å; V56-R96 VanDerWaalsContact CG1-CG 3.41Å; V56-R96 VanDerWaalsContact CG1-NE 3.27Å; V56-R96 PolarHBondContact N-O 2.9Å; V56-R96 PolarHBondContact O-N 3.16Å; F58-R96 HydrophobicContact CE2-CG 4.07Å; F63-R96 HydrophobicContact CE1-CB 4.19Å; R96-E166 IonicContact CZ-OE1 2.59Å; R96-E166 IonicContact CZ-OE2 3.9Å; R96-E166 IonicContact NH1-OE1 2.73Å; R96-E166 PolarHBondContact NH1-OE1 3.34Å; R96-E166 IonicContact NH1-OE2 3.04Å; R96-E166 PolarHBondContact NH1-OE2 3.18Å; R96-E166 IonicContact NH2-OE1 3.63Å; R96-E166 PolarHBondContact NH2-OE1 2.91Å; R96-E166 IonicContact NH2-OE2 2.78Å; R96-R169 VanDerWaalsContact NE-NH1 3.15Å
97P97.5Very high90.5Very high24 Ų2447.1 Ų47.116%0.15625%0.249CC..EExtended strand (participates in β ladder)trans-69.2150.4169.230.5-34.8000111A12 V54 L99A12-P97 HydrophobicContact CB-CB 3.92Å; V54-P97 CarbonylContact O-C 3.57Å; V54-P97 WeakPolarHBondContact O-CA 3.4Å; P97-L99 HydrophobicContact CB-CD2 3.83Å; P97-L99 HydrophobicContact CB-CG 4.37Å; P97-L99 HydrophobicContact CG-CD2 4.06Å; P97-L99 HydrophobicContact CG-CG 4.36Å
98V97Very high91.9Very high6 Ų644.9 Ų44.94%0.03624%0.238CC..  trans-104.394.1171.1176.50000106.9V54 V56 I69 A101 A149 V164 E166V54-V98 HydrophobicContact CB-CB 4.15Å; V54-V98 HydrophobicContact CG1-CB 4.26Å; V54-V98 HydrophobicContact CG1-CG2 4.39Å; V54-V98 PolarHBondContact O-N 2.84Å; V56-V98 HydrophobicContact CB-CG2 4.24Å; V56-V98 HydrophobicContact CG1-CG2 4.08Å; I69-V98 HydrophobicContact CD1-CG2 4.25Å; V98-A101 HydrophobicContact CG1-CB 3.97Å; V98-A149 HydrophobicContact CG1-CB 3.49Å; V98-A149 VanDerWaalsContact CG1-CB 3.49Å; V98-V164 HydrophobicContact CG2-CG1 4.32Å; V98-E166 HydrophobicContact CG1-CG 3.98Å; V98-E166 WeakPolarHBondContact CG1-OE2 3.42Å
99L94.4Very high93.6Very high134 Ų13439.2 Ų39.270%0.70221%0.208SC*.THydrogen-bonded Turntrans-81.6-26.8-167.7-61.5179.3000113.2P97 A101P97-L99 HydrophobicContact CB-CD2 3.83Å; P97-L99 HydrophobicContact CB-CG 4.37Å; P97-L99 HydrophobicContact CG-CD2 4.06Å; P97-L99 HydrophobicContact CG-CG 4.36Å; L99-A101 VanDerWaalsContact C-N 3.29Å; L99-A101 PolarHBondContact O-N 3.14Å
100C93.9Very high94.9Very high26 Ų2638.9 Ų38.918%0.17621%0.206CC..THydrogen-bonded Turntrans-84.54178.964.60000114.1N102 G148 R167 D168C100-N102 PolarHBondContact O-N 3.04Å; C100-N102 VanDerWaalsContact O-N 3.15Å; C100-G148 CarbonylContact O-C 3.33Å; C100-G148 WeakPolarHBondContact O-CA 3.49Å; C100-G148 PolarHBondContact SG-O 2.95Å; C100-R167 HydrophobicContact CB-CB 4.43Å; C100-D168 HydrophobicContact CB-CB 4.32Å; C100-D168 VanDerWaalsContact SG-CG 3.56Å; C100-D168 PolarHBondContact SG-OD1 3.36Å
101A92.8Very high95.8Very high13 Ų1336.7 Ų36.711%0.10719%0.193CC..  trans-61.7116.6178.400000111.2V54 V98 L99 A149 V195 H197V54-A101 HydrophobicContact CB-CB 4.42Å; V54-A101 HydrophobicContact CG2-CB 4.07Å; V98-A101 HydrophobicContact CG1-CB 3.97Å; L99-A101 VanDerWaalsContact C-N 3.29Å; L99-A101 PolarHBondContact O-N 3.14Å; A101-A149 HydrophobicContact CB-CB 4.24Å; A101-V195 HydrophobicContact CB-CB 4.47Å; A101-V195 HydrophobicContact CB-CG1 3.9Å; A101-H197 HydrophobicContact CB-CB 4.14Å
102N92.9Very high96.1Very high60 Ų6037.5 Ų37.532%0.32120%0.197SC..  trans-147.491.9175.3-179.9-12.2000108.8C100 S104 D105 S106C100-N102 PolarHBondContact O-N 3.04Å; C100-N102 VanDerWaalsContact O-N 3.15Å; N102-S104 VanDerWaalsContact C-N 3.28Å; N102-S104 PolarHBondContact O-N 2.79Å; N102-S104 PolarHBondContact OD1-N 3.04Å; N102-S104 PolarHBondContact OD1-OG 3.22Å; N102-D105 PolarHBondContact O-N 3.09Å; N102-D105 VanDerWaalsContact O-N 3.14Å; N102-D105 PolarHBondContact OD1-N 3.25Å; N102-S106 PolarHBondContact O-N 3.15Å; N102-S106 VanDerWaalsContact O-N 3.09Å; N102-S106 PolarHBondContact O-OG 3.06Å
103H91.7Very high96.1Very high52 Ų5238.5 Ų38.524%0.24121%0.208CC..G310 helixtrans-53-42.6-172-174.678.1000113.2D105 D126 R194 H197H103-D105 VanDerWaalsContact C-N 3.34Å; H103-D105 PolarHBondContact O-N 3.12Å; H103-D126 IonicContact CE1-OD2 2.75Å; H103-R194 PolarHBondContact CE1-NE 3.25Å; H103-H197 PolarHBondContact N-ND1 3.37Å
104S92.8Very high96.2Very high105 Ų10541 Ų4173%0.73422%0.221SC*.G310 helixtrans-73.7-19.5-175.846.80000115.1N102N102-S104 VanDerWaalsContact C-N 3.28Å; N102-S104 PolarHBondContact O-N 2.79Å; N102-S104 PolarHBondContact OD1-N 3.04Å; N102-S104 PolarHBondContact OD1-OG 3.22Å
105D94.3Very high96.2Very high65 Ų6544.9 Ų44.935%0.34824%0.243SC..G310 helixtrans-11911.2-178.2-166.746.8000112.4N102 H103 R107 S147N102-D105 PolarHBondContact O-N 3.09Å; N102-D105 VanDerWaalsContact O-N 3.14Å; N102-D105 PolarHBondContact OD1-N 3.25Å; H103-D105 VanDerWaalsContact C-N 3.34Å; H103-D105 PolarHBondContact O-N 3.12Å; D105-R107 PolarHBondContact O-N 2.94Å; D105-R107 IonicContact OD1-CZ 2.75Å; D105-R107 VanDerWaalsContact OD1-CZ 3.22Å; D105-R107 IonicContact OD1-NH1 2.99Å; D105-R107 PolarHBondContact OD1-NH1 2.97Å; D105-R107 IonicContact OD1-NH2 3.45Å; D105-R107 PolarHBondContact OD1-NH2 3.25Å; D105-R107 IonicContact OD2-NH1 3.22Å; D105-S147 VanDerWaalsContact O-CB 3.23Å; D105-S147 WeakPolarHBondContact O-CB 3.39Å; D105-S147 PolarHBondContact O-OG 3.03Å
106S97.2Very high96.2Very high3 Ų346.3 Ų46.32%0.02125%0.249CC..  trans-66.6127.8179.1-78.40000111.7N102 S147 G148 W150N102-S106 PolarHBondContact O-N 3.15Å; N102-S106 VanDerWaalsContact O-N 3.09Å; N102-S106 PolarHBondContact O-OG 3.06Å; S106-S147 WeakPolarHBondContact CA-O 3.36Å; S106-G148 WeakPolarHBondContact OG-CA 3.49Å; S106-W150 WeakPolarHBondContact O-CZ2 3.44Å
107R98.3Very high96.2Very high117 Ų11751.1 Ų51.144%0.44227%0.272SS..EExtended strand (participates in β ladder)trans-138.2134.6174.8-57.9-170.2-175.779.110.5111D105 L123 I124 S146 S147D105-R107 PolarHBondContact O-N 2.94Å; D105-R107 IonicContact OD1-CZ 2.75Å; D105-R107 VanDerWaalsContact OD1-CZ 3.22Å; D105-R107 IonicContact OD1-NH1 2.99Å; D105-R107 PolarHBondContact OD1-NH1 2.97Å; D105-R107 IonicContact OD1-NH2 3.45Å; D105-R107 PolarHBondContact OD1-NH2 3.25Å; D105-R107 IonicContact OD2-NH1 3.22Å; R107-L123 WeakPolarHBondContact CA-O 3.49Å; R107-I124 HydrophobicContact CG-CG2 4Å; R107-S146 PolarHBondContact O-N 2.75Å; R107-S147 WeakPolarHBondContact CB-OG 3.44Å; R107-S147 PolarHBondContact N-O 2.99Å; R107-S147 PolarHBondContact N-OG 2.62Å; R107-S147 PolarHBondContact O-N 2.89Å
108V98.6Very high96.1Very high1 Ų152.9 Ų52.91%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-139.3143.1176.165.90000110.9L110 L123 L143 K144 V145 W150 I192V108-L110 HydrophobicContact CG2-CD2 4.25Å; V108-L123 HydrophobicContact CG1-CB 3.77Å; V108-L123 HydrophobicContact CG1-CD1 4.07Å; V108-L123 HydrophobicContact CG1-CG 4.21Å; V108-L123 PolarHBondContact N-O 3.04Å; V108-L123 PolarHBondContact O-N 2.8Å; V108-L143 HydrophobicContact CG2-CB 4.45Å; V108-L143 HydrophobicContact CG2-CD1 4.2Å; V108-K144 CarbonylContact C-O 3.57Å; V108-K144 VanDerWaalsContact CA-O 3.28Å; V108-K144 WeakPolarHBondContact CA-O 3.35Å; V108-K144 WeakPolarHBondContact CG2-O 3.18Å; V108-V145 HydrophobicContact CG2-CG2 4.08Å; V108-W150 HydrophobicContact CB-CD2 4.04Å; V108-W150 HydrophobicContact CB-CG 4.22Å; V108-W150 HydrophobicContact CB-CZ2 4.13Å; V108-W150 HydrophobicContact CG1-CD2 3.56Å; V108-W150 VanDerWaalsContact CG1-CE2 3.46Å; V108-W150 HydrophobicContact CG1-CE3 3.8Å; V108-W150 HydrophobicContact CG1-CG 4.17Å; V108-W150 HydrophobicContact CG1-CH2 3.82Å; V108-W150 HydrophobicContact CG1-CZ2 3.61Å; V108-W150 HydrophobicContact CG1-CZ3 3.91Å; V108-I192 HydrophobicContact CG1-CD1 4.05Å
109T98.5Very high96Very high13 Ų1356.4 Ų56.48%0.0832%0.318CS..EExtended strand (participates in β ladder)trans-110.7126.3172-49.40000109.1F111 K120 F121 D122 L143 K144T109-F111 HydrophobicContact CG2-CD2 4.22Å; T109-F111 HydrophobicContact CG2-CE1 4.25Å; T109-F111 HydrophobicContact CG2-CE2 3.51Å; T109-F111 HydrophobicContact CG2-CZ 3.52Å; T109-K120 HydrophobicContact CG2-CB 4.07Å; T109-K120 HydrophobicContact CG2-CD 4.11Å; T109-K120 HydrophobicContact CG2-CG 4.5Å; T109-F121 CarbonylContact C-O 3.57Å; T109-F121 WeakPolarHBondContact CA-O 3.27Å; T109-D122 WeakPolarHBondContact CB-OD1 3.37Å; T109-D122 WeakPolarHBondContact CG2-OD1 3.28Å; T109-D122 PolarHBondContact OG1-OD1 3.19Å; T109-L143 CarbonylContact O-C 3.51Å; T109-L143 VanDerWaalsContact O-CA 3.22Å; T109-L143 WeakPolarHBondContact O-CA 3.35Å; T109-L143 WeakPolarHBondContact O-CB 3.28Å; T109-K144 PolarHBondContact N-O 2.59Å; T109-K144 PolarHBondContact O-N 2.83Å
110L98.3Very high96Very high1 Ų155.7 Ų55.71%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-95.4145.2172-53.2-174.2000110V108 K120 F121 L123 L130 W135 V140 L143 I192V108-L110 HydrophobicContact CG2-CD2 4.25Å; L110-K120 WeakPolarHBondContact O-CA 3.49Å; L110-K120 WeakPolarHBondContact O-CB 3.38Å; L110-F121 PolarHBondContact N-O 3.02Å; L110-F121 PolarHBondContact O-N 3.48Å; L110-L123 HydrophobicContact CD1-CD1 3.67Å; L110-L123 HydrophobicContact CD2-CD1 4.49Å; L110-L123 HydrophobicContact CG-CD1 3.84Å; L110-L123 HydrophobicContact CG-CG 4.42Å; L110-L130 HydrophobicContact CD1-CD1 3.87Å; L110-L130 HydrophobicContact CD1-CD2 3.85Å; L110-W135 HydrophobicContact CB-CH2 3.97Å; L110-W135 HydrophobicContact CB-CZ3 3.87Å; L110-V140 HydrophobicContact CB-CG1 4.22Å; L110-V140 HydrophobicContact CD1-CG2 4.19Å; L110-V140 HydrophobicContact CD2-CG1 4.24Å; L110-L143 HydrophobicContact CD2-CB 3.84Å; L110-L143 HydrophobicContact CD2-CD2 4.31Å; L110-I192 HydrophobicContact CD2-CD1 4.29Å
111F97.9Very high96.2Very high19 Ų1957.4 Ų57.48%0.08331%0.314CS..EExtended strand (participates in β ladder)trans-128.1139.2177.5-62.5-96.7000110.6T109 F116 C119 K120 G141 S142 K144T109-F111 HydrophobicContact CG2-CD2 4.22Å; T109-F111 HydrophobicContact CG2-CE1 4.25Å; T109-F111 HydrophobicContact CG2-CE2 3.51Å; T109-F111 HydrophobicContact CG2-CZ 3.52Å; F111-F116 VanDerWaalsContact CD1-C 3.44Å; F111-F116 HydrophobicContact CD1-CB 3.9Å; F111-F116 VanDerWaalsContact CD1-O 3.32Å; F111-F116 WeakPolarHBondContact CD1-O 3.33Å; F111-F116 HydrophobicContact CD2-CB 4.17Å; F111-F116 AromaticContact CD2-CD1 3.84Å; F111-F116 HydrophobicContact CD2-CD1 3.84Å; F111-F116 HydrophobicContact CD2-CG 4.48Å; F111-F116 HydrophobicContact CE1-CB 3.83Å; F111-F116 HydrophobicContact CE2-CB 4.12Å; F111-F116 AromaticContact CE2-CD1 3.9Å; F111-F116 HydrophobicContact CE2-CD1 3.9Å; F111-F116 HydrophobicContact CE2-CG 4.37Å; F111-F116 HydrophobicContact CG-CB 4.08Å; F111-F116 HydrophobicContact CG-CD1 4.43Å; F111-F116 HydrophobicContact CZ-CB 3.95Å; F111-C119 WeakPolarHBondContact CA-O 3.48Å; F111-K120 HydrophobicContact CD1-CB 3.76Å; F111-K120 HydrophobicContact CE1-CB 3.85Å; F111-K120 HydrophobicContact CE1-CD 3.93Å; F111-K120 HydrophobicContact CG-CB 4.4Å; F111-K120 HydrophobicContact CZ-CD 4.41Å; F111-G141 PolarHBondContact O-N 2.91Å; F111-G141 VanDerWaalsContact O-N 3.13Å; F111-S142 WeakPolarHBondContact CB-O 3.31Å; F111-S142 WeakPolarHBondContact CB-OG 3.33Å; F111-S142 PolarHBondContact N-O 2.83Å; F111-S142 PolarHBondContact O-N 2.84Å; F111-K144 HydrophobicContact CE2-CB 4.22Å; F111-K144 HydrophobicContact CE2-CD 4.13Å; F111-K144 HydrophobicContact CE2-CG 3.86Å; F111-K144 HydrophobicContact CZ-CD 4.3Å
112E95.8Very high96.4Very high103 Ų10361.4 Ų61.448%0.48133%0.334SS..SBendtrans-63.2-45.9-177.4-179-178.1-177.500111.4C119 W135 G141E112-C119 HydrophobicContact CB-CB 4.43Å; E112-C119 PolarHBondContact N-O 3.01Å; E112-C119 PolarHBondContact OE2-N 2.72Å; E112-C119 PolarHBondContact OE2-SG 2.73Å; E112-W135 HydrophobicContact CB-CH2 4.43Å; E112-G141 PolarHBondContact O-N 3.44Å
113G96.6Very high96.6Very high23 Ų2358.6 Ų58.624%0.23732%0.319CS..SBendtrans-100.7169.2-179.800000113.6Q117 G141 S142G113-Q117 PolarHBondContact N-O 2.76Å; G113-G141 CarbonylContact O-C 3.55Å; G113-S142 WeakPolarHBondContact O-CB 3.44Å; G113-S142 PolarHBondContact O-N 3.48Å; G113-S142 PolarHBondContact O-OG 2.84Å
114D97.6Very high96.9Very high73 Ų7360.7 Ų60.739%0.3933%0.331SS..G310 helixtrans-61.9161.5169-64.3-12.8000111F116 Q117 R175 T176D114-F116 PolarHBondContact O-N 2.85Å; D114-F116 VanDerWaalsContact O-N 3.14Å; D114-Q117 WeakPolarHBondContact O-CB 3.24Å; D114-Q117 VanDerWaalsContact O-CG 3.31Å; D114-Q117 WeakPolarHBondContact O-CG 3.38Å; D114-Q117 PolarHBondContact O-N 3.45Å; D114-R175 CarbonylContact C-O 3.58Å; D114-R175 WeakPolarHBondContact CA-O 3.43Å; D114-T176 HydrophobicContact CB-CG2 4.2Å
115N97.9Very high97.1Very high83 Ų8359.1 Ų59.144%0.44431%0.314SS..G310 helixtrans52.736.2176.1-61.5-67.6000113.8Q117 R175N115-Q117 VanDerWaalsContact C-N 3.31Å; N115-Q117 PolarHBondContact O-N 3.35Å; N115-Q117 PolarHBondContact O-NE2 3.49Å; N115-Q117 VanDerWaalsContact O-NE2 3.09Å; N115-R175 PolarHBondContact N-O 2.87Å
116F97.9Very high97.2Very high29 Ų2958.4 Ų58.413%0.12731%0.311CS..G310 helixtrans62.735175.5-38.8-56.1000113.7F111 D114 S142 L143 K144 E173 R175F111-F116 VanDerWaalsContact CD1-C 3.44Å; F111-F116 HydrophobicContact CD1-CB 3.9Å; F111-F116 VanDerWaalsContact CD1-O 3.32Å; F111-F116 WeakPolarHBondContact CD1-O 3.33Å; F111-F116 HydrophobicContact CD2-CB 4.17Å; F111-F116 AromaticContact CD2-CD1 3.84Å; F111-F116 HydrophobicContact CD2-CD1 3.84Å; F111-F116 HydrophobicContact CD2-CG 4.48Å; F111-F116 HydrophobicContact CE1-CB 3.83Å; F111-F116 HydrophobicContact CE2-CB 4.12Å; F111-F116 AromaticContact CE2-CD1 3.9Å; F111-F116 HydrophobicContact CE2-CD1 3.9Å; F111-F116 HydrophobicContact CE2-CG 4.37Å; F111-F116 HydrophobicContact CG-CB 4.08Å; F111-F116 HydrophobicContact CG-CD1 4.43Å; F111-F116 HydrophobicContact CZ-CB 3.95Å; D114-F116 PolarHBondContact O-N 2.85Å; D114-F116 VanDerWaalsContact O-N 3.14Å; F116-S142 VanDerWaalsContact CA-OG 3.29Å; F116-S142 WeakPolarHBondContact CA-OG 3.22Å; F116-S142 PolarHBondContact N-OG 3.24Å; F116-L143 WeakPolarHBondContact CE1-O 3.42Å; F116-K144 HydrophobicContact CD1-CD 4.2Å; F116-K144 VanDerWaalsContact CD1-CE 3.48Å; F116-K144 HydrophobicContact CD1-CG 3.76Å; F116-K144 HydrophobicContact CE1-CD 4.31Å; F116-K144 HydrophobicContact CE1-CG 3.61Å; F116-K144 HydrophobicContact CG-CD 4.34Å; F116-K144 HydrophobicContact CG-CG 4.39Å; F116-K144 HydrophobicContact CZ-CG 4.1Å; F116-E173 HydrophobicContact CE2-CB 4.45Å; F116-E173 HydrophobicContact CZ-CB 3.81Å; F116-E173 HydrophobicContact CZ-CG 4.23Å; F116-R175 HydrophobicContact CE1-CG 4.46Å; F116-R175 HydrophobicContact CE2-CG 3.87Å; F116-R175 HydrophobicContact CZ-CB 4.39Å; F116-R175 HydrophobicContact CZ-CG 3.59Å
117Q97.6Very high97.2Very high124 Ų12460.7 Ų60.758%0.57932%0.319SS*.  trans-98.7161.5-179.8-59.9-55.9-53.200112.4G113 D114 N115G113-Q117 PolarHBondContact N-O 2.76Å; D114-Q117 WeakPolarHBondContact O-CB 3.24Å; D114-Q117 VanDerWaalsContact O-CG 3.31Å; D114-Q117 WeakPolarHBondContact O-CG 3.38Å; D114-Q117 PolarHBondContact O-N 3.45Å; N115-Q117 VanDerWaalsContact C-N 3.31Å; N115-Q117 PolarHBondContact O-N 3.35Å; N115-Q117 PolarHBondContact O-NE2 3.49Å; N115-Q117 VanDerWaalsContact O-NE2 3.09Å
118G95.4Very high97.2Very high61 Ų6158.4 Ų58.463%0.62932%0.319SS*.SBendtrans80.5-160.7174.800000113.9
119C94.6Very high97.1Very high79 Ų7959.6 Ų59.653%0.53433%0.328SS..  trans-63.5146.4178.6-61.60000110.7F111 E112F111-C119 WeakPolarHBondContact CA-O 3.48Å; E112-C119 HydrophobicContact CB-CB 4.43Å; E112-C119 PolarHBondContact N-O 3.01Å; E112-C119 PolarHBondContact OE2-N 2.72Å; E112-C119 PolarHBondContact OE2-SG 2.73Å
120K96Very high97Very high120 Ų12059 Ų5952%0.52232%0.324SS..EExtended strand (participates in β ladder)trans-132.8152.4179.772172-172.9161.20112.8T109 L110 F111T109-K120 HydrophobicContact CG2-CB 4.07Å; T109-K120 HydrophobicContact CG2-CD 4.11Å; T109-K120 HydrophobicContact CG2-CG 4.5Å; L110-K120 WeakPolarHBondContact O-CA 3.49Å; L110-K120 WeakPolarHBondContact O-CB 3.38Å; F111-K120 HydrophobicContact CD1-CB 3.76Å; F111-K120 HydrophobicContact CE1-CB 3.85Å; F111-K120 HydrophobicContact CE1-CD 3.93Å; F111-K120 HydrophobicContact CG-CB 4.4Å; F111-K120 HydrophobicContact CZ-CD 4.41Å
121F96.6Very high96.8Very high61 Ų6161.9 Ų61.927%0.26834%0.343SS..EExtended strand (participates in β ladder)trans-134.4126.4175.7-76.6-104.9000109.8T109 L110 L123 M133 W135T109-F121 CarbonylContact C-O 3.57Å; T109-F121 WeakPolarHBondContact CA-O 3.27Å; L110-F121 PolarHBondContact N-O 3.02Å; L110-F121 PolarHBondContact O-N 3.48Å; F121-L123 HydrophobicContact CB-CD2 4.25Å; F121-M133 HydrophobicContact CD1-CE 3.79Å; F121-M133 HydrophobicContact CD1-SD 4.05Å; F121-W135 HydrophobicContact CB-CE3 4.45Å; F121-W135 HydrophobicContact CB-CZ3 4.45Å; F121-W135 AromaticContact CD2-CE3 3.49Å; F121-W135 HydrophobicContact CD2-CE3 3.49Å; F121-W135 VanDerWaalsContact CD2-CE3 3.49Å; F121-W135 AromaticContact CD2-CZ3 3.63Å; F121-W135 HydrophobicContact CD2-CZ3 3.63Å; F121-W135 AromaticContact CE2-CE3 3.96Å; F121-W135 HydrophobicContact CE2-CE3 3.96Å; F121-W135 HydrophobicContact CE2-CZ3 4.34Å; F121-W135 HydrophobicContact CG-CE3 4.14Å; F121-W135 HydrophobicContact CG-CZ3 4.4Å
122D97.3Very high96.6Very high98 Ų9865.9 Ų65.952%0.52437%0.373SS..EExtended strand (participates in β ladder)trans-91.1123.6174.9-66.2-53.2000109.6T109T109-D122 WeakPolarHBondContact CB-OD1 3.37Å; T109-D122 WeakPolarHBondContact CG2-OD1 3.28Å; T109-D122 PolarHBondContact OG1-OD1 3.19Å
123L97.5Very high96.3Very high1 Ų163.8 Ų63.81%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-116.1134-175-47.1-174.9000110.6R107 V108 L110 F121 Y127 L130 M133 W150 I192R107-L123 WeakPolarHBondContact CA-O 3.49Å; V108-L123 HydrophobicContact CG1-CB 3.77Å; V108-L123 HydrophobicContact CG1-CD1 4.07Å; V108-L123 HydrophobicContact CG1-CG 4.21Å; V108-L123 PolarHBondContact N-O 3.04Å; V108-L123 PolarHBondContact O-N 2.8Å; L110-L123 HydrophobicContact CD1-CD1 3.67Å; L110-L123 HydrophobicContact CD2-CD1 4.49Å; L110-L123 HydrophobicContact CG-CD1 3.84Å; L110-L123 HydrophobicContact CG-CG 4.42Å; F121-L123 HydrophobicContact CB-CD2 4.25Å; L123-Y127 HydrophobicContact CB-CD2 4.35Å; L123-Y127 HydrophobicContact CB-CE2 3.94Å; L123-Y127 HydrophobicContact CD1-CD2 4.14Å; L123-Y127 HydrophobicContact CD1-CE2 4.44Å; L123-Y127 HydrophobicContact CD2-CD2 4.15Å; L123-Y127 HydrophobicContact CD2-CE2 3.77Å; L123-Y127 HydrophobicContact CG-CD2 4.46Å; L123-Y127 HydrophobicContact CG-CE2 4.27Å; L123-L130 HydrophobicContact CD1-CD2 4.2Å; L123-M133 HydrophobicContact CD2-CE 3.42Å; L123-M133 VanDerWaalsContact CD2-CE 3.42Å; L123-M133 HydrophobicContact CD2-SD 3.32Å; L123-M133 WeakPolarHBondContact CD2-SD 3.28Å; L123-W150 HydrophobicContact CB-CH2 4.06Å; L123-W150 HydrophobicContact CB-CZ3 4.46Å; L123-W150 WeakPolarHBondContact O-CZ2 3.21Å; L123-I192 HydrophobicContact CD1-CG2 3.63Å
124I97.3Very high96Very high95 Ų9565 Ų6549%0.48738%0.376SS..  trans-128.8-2.9177.365.7173.8000112.9R107 R194R107-I124 HydrophobicContact CG-CG2 4Å; I124-R194 WeakPolarHBondContact O-CD 3.5Å; I124-R194 PolarHBondContact O-NH1 2.83Å
125D97.1Very high95.8Very high73 Ų7362 Ų6239%0.3936%0.36SS..SBendtrans-131.8175.4-176.5-77.3-53.1000111.5Y127 W150 R194D125-Y127 HydrophobicContact CB-CE2 4.21Å; D125-Y127 WeakPolarHBondContact O-CD2 3.22Å; D125-Y127 WeakPolarHBondContact O-CE2 3.45Å; D125-W150 WeakPolarHBondContact O-CH2 3.36Å; D125-W150 VanDerWaalsContact O-CZ3 3.29Å; D125-W150 WeakPolarHBondContact O-CZ3 3.44Å; D125-R194 IonicContact OD1-CZ 2.83Å; D125-R194 IonicContact OD1-NH1 3.76Å; D125-R194 PolarHBondContact OD1-NH1 3.13Å; D125-R194 IonicContact OD1-NH2 3.43Å; D125-R194 PolarHBondContact OD1-NH2 2.99Å
126D97.9Very high95.4Very high50 Ų5063.3 Ų63.327%0.26738%0.382SS..  trans-85.1133.4179.6-50.5-42.4000110.7H103 R193 R194H103-D126 IonicContact CE1-OD2 2.75Å; D126-R193 HydrophobicContact CB-CB 3.88Å; D126-R193 WeakPolarHBondContact OD1-CA 3.26Å; D126-R194 WeakPolarHBondContact OD1-CB 3.45Å; D126-R194 WeakPolarHBondContact OD1-CG 3.3Å; D126-R194 IonicContact OD1-CZ 2.69Å; D126-R194 PolarHBondContact OD1-N 2.86Å; D126-R194 IonicContact OD1-NE 3.76Å; D126-R194 PolarHBondContact OD1-NE 3.24Å; D126-R194 IonicContact OD1-NH2 3.34Å; D126-R194 IonicContact OD2-CZ 3.87Å; D126-R194 IonicContact OD2-NE 2.79Å; D126-R194 IonicContact OD2-NH2 3.35Å; D126-R194 PolarHBondContact OD2-NH2 3.27Å
127Y97.5Very high95Very high50 Ų5064.1 Ų64.120%0.19639%0.391CS..BIsolated β-bridgetrans-122.999-177-69.4-88.6000110.2L123 D125 S129 M133 S191 I192L123-Y127 HydrophobicContact CB-CD2 4.35Å; L123-Y127 HydrophobicContact CB-CE2 3.94Å; L123-Y127 HydrophobicContact CD1-CD2 4.14Å; L123-Y127 HydrophobicContact CD1-CE2 4.44Å; L123-Y127 HydrophobicContact CD2-CD2 4.15Å; L123-Y127 HydrophobicContact CD2-CE2 3.77Å; L123-Y127 HydrophobicContact CG-CD2 4.46Å; L123-Y127 HydrophobicContact CG-CE2 4.27Å; D125-Y127 HydrophobicContact CB-CE2 4.21Å; D125-Y127 WeakPolarHBondContact O-CD2 3.22Å; D125-Y127 WeakPolarHBondContact O-CE2 3.45Å; Y127-S129 PolarHBondContact O-N 3.23Å; Y127-M133 HydrophobicContact CD1-CB 4.07Å; Y127-M133 HydrophobicContact CD1-CG 4.03Å; Y127-M133 HydrophobicContact CD1-SD 3.9Å; Y127-M133 HydrophobicContact CE1-CB 4.14Å; Y127-M133 HydrophobicContact CE1-CE 4.06Å; Y127-M133 HydrophobicContact CE1-CG 3.6Å; Y127-M133 HydrophobicContact CE1-SD 3.49Å; Y127-M133 WeakPolarHBondContact CE1-SD 3.37Å; Y127-M133 HydrophobicContact CE2-SD 4.44Å; Y127-S191 VanDerWaalsContact O-CA 3.28Å; Y127-S191 WeakPolarHBondContact O-CA 3.49Å; Y127-S191 VanDerWaalsContact O-CB 3.23Å; Y127-S191 WeakPolarHBondContact O-CB 3.49Å; Y127-I192 CarbonylContact C-O 3.6Å; Y127-I192 PolarHBondContact N-O 2.88Å; Y127-I192 PolarHBondContact O-N 2.92Å
128P97.1Very high94.8Very high69 Ų6964.6 Ų64.645%0.44839%0.391SS..SBendtrans-69.8-11.2175.929.2-34.7000112.7P156 G157 Y158 S191P128-P156 CarbonylContact O-C 3.55Å; P128-P156 WeakPolarHBondContact O-CA 3.47Å; P128-G157 PolarHBondContact O-N 2.73Å; P128-Y158 HydrophobicContact CB-CE1 4.35Å; P128-Y158 HydrophobicContact CB-CE2 4.18Å; P128-Y158 WeakPolarHBondContact CD-OH 3.33Å; P128-S191 WeakPolarHBondContact O-CB 3.33Å
129S97Very high94.8Very high26 Ų2665.1 Ų65.118%0.18238%0.38CS..  trans-151.7104.1176174.60000109.5Y127 P131 S132 Q190Y127-S129 PolarHBondContact O-N 3.23Å; S129-P131 VanDerWaalsContact C-N 3.34Å; S129-S132 VanDerWaalsContact CB-OG 3.31Å; S129-S132 WeakPolarHBondContact CB-OG 3.34Å; S129-S132 WeakPolarHBondContact O-CB 3.32Å; S129-S132 PolarHBondContact O-N 2.98Å; S129-S132 PolarHBondContact OG-N 2.97Å; S129-S132 PolarHBondContact OG-OG 2.97Å; S129-Q190 WeakPolarHBondContact CA-O 3.39Å
130L96.8Very high94.9Very high2 Ų261.4 Ų61.41%0.0135%0.354CS..THydrogen-bonded Turntrans-58.4-40.7172.3-68.5177.1000112.2L110 L123 S132 M133 W135 V140 L189 Q190 I192L110-L130 HydrophobicContact CD1-CD1 3.87Å; L110-L130 HydrophobicContact CD1-CD2 3.85Å; L123-L130 HydrophobicContact CD1-CD2 4.2Å; L130-S132 PolarHBondContact O-N 2.74Å; L130-M133 WeakPolarHBondContact O-CB 3.23Å; L130-M133 PolarHBondContact O-N 3.29Å; L130-W135 HydrophobicContact CB-CB 3.88Å; L130-W135 HydrophobicContact CB-CG 4.17Å; L130-W135 VanDerWaalsContact O-CB 3.26Å; L130-W135 WeakPolarHBondContact O-CB 3.46Å; L130-W135 PolarHBondContact O-N 2.81Å; L130-V140 HydrophobicContact CD1-CG2 4.38Å; L130-L189 WeakPolarHBondContact CD1-O 3.44Å; L130-Q190 PolarHBondContact N-O 3.19Å; L130-I192 HydrophobicContact CD2-CG2 3.87Å
131P94Very high95Very high60 Ų6056 Ų5639%0.3933%0.333SS..G310 helixtrans-57.7-33.8175.3-27.836.7000114S129 M133 G134 W135S129-P131 VanDerWaalsContact C-N 3.34Å; P131-M133 PolarHBondContact O-N 2.98Å; P131-G134 PolarHBondContact O-N 2.78Å; P131-W135 WeakPolarHBondContact CA-O 3.49Å
132S92.9Very high95Very high103 Ų10353.1 Ų53.172%0.7232%0.32SS*.G310 helixtrans-68.9-17.5178-59.20000113.4S129 L130S129-S132 VanDerWaalsContact CB-OG 3.31Å; S129-S132 WeakPolarHBondContact CB-OG 3.34Å; S129-S132 WeakPolarHBondContact O-CB 3.32Å; S129-S132 PolarHBondContact O-N 2.98Å; S129-S132 PolarHBondContact OG-N 2.97Å; S129-S132 PolarHBondContact OG-OG 2.97Å; L130-S132 PolarHBondContact O-N 2.74Å
133M89.9Confident95.1Very high60 Ų6048.4 Ų48.430%0.29630%0.295SS..G310 helixtrans-86.7-7.1172.7-164-161.5174.200112.5F121 L123 Y127 L130 P131F121-M133 HydrophobicContact CD1-CE 3.79Å; F121-M133 HydrophobicContact CD1-SD 4.05Å; L123-M133 HydrophobicContact CD2-CE 3.42Å; L123-M133 VanDerWaalsContact CD2-CE 3.42Å; L123-M133 HydrophobicContact CD2-SD 3.32Å; L123-M133 WeakPolarHBondContact CD2-SD 3.28Å; Y127-M133 HydrophobicContact CD1-CB 4.07Å; Y127-M133 HydrophobicContact CD1-CG 4.03Å; Y127-M133 HydrophobicContact CD1-SD 3.9Å; Y127-M133 HydrophobicContact CE1-CB 4.14Å; Y127-M133 HydrophobicContact CE1-CE 4.06Å; Y127-M133 HydrophobicContact CE1-CG 3.6Å; Y127-M133 HydrophobicContact CE1-SD 3.49Å; Y127-M133 WeakPolarHBondContact CE1-SD 3.37Å; Y127-M133 HydrophobicContact CE2-SD 4.44Å; L130-M133 WeakPolarHBondContact O-CB 3.23Å; L130-M133 PolarHBondContact O-N 3.29Å; P131-M133 PolarHBondContact O-N 2.98Å
134G90.8Very high95.1Very high48 Ų4851.1 Ų51.150%0.49531%0.307SS..THydrogen-bonded Turntrans96.99.9-173.800000114.4P131 A136P131-G134 PolarHBondContact O-N 2.78Å; G134-A136 PolarHBondContact O-N 3.19Å
135W93.4Very high95.2Very high11 Ų1146.7 Ų46.74%0.04228%0.284CS..  trans-68.2110.5169.6-170.9-102.3000110L110 E112 F121 L130 P131 S137 D139 V140L110-W135 HydrophobicContact CB-CH2 3.97Å; L110-W135 HydrophobicContact CB-CZ3 3.87Å; E112-W135 HydrophobicContact CB-CH2 4.43Å; F121-W135 HydrophobicContact CB-CE3 4.45Å; F121-W135 HydrophobicContact CB-CZ3 4.45Å; F121-W135 AromaticContact CD2-CE3 3.49Å; F121-W135 HydrophobicContact CD2-CE3 3.49Å; F121-W135 VanDerWaalsContact CD2-CE3 3.49Å; F121-W135 AromaticContact CD2-CZ3 3.63Å; F121-W135 HydrophobicContact CD2-CZ3 3.63Å; F121-W135 AromaticContact CE2-CE3 3.96Å; F121-W135 HydrophobicContact CE2-CE3 3.96Å; F121-W135 HydrophobicContact CE2-CZ3 4.34Å; F121-W135 HydrophobicContact CG-CE3 4.14Å; F121-W135 HydrophobicContact CG-CZ3 4.4Å; L130-W135 HydrophobicContact CB-CB 3.88Å; L130-W135 HydrophobicContact CB-CG 4.17Å; L130-W135 VanDerWaalsContact O-CB 3.26Å; L130-W135 WeakPolarHBondContact O-CB 3.46Å; L130-W135 PolarHBondContact O-N 2.81Å; P131-W135 WeakPolarHBondContact CA-O 3.49Å; W135-S137 PolarHBondContact NE1-O 2.93Å; W135-D139 WeakPolarHBondContact CZ2-O 3.46Å; W135-D139 PolarHBondContact NE1-O 3.05Å; W135-D139 VanDerWaalsContact NE1-O 3.1Å; W135-V140 HydrophobicContact CH2-CG2 4.5Å; W135-V140 HydrophobicContact CZ2-CB 4.3Å; W135-V140 HydrophobicContact CZ2-CG2 3.73Å
136A88.5Confident95.2Very high110 Ų11046.4 Ų46.491%0.90929%0.288SS*.  trans-78.6-24.6-16900000114.3G134G134-A136 PolarHBondContact O-N 3.19Å
137S90.9Very high95.2Very high45 Ų4544.8 Ų44.832%0.31528%0.28SS..  trans-94.3161.9-177.4-173.30000111.9W135 D139W135-S137 PolarHBondContact NE1-O 2.93Å; S137-D139 VanDerWaalsContact C-N 3.34Å; S137-D139 WeakPolarHBondContact CB-O 3.17Å; S137-D139 PolarHBondContact OG-N 2.89Å; S137-D139 PolarHBondContact OG-O 3.08Å
138K92.6Very high95.2Very high134 Ų13442.7 Ų42.758%0.58327%0.274SS*.SBendtrans-84.2-19.6164-64.3-175.4-177.9175.10112Q188 L189K138-Q188 HydrophobicContact CB-CG 4.47Å; K138-Q188 WeakPolarHBondContact O-CA 3.44Å; K138-L189 PolarHBondContact O-N 3.3Å
139D95.4Very high95.2Very high73 Ų7339.4 Ų39.439%0.3925%0.253SS..BIsolated β-bridgetrans-101.3148.8-176-59.2-52.1000110.8W135 S137 G187 Q188W135-D139 WeakPolarHBondContact CZ2-O 3.46Å; W135-D139 PolarHBondContact NE1-O 3.05Å; W135-D139 VanDerWaalsContact NE1-O 3.1Å; S137-D139 VanDerWaalsContact C-N 3.34Å; S137-D139 WeakPolarHBondContact CB-O 3.17Å; S137-D139 PolarHBondContact OG-N 2.89Å; S137-D139 PolarHBondContact OG-O 3.08Å; D139-G187 CarbonylContact C-O 3.54Å; D139-G187 VanDerWaalsContact CA-O 3.3Å; D139-G187 WeakPolarHBondContact CA-O 3.27Å; D139-Q188 VanDerWaalsContact OD1-CA 3.26Å; D139-Q188 WeakPolarHBondContact OD1-CA 3.3Å; D139-Q188 PolarHBondContact OD1-N 3.41Å
140V97.4Very high95.3Very high0 Ų038.2 Ų38.20%024%0.244CC..  trans-117.3114.91661750000106.2L110 L130 W135 S142 F180 G187 L189L110-V140 HydrophobicContact CB-CG1 4.22Å; L110-V140 HydrophobicContact CD1-CG2 4.19Å; L110-V140 HydrophobicContact CD2-CG1 4.24Å; L130-V140 HydrophobicContact CD1-CG2 4.38Å; W135-V140 HydrophobicContact CH2-CG2 4.5Å; W135-V140 HydrophobicContact CZ2-CB 4.3Å; W135-V140 HydrophobicContact CZ2-CG2 3.73Å; V140-S142 WeakPolarHBondContact CG1-O 3.14Å; V140-F180 HydrophobicContact CG1-CZ 4.46Å; V140-G187 PolarHBondContact N-O 3.05Å; V140-L189 HydrophobicContact CB-CB 4.37Å; V140-L189 HydrophobicContact CB-CD1 4.08Å; V140-L189 HydrophobicContact CG2-CB 3.91Å; V140-L189 HydrophobicContact CG2-CD1 4.3Å
141G96.4Very high95.3Very high7 Ų738.1 Ų38.17%0.07224%0.244CC..  trans-71.8-42-177.800000112.3F111 E112 G113 T176 Y177F111-G141 PolarHBondContact O-N 2.91Å; F111-G141 VanDerWaalsContact O-N 3.13Å; E112-G141 PolarHBondContact O-N 3.44Å; G113-G141 CarbonylContact O-C 3.55Å; G141-T176 CarbonylContact O-C 3.57Å; G141-T176 WeakPolarHBondContact O-CA 3.47Å; G141-Y177 PolarHBondContact O-N 2.91Å
142S98.1Very high95.5Very high0 Ų035.2 Ų35.20%023%0.225CC..EExtended strand (participates in β ladder)trans-152.4163.2178.661.20000112.4F111 G113 F116 V140 F174 R175F111-S142 WeakPolarHBondContact CB-O 3.31Å; F111-S142 WeakPolarHBondContact CB-OG 3.33Å; F111-S142 PolarHBondContact N-O 2.83Å; F111-S142 PolarHBondContact O-N 2.84Å; G113-S142 WeakPolarHBondContact O-CB 3.44Å; G113-S142 PolarHBondContact O-N 3.48Å; G113-S142 PolarHBondContact O-OG 2.84Å; F116-S142 VanDerWaalsContact CA-OG 3.29Å; F116-S142 WeakPolarHBondContact CA-OG 3.22Å; F116-S142 PolarHBondContact N-OG 3.24Å; V140-S142 WeakPolarHBondContact CG1-O 3.14Å; S142-F174 WeakPolarHBondContact CA-O 3.38Å; S142-F174 WeakPolarHBondContact CB-O 3.49Å; S142-R175 VanDerWaalsContact CB-O 3.29Å; S142-R175 WeakPolarHBondContact CB-O 3.38Å
143L98.2Very high95.6Very high0 Ų030.9 Ų30.90%019%0.193CC..EExtended strand (participates in β ladder)trans-149.6156178.863.788.8000113.1V108 T109 L110 F116 V145 L165 F174 F180 L189V108-L143 HydrophobicContact CG2-CB 4.45Å; V108-L143 HydrophobicContact CG2-CD1 4.2Å; T109-L143 CarbonylContact O-C 3.51Å; T109-L143 VanDerWaalsContact O-CA 3.22Å; T109-L143 WeakPolarHBondContact O-CA 3.35Å; T109-L143 WeakPolarHBondContact O-CB 3.28Å; L110-L143 HydrophobicContact CD2-CB 3.84Å; L110-L143 HydrophobicContact CD2-CD2 4.31Å; F116-L143 WeakPolarHBondContact CE1-O 3.42Å; L143-V145 HydrophobicContact CD1-CG2 3.89Å; L143-L165 HydrophobicContact CD1-CB 4.31Å; L143-L165 HydrophobicContact CD1-CD1 3.84Å; L143-L165 HydrophobicContact CD1-CD2 4.16Å; L143-L165 HydrophobicContact CD1-CG 4.32Å; L143-L165 HydrophobicContact CD2-CD1 3.39Å; L143-L165 HydrophobicContact CD2-CD2 4.12Å; L143-L165 HydrophobicContact CD2-CG 4.35Å; L143-L165 HydrophobicContact CG-CD1 4.27Å; L143-F174 HydrophobicContact CD1-CB 4.03Å; L143-F174 HydrophobicContact CD1-CD2 3.43Å; L143-F174 VanDerWaalsContact CD1-CD2 3.43Å; L143-F174 HydrophobicContact CD1-CE2 4.15Å; L143-F174 HydrophobicContact CD1-CG 3.95Å; L143-F174 HydrophobicContact CG-CB 4.03Å; L143-F174 HydrophobicContact CG-CD2 4.35Å; L143-F174 HydrophobicContact CG-CG 4.43Å; L143-F174 PolarHBondContact N-O 3.26Å; L143-F174 PolarHBondContact O-N 3.44Å; L143-F180 HydrophobicContact CD2-CD1 4.09Å; L143-F180 HydrophobicContact CD2-CE1 3.48Å; L143-F180 VanDerWaalsContact CD2-CE1 3.48Å; L143-F180 HydrophobicContact CD2-CE2 4.37Å; L143-F180 HydrophobicContact CD2-CZ 3.65Å; L143-F180 HydrophobicContact CG-CD1 4.49Å; L143-F180 HydrophobicContact CG-CE1 3.74Å; L143-F180 HydrophobicContact CG-CZ 4.21Å; L143-L189 HydrophobicContact CD2-CD1 4.36Å
144K98.5Very high95.9Very high57 Ų5729 Ų2925%0.24818%0.183CC..EExtended strand (participates in β ladder)trans-125.2111.7175.5-68.8-170.8178.5-1490111.3V108 T109 F111 F116 S146 G172 E173V108-K144 CarbonylContact C-O 3.57Å; V108-K144 VanDerWaalsContact CA-O 3.28Å; V108-K144 WeakPolarHBondContact CA-O 3.35Å; V108-K144 WeakPolarHBondContact CG2-O 3.18Å; T109-K144 PolarHBondContact N-O 2.59Å; T109-K144 PolarHBondContact O-N 2.83Å; F111-K144 HydrophobicContact CE2-CB 4.22Å; F111-K144 HydrophobicContact CE2-CD 4.13Å; F111-K144 HydrophobicContact CE2-CG 3.86Å; F111-K144 HydrophobicContact CZ-CD 4.3Å; F116-K144 HydrophobicContact CD1-CD 4.2Å; F116-K144 VanDerWaalsContact CD1-CE 3.48Å; F116-K144 HydrophobicContact CD1-CG 3.76Å; F116-K144 HydrophobicContact CE1-CD 4.31Å; F116-K144 HydrophobicContact CE1-CG 3.61Å; F116-K144 HydrophobicContact CG-CD 4.34Å; F116-K144 HydrophobicContact CG-CG 4.39Å; F116-K144 HydrophobicContact CZ-CG 4.1Å; K144-S146 PolarHBondContact O-N 2.97Å; K144-G172 CarbonylContact C-O 3.58Å; K144-G172 VanDerWaalsContact CA-O 3.24Å; K144-G172 WeakPolarHBondContact CA-O 3.39Å; K144-E173 WeakPolarHBondContact CE-OE1 3.16Å; K144-E173 HydrophobicContact CG-CG 4.44Å; K144-E173 IonicContact NZ-OE1 2.75Å; K144-E173 PolarHBondContact NZ-OE1 3.12Å
145V98.4Very high96.1Very high3 Ų330.7 Ų30.72%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-80.5107.3168.9-173.60000107.6V108 L143 G148 L165 R167 G172 F174V108-V145 HydrophobicContact CG2-CG2 4.08Å; L143-V145 HydrophobicContact CD1-CG2 3.89Å; V145-G148 WeakPolarHBondContact CG1-O 3.18Å; V145-L165 HydrophobicContact CG2-CB 3.79Å; V145-R167 HydrophobicContact CG1-CB 4.02Å; V145-R167 WeakPolarHBondContact O-CD 3.39Å; V145-G172 PolarHBondContact N-O 3.46Å; V145-G172 WeakPolarHBondContact O-CA 3.47Å; V145-F174 HydrophobicContact CG2-CD2 4.49Å; V145-F174 HydrophobicContact CG2-CE2 4.04Å
146S97.9Very high96.2Very high67 Ų6732.1 Ų32.147%0.46919%0.186SC..EExtended strand (participates in β ladder)trans-80.5-32.7-179.7-660000111.9R107 K144 R167R107-S146 PolarHBondContact O-N 2.75Å; K144-S146 PolarHBondContact O-N 2.97Å; S146-R167 WeakPolarHBondContact O-CD 3.42Å; S146-R167 PolarHBondContact O-NE 3.33Å
147S97.6Very high96.6Very high15 Ų1528.7 Ų28.711%0.10516%0.162CC..EExtended strand (participates in β ladder)trans-161156178.548.30000110.5D105 S106 R107D105-S147 VanDerWaalsContact O-CB 3.23Å; D105-S147 WeakPolarHBondContact O-CB 3.39Å; D105-S147 PolarHBondContact O-OG 3.03Å; S106-S147 WeakPolarHBondContact CA-O 3.36Å; R107-S147 WeakPolarHBondContact CB-OG 3.44Å; R107-S147 PolarHBondContact N-O 2.99Å; R107-S147 PolarHBondContact N-OG 2.62Å; R107-S147 PolarHBondContact O-N 2.89Å
148G96.6Very high96.7Very high7 Ų730.1 Ų30.17%0.07216%0.161CC..SBendtrans76.7-163.1178.800000114.1C100 S106 V145 R167C100-G148 CarbonylContact O-C 3.33Å; C100-G148 WeakPolarHBondContact O-CA 3.49Å; C100-G148 PolarHBondContact SG-O 2.95Å; S106-G148 WeakPolarHBondContact OG-CA 3.49Å; V145-G148 WeakPolarHBondContact CG1-O 3.18Å; G148-R167 WeakPolarHBondContact O-CB 3.34Å; G148-R167 PolarHBondContact O-N 2.95Å
149A97.8Very high96.8Very high0 Ų029.4 Ų29.40%016%0.155CC..EExtended strand (participates in β ladder)trans-130.9147.4170.900000109.6V98 A101 L165 E166 V195V98-A149 HydrophobicContact CG1-CB 3.49Å; V98-A149 VanDerWaalsContact CG1-CB 3.49Å; A101-A149 HydrophobicContact CB-CB 4.24Å; A149-L165 WeakPolarHBondContact CA-O 3.27Å; A149-E166 HydrophobicContact CB-CG 4.03Å; A149-V195 HydrophobicContact CB-CB 4.05Å; A149-V195 HydrophobicContact CB-CG2 3.98Å; A149-V195 WeakPolarHBondContact O-CB 3.26Å; A149-V195 PolarHBondContact O-N 3.04Å
150W98.4Very high96.6Very high0 Ų026 Ų260%014%0.137CC..EExtended strand (participates in β ladder)trans-131.1154.9-176.6-65.978.3000109.9S106 V108 L123 D125 L165 I192 R193 R194S106-W150 WeakPolarHBondContact O-CZ2 3.44Å; V108-W150 HydrophobicContact CB-CD2 4.04Å; V108-W150 HydrophobicContact CB-CG 4.22Å; V108-W150 HydrophobicContact CB-CZ2 4.13Å; V108-W150 HydrophobicContact CG1-CD2 3.56Å; V108-W150 VanDerWaalsContact CG1-CE2 3.46Å; V108-W150 HydrophobicContact CG1-CE3 3.8Å; V108-W150 HydrophobicContact CG1-CG 4.17Å; V108-W150 HydrophobicContact CG1-CH2 3.82Å; V108-W150 HydrophobicContact CG1-CZ2 3.61Å; V108-W150 HydrophobicContact CG1-CZ3 3.91Å; L123-W150 HydrophobicContact CB-CH2 4.06Å; L123-W150 HydrophobicContact CB-CZ3 4.46Å; L123-W150 WeakPolarHBondContact O-CZ2 3.21Å; D125-W150 WeakPolarHBondContact O-CH2 3.36Å; D125-W150 VanDerWaalsContact O-CZ3 3.29Å; D125-W150 WeakPolarHBondContact O-CZ3 3.44Å; W150-L165 HydrophobicContact CB-CB 4.35Å; W150-L165 PolarHBondContact N-O 3.34Å; W150-L165 PolarHBondContact O-N 3.02Å; W150-I192 HydrophobicContact CB-CD1 4.31Å; W150-I192 HydrophobicContact CB-CG1 4.43Å; W150-I192 HydrophobicContact CE3-CD1 4.05Å; W150-I192 HydrophobicContact CE3-CG1 3.88Å; W150-R193 WeakPolarHBondContact CA-O 3.33Å; W150-R193 VanDerWaalsContact CE3-C 3.45Å; W150-R194 HydrophobicContact CD2-CG 4.19Å; W150-R194 HydrophobicContact CE3-CG 3.9Å; W150-R194 HydrophobicContact CH2-CG 3.48Å; W150-R194 VanDerWaalsContact CH2-CG 3.48Å; W150-R194 HydrophobicContact CZ2-CG 3.74Å; W150-R194 HydrophobicContact CZ3-CG 3.56Å
151V97.8Very high96.5Very high0 Ų028.4 Ų28.40%015%0.146CC..EExtended strand (participates in β ladder)trans-126.1120168.2560000108.7I69 Y153 Q162 Y163 I192 R193 V195I69-V151 HydrophobicContact CB-CG2 4.48Å; I69-V151 HydrophobicContact CG2-CG1 4.27Å; I69-V151 HydrophobicContact CG2-CG2 4.28Å; V151-Y153 HydrophobicContact CB-CE2 4.28Å; V151-Y153 HydrophobicContact CG1-CE2 3.76Å; V151-Y153 WeakPolarHBondContact CG1-OH 3.34Å; V151-Y153 HydrophobicContact CG2-CD2 4.49Å; V151-Y153 HydrophobicContact CG2-CE1 4.22Å; V151-Y153 HydrophobicContact CG2-CE2 3.83Å; V151-Y153 WeakPolarHBondContact O-CE2 3.45Å; V151-Q162 HydrophobicContact CG2-CB 3.96Å; V151-Y163 WeakPolarHBondContact CA-O 3.36Å; V151-I192 WeakPolarHBondContact O-CA 3.49Å; V151-R193 HydrophobicContact CG1-CG 3.48Å; V151-R193 VanDerWaalsContact CG1-CG 3.48Å; V151-R193 PolarHBondContact N-O 2.8Å; V151-R193 PolarHBondContact O-N 3.09Å; V151-V195 HydrophobicContact CG1-CG2 4.4Å
152A97.4Very high96.4Very high0 Ų028.7 Ų28.70%015%0.145CC..EExtended strand (participates in β ladder)trans-100.6151.2176.600000110.4Q162 Y163 L165 L189 I192A152-Q162 CarbonylContact O-C 3.3Å; A152-Q162 WeakPolarHBondContact O-CA 3.32Å; A152-Y163 PolarHBondContact N-O 2.96Å; A152-Y163 PolarHBondContact O-N 3Å; A152-L165 HydrophobicContact CB-CD1 3.87Å; A152-L189 HydrophobicContact CB-CD1 3.83Å; A152-L189 HydrophobicContact CB-CD2 3.81Å; A152-L189 HydrophobicContact CB-CG 4.35Å; A152-I192 HydrophobicContact CB-CB 4.33Å; A152-I192 HydrophobicContact CB-CD1 4.09Å; A152-I192 HydrophobicContact CB-CG1 3.91Å
153Y96.2Very high96.3Very high12 Ų1228.8 Ų28.85%0.04715%0.146CC..EExtended strand (participates in β ladder)trans-132.5143.7-173.7-60.7-96.1000111.7V151 Y155 Y158 Y161 Q162 L189 Q190 S191 R193V151-Y153 HydrophobicContact CB-CE2 4.28Å; V151-Y153 HydrophobicContact CG1-CE2 3.76Å; V151-Y153 WeakPolarHBondContact CG1-OH 3.34Å; V151-Y153 HydrophobicContact CG2-CD2 4.49Å; V151-Y153 HydrophobicContact CG2-CE1 4.22Å; V151-Y153 HydrophobicContact CG2-CE2 3.83Å; V151-Y153 WeakPolarHBondContact O-CE2 3.45Å; Y153-Y155 VanDerWaalsContact C-N 3.29Å; Y153-Y155 PolarHBondContact O-N 3.28Å; Y153-Y158 WeakPolarHBondContact CD1-O 3.39Å; Y153-Y158 AromaticContact CD2-CD1 3.72Å; Y153-Y158 HydrophobicContact CD2-CD1 3.72Å; Y153-Y158 HydrophobicContact CD2-CG 4.24Å; Y153-Y158 AromaticContact CE2-CD1 3.72Å; Y153-Y158 HydrophobicContact CE2-CD1 3.72Å; Y153-Y158 HydrophobicContact CE2-CG 4.02Å; Y153-Y161 VanDerWaalsContact CA-O 3.31Å; Y153-Y161 WeakPolarHBondContact CA-O 3.26Å; Y153-Q162 HydrophobicContact CD1-CB 4.33Å; Y153-Q162 HydrophobicContact CD1-CG 3.86Å; Y153-Q162 HydrophobicContact CE1-CB 4.18Å; Y153-Q162 HydrophobicContact CE1-CG 3.57Å; Y153-L189 WeakPolarHBondContact O-CA 3.17Å; Y153-Q190 PolarHBondContact O-N 3.05Å; Y153-S191 WeakPolarHBondContact CB-OG 3.46Å; Y153-S191 PolarHBondContact N-O 3.16Å; Y153-S191 PolarHBondContact O-N 3.04Å; Y153-R193 HydrophobicContact CE2-CG 4.09Å; Y153-R193 PolarHBondContact OH-NE 2.83Å
154Q95.2Very high96.3Very high19 Ų1929 Ų299%0.08915%0.147CC..EExtended strand (participates in β ladder)trans-58.4-37.4179.9-173179.320.700113.6R159 Y161 Q188 Q190Q154-R159 PolarHBondContact N-O 3.27Å; Q154-Y161 PolarHBondContact N-O 3.21Å; Q154-Y161 VanDerWaalsContact OE1-CD2 3.29Å; Q154-Q188 HydrophobicContact CG-CB 4.44Å; Q154-Q188 HydrophobicContact CG-CG 4.1Å; Q154-Q188 PolarHBondContact O-NE2 3.08Å; Q154-Q190 VanDerWaalsContact O-CG 3.32Å; Q154-Q190 WeakPolarHBondContact O-CG 3.2Å; Q154-Q190 PolarHBondContact O-OE1 2.98Å
155Y95.1Very high96.3Very high85 Ų8526.3 Ų26.333%0.33314%0.135SC..EExtended strand (participates in β ladder)trans-120.7161.3-175.7-59.8-61.6000112.4Y153 R159 S191Y153-Y155 VanDerWaalsContact C-N 3.29Å; Y153-Y155 PolarHBondContact O-N 3.28Å; Y155-R159 PolarHBondContact N-O 2.99Å; Y155-S191 PolarHBondContact O-OG 2.98Å
156P95.7Very high96.2Very high40 Ų4026.2 Ų26.226%0.2614%0.135SC..THydrogen-bonded Turntrans-59.9152.1171.9-22.133.6000112.3P128 R159 Q190P128-P156 CarbonylContact O-C 3.55Å; P128-P156 WeakPolarHBondContact O-CA 3.47Å; P156-R159 PolarHBondContact O-NE 3.43Å; P156-R159 PolarHBondContact O-NH2 2.75Å; P156-Q190 HydrophobicContact CG-CB 3.97Å
157G95.8Very high96.2Very high39 Ų3928 Ų2840%0.40213%0.131SC..THydrogen-bonded Turntrans73.728.3179.900000113.6P128 R159P128-G157 PolarHBondContact O-N 2.73Å; G157-R159 WeakPolarHBondContact O-CG 3.47Å
158Y95Very high96Very high74 Ų7431.5 Ų31.529%0.2915%0.149SC..THydrogen-bonded Turntrans62.848.6176.7-42.4-53.2000113.5P128 Y153 S191 R193P128-Y158 HydrophobicContact CB-CE1 4.35Å; P128-Y158 HydrophobicContact CB-CE2 4.18Å; P128-Y158 WeakPolarHBondContact CD-OH 3.33Å; Y153-Y158 WeakPolarHBondContact CD1-O 3.39Å; Y153-Y158 AromaticContact CD2-CD1 3.72Å; Y153-Y158 HydrophobicContact CD2-CD1 3.72Å; Y153-Y158 HydrophobicContact CD2-CG 4.24Å; Y153-Y158 AromaticContact CE2-CD1 3.72Å; Y153-Y158 HydrophobicContact CE2-CD1 3.72Å; Y153-Y158 HydrophobicContact CE2-CG 4.02Å; Y158-S191 WeakPolarHBondContact CA-OG 3.3Å; Y158-S191 PolarHBondContact N-OG 3.16Å; Y158-R193 HydrophobicContact CD1-CB 4.39Å; Y158-R193 HydrophobicContact CD1-CG 4.41Å; Y158-R193 HydrophobicContact CE1-CB 3.81Å; Y158-R193 HydrophobicContact CE1-CG 4.3Å
159R93.4Very high95.8Very high120 Ų12035.1 Ų35.145%0.45316%0.16SC..EExtended strand (participates in β ladder)trans-123.9162.2-174.1-55.1-175.4-72.1159.3-0.9112.9Q154 Y155 P156 G157Q154-R159 PolarHBondContact N-O 3.27Å; Y155-R159 PolarHBondContact N-O 2.99Å; P156-R159 PolarHBondContact O-NE 3.43Å; P156-R159 PolarHBondContact O-NH2 2.75Å; G157-R159 WeakPolarHBondContact O-CG 3.47Å
160G92.6Very high95.3Very high1 Ų140.5 Ų40.51%0.0119%0.185CC..EExtended strand (participates in β ladder)trans82-151.2-177.900000112.1
161Y93.5Very high95.1Very high50 Ų5044.7 Ų44.720%0.19621%0.214CC..EExtended strand (participates in β ladder)trans-64.7136.6176.1-67.4-56.9000111.5Q66 H87 Y153 Q154 Y163Q66-Y161 HydrophobicContact CG-CD1 4.24Å; H87-Y161 HydrophobicContact CB-CD1 4.02Å; H87-Y161 HydrophobicContact CB-CE1 3.54Å; H87-Y161 AromaticContact CE1-CE1 3.87Å; H87-Y161 PolarHBondContact CE1-OH 3.21Å; H87-Y161 AromaticContact CG-CE1 3.36Å; H87-Y161 AromaticContact ND1-CE1 3.21Å; H87-Y161 WeakPolarHBondContact ND1-CE1 3.42Å; H87-Y161 AromaticContact ND1-CZ 3.44Å; H87-Y161 PolarHBondContact ND1-OH 2.86Å; Y153-Y161 VanDerWaalsContact CA-O 3.31Å; Y153-Y161 WeakPolarHBondContact CA-O 3.26Å; Q154-Y161 PolarHBondContact N-O 3.21Å; Q154-Y161 VanDerWaalsContact OE1-CD2 3.29Å; Y161-Y163 WeakPolarHBondContact CB-OH 3.31Å
162Q95.1Very high95.1Very high13 Ų1344.7 Ų44.76%0.06122%0.215CC..EExtended strand (participates in β ladder)trans-98.7145.3172.5-37.9-173.614.100110.8Q66 V151 A152 Y153 Q183Q66-Q162 PolarHBondContact NE2-O 3.43Å; Q66-Q162 VanDerWaalsContact NE2-O 3.08Å; V151-Q162 HydrophobicContact CG2-CB 3.96Å; A152-Q162 CarbonylContact O-C 3.3Å; A152-Q162 WeakPolarHBondContact O-CA 3.32Å; Y153-Q162 HydrophobicContact CD1-CB 4.33Å; Y153-Q162 HydrophobicContact CD1-CG 3.86Å; Y153-Q162 HydrophobicContact CE1-CB 4.18Å; Y153-Q162 HydrophobicContact CE1-CG 3.57Å; Q162-Q183 PolarHBondContact O-NE2 3.31Å
163Y96.6Very high95.1Very high3 Ų347.4 Ų47.41%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-133.1117.2175.1-53.1-85000108.8V151 A152 Y161 F180 Q183 A184 L189V151-Y163 WeakPolarHBondContact CA-O 3.36Å; A152-Y163 PolarHBondContact N-O 2.96Å; A152-Y163 PolarHBondContact O-N 3Å; Y161-Y163 WeakPolarHBondContact CB-OH 3.31Å; Y163-F180 HydrophobicContact CD1-CB 3.81Å; Y163-F180 HydrophobicContact CG-CB 4.14Å; Y163-Q183 HydrophobicContact CE1-CG 4.4Å; Y163-A184 HydrophobicContact CD1-CB 4.35Å; Y163-A184 HydrophobicContact CE1-CB 3.74Å; Y163-L189 HydrophobicContact CD2-CD2 3.44Å; Y163-L189 VanDerWaalsContact CD2-CD2 3.44Å; Y163-L189 HydrophobicContact CE2-CD2 3.68Å; Y163-L189 HydrophobicContact CG-CD2 4.41Å
164V97.3Very high95.2Very high4 Ų447.1 Ų47.12%0.02423%0.226CC..EExtended strand (participates in β ladder)trans-90.1121.1179.9-179.30000109V56 Q67 I69 V98 E166V56-V164 HydrophobicContact CB-CG2 4.19Å; V56-V164 HydrophobicContact CG2-CB 4.32Å; V56-V164 HydrophobicContact CG2-CG2 3.71Å; Q67-V164 HydrophobicContact CB-CG2 4.49Å; I69-V164 HydrophobicContact CB-CG2 4.31Å; I69-V164 HydrophobicContact CD1-CG1 4.22Å; I69-V164 HydrophobicContact CD1-CG2 4.03Å; V98-V164 HydrophobicContact CG2-CG1 4.32Å; V164-E166 HydrophobicContact CG1-CG 4.2Å
165L97.9Very high95.4Very high0 Ų051 Ų510%024%0.24CC..EExtended strand (participates in β ladder)trans-119.1119.8-171.5-52.9166.8000108.4L143 V145 A149 W150 A152 F174 F180 I192L143-L165 HydrophobicContact CD1-CB 4.31Å; L143-L165 HydrophobicContact CD1-CD1 3.84Å; L143-L165 HydrophobicContact CD1-CD2 4.16Å; L143-L165 HydrophobicContact CD1-CG 4.32Å; L143-L165 HydrophobicContact CD2-CD1 3.39Å; L143-L165 HydrophobicContact CD2-CD2 4.12Å; L143-L165 HydrophobicContact CD2-CG 4.35Å; L143-L165 HydrophobicContact CG-CD1 4.27Å; V145-L165 HydrophobicContact CG2-CB 3.79Å; A149-L165 WeakPolarHBondContact CA-O 3.27Å; W150-L165 HydrophobicContact CB-CB 4.35Å; W150-L165 PolarHBondContact N-O 3.34Å; W150-L165 PolarHBondContact O-N 3.02Å; A152-L165 HydrophobicContact CB-CD1 3.87Å; L165-F174 HydrophobicContact CB-CE2 4.32Å; L165-F174 HydrophobicContact CB-CZ 4.42Å; L165-F174 HydrophobicContact CD2-CD1 4.22Å; L165-F174 HydrophobicContact CD2-CE1 4.08Å; L165-F174 HydrophobicContact CD2-CE2 4.38Å; L165-F174 HydrophobicContact CD2-CG 4.43Å; L165-F174 HydrophobicContact CD2-CZ 4.16Å; L165-F180 HydrophobicContact CD2-CB 4.32Å; L165-F180 HydrophobicContact CD2-CD1 4.05Å; L165-F180 HydrophobicContact CD2-CG 4.33Å; L165-I192 HydrophobicContact CD1-CD1 4.33Å
166E97.4Very high95.4Very high2 Ų248.4 Ų48.41%0.00923%0.233CC..EExtended strand (participates in β ladder)trans-126.2145.6-168.3-77.1166.5-71.800112.1R96 V98 A149 V164 D168 R169R96-E166 IonicContact CZ-OE1 2.59Å; R96-E166 IonicContact CZ-OE2 3.9Å; R96-E166 IonicContact NH1-OE1 2.73Å; R96-E166 PolarHBondContact NH1-OE1 3.34Å; R96-E166 IonicContact NH1-OE2 3.04Å; R96-E166 PolarHBondContact NH1-OE2 3.18Å; R96-E166 IonicContact NH2-OE1 3.63Å; R96-E166 PolarHBondContact NH2-OE1 2.91Å; R96-E166 IonicContact NH2-OE2 2.78Å; V98-E166 HydrophobicContact CG1-CG 3.98Å; V98-E166 WeakPolarHBondContact CG1-OE2 3.42Å; A149-E166 HydrophobicContact CB-CG 4.03Å; V164-E166 HydrophobicContact CG1-CG 4.2Å; E166-D168 WeakPolarHBondContact CB-OD1 3.48Å; E166-R169 HydrophobicContact CB-CB 4.04Å; E166-R169 PolarHBondContact O-N 2.81Å
167R97.4Very high95.4Very high105 Ų10550.8 Ų50.840%0.39624%0.238SC..SBendtrans-66.2-36.5176.2175.456.4-176.787.4-5.3113.3C100 V145 S146 G148 R169 S171 G172C100-R167 HydrophobicContact CB-CB 4.43Å; V145-R167 HydrophobicContact CG1-CB 4.02Å; V145-R167 WeakPolarHBondContact O-CD 3.39Å; S146-R167 WeakPolarHBondContact O-CD 3.42Å; S146-R167 PolarHBondContact O-NE 3.33Å; G148-R167 WeakPolarHBondContact O-CB 3.34Å; G148-R167 PolarHBondContact O-N 2.95Å; R167-R169 VanDerWaalsContact C-N 3.3Å; R167-S171 PolarHBondContact NH1-O 2.89Å; R167-S171 VanDerWaalsContact NH1-O 3.14Å; R167-S171 CarbonylContact O-C 3.58Å; R167-S171 VanDerWaalsContact O-C 3.3Å; R167-G172 PolarHBondContact O-N 3.24Å
168D94.4Very high95.3Very high87 Ų8752.2 Ų52.247%0.46524%0.241SC..SBendtrans-81.9-9.9-176.5566.5000113C100 E166C100-D168 HydrophobicContact CB-CB 4.32Å; C100-D168 VanDerWaalsContact SG-CG 3.56Å; C100-D168 PolarHBondContact SG-OD1 3.36Å; E166-D168 WeakPolarHBondContact CB-OD1 3.48Å
169R91Very high95.3Very high84 Ų8451.9 Ų51.932%0.31724%0.242SC..SBendtrans-100.2132.4176.8-132.5173.3-171.9-171.5-1.2110.9R96 E166 R167 S171 G172R96-R169 VanDerWaalsContact NE-NH1 3.15Å; E166-R169 HydrophobicContact CB-CB 4.04Å; E166-R169 PolarHBondContact O-N 2.81Å; R167-R169 VanDerWaalsContact C-N 3.3Å; R169-S171 PolarHBondContact O-N 3.4Å; R169-G172 WeakPolarHBondContact O-CA 3.21Å; R169-G172 PolarHBondContact O-N 3.48Å
170H88.7Confident95.4Very high113 Ų11346.3 Ų46.352%0.52322%0.221SC..G310 helixtrans52.126.6-173.9-56.8-83.5000113.8G172 E173H170-G172 PolarHBondContact O-N 2.95Å; H170-E173 VanDerWaalsContact CB-O 3.3Å; H170-E173 WeakPolarHBondContact CB-O 3.47Å; H170-E173 PolarHBondContact O-N 3.31Å
171S94.3Very high95.4Very high87 Ų8746.9 Ų46.961%0.60823%0.227SC*.G310 helixtrans55.825.5-170.1-53.20000114.2R167 R169 E173R167-S171 PolarHBondContact NH1-O 2.89Å; R167-S171 VanDerWaalsContact NH1-O 3.14Å; R167-S171 CarbonylContact O-C 3.58Å; R167-S171 VanDerWaalsContact O-C 3.3Å; R169-S171 PolarHBondContact O-N 3.4Å; S171-E173 VanDerWaalsContact C-N 3.25Å; S171-E173 PolarHBondContact O-N 3.29Å
172G97.2Very high95.4Very high1 Ų148.7 Ų48.71%0.0124%0.243CC..G310 helixtrans77.45-175.800000113.9K144 V145 R167 R169 H170K144-G172 CarbonylContact C-O 3.58Å; K144-G172 VanDerWaalsContact CA-O 3.24Å; K144-G172 WeakPolarHBondContact CA-O 3.39Å; V145-G172 PolarHBondContact N-O 3.46Å; V145-G172 WeakPolarHBondContact O-CA 3.47Å; R167-G172 PolarHBondContact O-N 3.24Å; R169-G172 WeakPolarHBondContact O-CA 3.21Å; R169-G172 PolarHBondContact O-N 3.48Å; H170-G172 PolarHBondContact O-N 2.95Å
173E98.2Very high95.2Very high57 Ų5748.8 Ų48.827%0.26624%0.244SC..EExtended strand (participates in β ladder)trans-103.1115.1-176.1-67.9-157.1154.100111.1F116 K144 H170 S171 R175F116-E173 HydrophobicContact CE2-CB 4.45Å; F116-E173 HydrophobicContact CZ-CB 3.81Å; F116-E173 HydrophobicContact CZ-CG 4.23Å; K144-E173 WeakPolarHBondContact CE-OE1 3.16Å; K144-E173 HydrophobicContact CG-CG 4.44Å; K144-E173 IonicContact NZ-OE1 2.75Å; K144-E173 PolarHBondContact NZ-OE1 3.12Å; H170-E173 VanDerWaalsContact CB-O 3.3Å; H170-E173 WeakPolarHBondContact CB-O 3.47Å; H170-E173 PolarHBondContact O-N 3.31Å; S171-E173 VanDerWaalsContact C-N 3.25Å; S171-E173 PolarHBondContact O-N 3.29Å; E173-R175 IonicContact OE2-CZ 3.5Å; E173-R175 IonicContact OE2-NH2 3.72Å; E173-R175 PolarHBondContact OE2-NH2 3.1Å
174F97.9Very high94.9Very high5 Ų549.2 Ų49.22%0.02225%0.248CC..EExtended strand (participates in β ladder)trans-117.198.5177-61.1-98.1000108.6S142 L143 V145 L165 E179 F180S142-F174 WeakPolarHBondContact CA-O 3.38Å; S142-F174 WeakPolarHBondContact CB-O 3.49Å; L143-F174 HydrophobicContact CD1-CB 4.03Å; L143-F174 HydrophobicContact CD1-CD2 3.43Å; L143-F174 VanDerWaalsContact CD1-CD2 3.43Å; L143-F174 HydrophobicContact CD1-CE2 4.15Å; L143-F174 HydrophobicContact CD1-CG 3.95Å; L143-F174 HydrophobicContact CG-CB 4.03Å; L143-F174 HydrophobicContact CG-CD2 4.35Å; L143-F174 HydrophobicContact CG-CG 4.43Å; L143-F174 PolarHBondContact N-O 3.26Å; L143-F174 PolarHBondContact O-N 3.44Å; V145-F174 HydrophobicContact CG2-CD2 4.49Å; V145-F174 HydrophobicContact CG2-CE2 4.04Å; L165-F174 HydrophobicContact CB-CE2 4.32Å; L165-F174 HydrophobicContact CB-CZ 4.42Å; L165-F174 HydrophobicContact CD2-CD1 4.22Å; L165-F174 HydrophobicContact CD2-CE1 4.08Å; L165-F174 HydrophobicContact CD2-CE2 4.38Å; L165-F174 HydrophobicContact CD2-CG 4.43Å; L165-F174 HydrophobicContact CD2-CZ 4.16Å; F174-E179 VanDerWaalsContact CA-OE2 3.27Å; F174-E179 WeakPolarHBondContact CA-OE2 3.5Å; F174-E179 HydrophobicContact CB-CB 4.41Å; F174-E179 HydrophobicContact CD1-CB 4.07Å; F174-E179 WeakPolarHBondContact CD1-O 3.38Å; F174-F180 HydrophobicContact CB-CD1 3.9Å; F174-F180 HydrophobicContact CB-CE1 3.74Å; F174-F180 HydrophobicContact CD1-CD1 4.16Å; F174-F180 HydrophobicContact CG-CD1 4.28Å
175R97.9Very high94.5Very high102 Ų10256 Ų5639%0.38528%0.279SS..  trans-78.2-22.8-167.8-65.3179.7-175.1-75.4-13.4113.8D114 N115 F116 S142 E173 E179D114-R175 CarbonylContact C-O 3.58Å; D114-R175 WeakPolarHBondContact CA-O 3.43Å; N115-R175 PolarHBondContact N-O 2.87Å; F116-R175 HydrophobicContact CE1-CG 4.46Å; F116-R175 HydrophobicContact CE2-CG 3.87Å; F116-R175 HydrophobicContact CZ-CB 4.39Å; F116-R175 HydrophobicContact CZ-CG 3.59Å; S142-R175 VanDerWaalsContact CB-O 3.29Å; S142-R175 WeakPolarHBondContact CB-O 3.38Å; E173-R175 IonicContact OE2-CZ 3.5Å; E173-R175 IonicContact OE2-NH2 3.72Å; E173-R175 PolarHBondContact OE2-NH2 3.1Å; R175-E179 PolarHBondContact N-OE2 2.95Å
176T97.1Very high94.4Very high30 Ų3058.8 Ų58.818%0.18430%0.296CS..SBendtrans-145.7160.3178.264.20000109.4D114 G141 S178 E179D114-T176 HydrophobicContact CB-CG2 4.2Å; G141-T176 CarbonylContact O-C 3.57Å; G141-T176 WeakPolarHBondContact O-CA 3.47Å; T176-S178 PolarHBondContact O-N 2.9Å; T176-S178 VanDerWaalsContact O-N 3.16Å; T176-S178 PolarHBondContact OG1-OG 3.01Å; T176-E179 WeakPolarHBondContact O-CB 3.32Å; T176-E179 PolarHBondContact O-N 3.01Å
177Y93.8Very high94.2Very high90 Ų9059 Ų5935%0.35330%0.299SS..G310 helixtrans-59.1-28.2178.766.4-96.3000114G141 E179 F180 A184 G187G141-Y177 PolarHBondContact O-N 2.91Å; Y177-E179 PolarHBondContact O-N 3Å; Y177-F180 VanDerWaalsContact O-CB 3.3Å; Y177-F180 WeakPolarHBondContact O-CB 3.49Å; Y177-F180 WeakPolarHBondContact O-CD2 3.29Å; Y177-F180 VanDerWaalsContact O-CG 3.28Å; Y177-F180 WeakPolarHBondContact O-CG 3.32Å; Y177-F180 PolarHBondContact O-N 3.13Å; Y177-A184 WeakPolarHBondContact O-CB 3.29Å; Y177-G187 VanDerWaalsContact CB-CA 3.46Å
178S94.8Very high94.2Very high69 Ų6955.6 Ų55.648%0.48329%0.288SS..G310 helixtrans-64.8-19.5178.355.80000112.8T176 F180T176-S178 PolarHBondContact O-N 2.9Å; T176-S178 VanDerWaalsContact O-N 3.16Å; T176-S178 PolarHBondContact OG1-OG 3.01Å; S178-F180 VanDerWaalsContact C-N 3.33Å
179E95.9Very high94.3Very high66 Ų6651.7 Ų51.731%0.30827%0.267SS..G310 helixtrans-81.3-12.7176.5-62179-174.600112.4F174 R175 T176 Y177 G181F174-E179 VanDerWaalsContact CA-OE2 3.27Å; F174-E179 WeakPolarHBondContact CA-OE2 3.5Å; F174-E179 HydrophobicContact CB-CB 4.41Å; F174-E179 HydrophobicContact CD1-CB 4.07Å; F174-E179 WeakPolarHBondContact CD1-O 3.38Å; R175-E179 PolarHBondContact N-OE2 2.95Å; T176-E179 WeakPolarHBondContact O-CB 3.32Å; T176-E179 PolarHBondContact O-N 3.01Å; Y177-E179 PolarHBondContact O-N 3Å; E179-G181 PolarHBondContact O-N 2.9Å
180F94.6Very high94.6Very high4 Ų448.8 Ų48.82%0.01826%0.257CS..G310 helixtrans-69.3-22.6178.7-56.5-15.6000112.7Q67 V140 L143 Y163 L165 F174 Y177 S178 A184 L189Q67-F180 PolarHBondContact NE2-O 3.38Å; V140-F180 HydrophobicContact CG1-CZ 4.46Å; L143-F180 HydrophobicContact CD2-CD1 4.09Å; L143-F180 HydrophobicContact CD2-CE1 3.48Å; L143-F180 VanDerWaalsContact CD2-CE1 3.48Å; L143-F180 HydrophobicContact CD2-CE2 4.37Å; L143-F180 HydrophobicContact CD2-CZ 3.65Å; L143-F180 HydrophobicContact CG-CD1 4.49Å; L143-F180 HydrophobicContact CG-CE1 3.74Å; L143-F180 HydrophobicContact CG-CZ 4.21Å; Y163-F180 HydrophobicContact CD1-CB 3.81Å; Y163-F180 HydrophobicContact CG-CB 4.14Å; L165-F180 HydrophobicContact CD2-CB 4.32Å; L165-F180 HydrophobicContact CD2-CD1 4.05Å; L165-F180 HydrophobicContact CD2-CG 4.33Å; F174-F180 HydrophobicContact CB-CD1 3.9Å; F174-F180 HydrophobicContact CB-CE1 3.74Å; F174-F180 HydrophobicContact CD1-CD1 4.16Å; F174-F180 HydrophobicContact CG-CD1 4.28Å; Y177-F180 VanDerWaalsContact O-CB 3.3Å; Y177-F180 WeakPolarHBondContact O-CB 3.49Å; Y177-F180 WeakPolarHBondContact O-CD2 3.29Å; Y177-F180 VanDerWaalsContact O-CG 3.28Å; Y177-F180 WeakPolarHBondContact O-CG 3.32Å; Y177-F180 PolarHBondContact O-N 3.13Å; S178-F180 VanDerWaalsContact C-N 3.33Å; F180-A184 HydrophobicContact CB-CB 4.31Å; F180-L189 HydrophobicContact CD2-CD1 3.99Å; F180-L189 HydrophobicContact CE2-CD1 3.6Å; F180-L189 HydrophobicContact CE2-CG 4.31Å; F180-L189 HydrophobicContact CZ-CD1 4.31Å
181G92.6Very high95Very high13 Ų1343.4 Ų43.413%0.13423%0.232CC..  trans166.2157.7-179.400000112Q67 E179 Q183 A184Q67-G181 VanDerWaalsContact NE2-CA 3.32Å; E179-G181 PolarHBondContact O-N 2.9Å; G181-Q183 VanDerWaalsContact C-OE1 3.32Å; G181-Q183 PolarHBondContact O-N 2.86Å; G181-Q183 VanDerWaalsContact O-N 3.16Å; G181-A184 WeakPolarHBondContact O-CB 3.28Å; G181-A184 PolarHBondContact O-N 3.25Å
182T93Very high95.2Very high87 Ų8739.4 Ų39.453%0.53420%0.204SC..THydrogen-bonded Turntrans-70.5-14.7-176.7660000113.1Q64 G65Q64-T182 PolarHBondContact OE1-OG1 3.3Å; G65-T182 PolarHBondContact N-OG1 2.72Å; G65-T182 VanDerWaalsContact N-OG1 3.08Å
183Q90.3Very high95.3Very high16 Ų1640.8 Ų40.88%0.07521%0.209CC..THydrogen-bonded Turntrans-92.42.3171.982.7-68.8300114.4G65 Q66 Q162 Y163 G181 H185G65-Q183 VanDerWaalsContact O-CD 3.29Å; G65-Q183 PolarHBondContact O-OE1 2.67Å; Q66-Q183 VanDerWaalsContact OE1-CG 3.32Å; Q162-Q183 PolarHBondContact O-NE2 3.31Å; Y163-Q183 HydrophobicContact CE1-CG 4.4Å; G181-Q183 VanDerWaalsContact C-OE1 3.32Å; G181-Q183 PolarHBondContact O-N 2.86Å; G181-Q183 VanDerWaalsContact O-N 3.16Å; Q183-H185 PolarHBondContact O-CE1 2.88Å; Q183-H185 VanDerWaalsContact O-CE1 3.3Å; Q183-H185 PolarHBondContact O-N 2.84Å; Q183-H185 VanDerWaalsContact O-N 3.14Å; Q183-H185 PolarHBondContact O-ND1 3.14Å
184A91.9Very high95.3Very high12 Ų1239.7 Ų39.710%0.09920%0.202CC..  trans-77.798.1-178.600000111.1Y163 Y177 F180 G181Y163-A184 HydrophobicContact CD1-CB 4.35Å; Y163-A184 HydrophobicContact CE1-CB 3.74Å; Y177-A184 WeakPolarHBondContact O-CB 3.29Å; F180-A184 HydrophobicContact CB-CB 4.31Å; G181-A184 WeakPolarHBondContact O-CB 3.28Å; G181-A184 PolarHBondContact O-N 3.25Å
185H89.2Confident95.2Very high145 Ų14539.5 Ų39.567%0.67120%0.201SC*.  trans-90.1-16.1177.9-56.592.4000113.3Q183Q183-H185 PolarHBondContact O-CE1 2.88Å; Q183-H185 VanDerWaalsContact O-CE1 3.3Å; Q183-H185 PolarHBondContact O-N 2.84Å; Q183-H185 VanDerWaalsContact O-N 3.14Å; Q183-H185 PolarHBondContact O-ND1 3.14Å
186T94Very high94.9Very high59 Ų5939.7 Ų39.736%0.36221%0.207SC..SBendtrans-147.5156.3-175.961.90000110.2Q188T186-Q188 PolarHBondContact O-N 3.14Å
187G94.8Very high93.9Very high7 Ų744.3 Ų44.37%0.07223%0.226CC..  trans-754.4170.100000115.2D139 V140 Y177 L189D139-G187 CarbonylContact C-O 3.54Å; D139-G187 VanDerWaalsContact CA-O 3.3Å; D139-G187 WeakPolarHBondContact CA-O 3.27Å; V140-G187 PolarHBondContact N-O 3.05Å; Y177-G187 VanDerWaalsContact CB-CA 3.46Å; G187-L189 PolarHBondContact O-N 3.35Å
188Q96.3Very high93.9Very high34 Ų3442.1 Ų42.116%0.15922%0.22CC..BIsolated β-bridgetrans-62108.6-173.9-173.5-174.21.600111.7K138 D139 Q154 T186 Q190K138-Q188 HydrophobicContact CB-CG 4.47Å; K138-Q188 WeakPolarHBondContact O-CA 3.44Å; D139-Q188 VanDerWaalsContact OD1-CA 3.26Å; D139-Q188 WeakPolarHBondContact OD1-CA 3.3Å; D139-Q188 PolarHBondContact OD1-N 3.41Å; Q154-Q188 HydrophobicContact CG-CB 4.44Å; Q154-Q188 HydrophobicContact CG-CG 4.1Å; Q154-Q188 PolarHBondContact O-NE2 3.08Å; T186-Q188 PolarHBondContact O-N 3.14Å; Q188-Q190 HydrophobicContact CG-CG 4.41Å
189L96.9Very high93.9Very high5 Ų540.6 Ų40.63%0.02621%0.206CC..  trans-135.9125.2174.5-63.6-178.5000108.2L130 K138 V140 L143 A152 Y153 Y163 F180 G187L130-L189 WeakPolarHBondContact CD1-O 3.44Å; K138-L189 PolarHBondContact O-N 3.3Å; V140-L189 HydrophobicContact CB-CB 4.37Å; V140-L189 HydrophobicContact CB-CD1 4.08Å; V140-L189 HydrophobicContact CG2-CB 3.91Å; V140-L189 HydrophobicContact CG2-CD1 4.3Å; L143-L189 HydrophobicContact CD2-CD1 4.36Å; A152-L189 HydrophobicContact CB-CD1 3.83Å; A152-L189 HydrophobicContact CB-CD2 3.81Å; A152-L189 HydrophobicContact CB-CG 4.35Å; Y153-L189 WeakPolarHBondContact O-CA 3.17Å; Y163-L189 HydrophobicContact CD2-CD2 3.44Å; Y163-L189 VanDerWaalsContact CD2-CD2 3.44Å; Y163-L189 HydrophobicContact CE2-CD2 3.68Å; Y163-L189 HydrophobicContact CG-CD2 4.41Å; F180-L189 HydrophobicContact CD2-CD1 3.99Å; F180-L189 HydrophobicContact CE2-CD1 3.6Å; F180-L189 HydrophobicContact CE2-CG 4.31Å; F180-L189 HydrophobicContact CZ-CD1 4.31Å; G187-L189 PolarHBondContact O-N 3.35Å
190Q97.1Very high93.8Very high23 Ų2339.2 Ų39.211%0.10720%0.2CC..  trans-128.6-8.5-174.2-60.9-166.7-73.700114S129 L130 Y153 Q154 P156 Q188S129-Q190 WeakPolarHBondContact CA-O 3.39Å; L130-Q190 PolarHBondContact N-O 3.19Å; Y153-Q190 PolarHBondContact O-N 3.05Å; Q154-Q190 VanDerWaalsContact O-CG 3.32Å; Q154-Q190 WeakPolarHBondContact O-CG 3.2Å; Q154-Q190 PolarHBondContact O-OE1 2.98Å; P156-Q190 HydrophobicContact CG-CB 3.97Å; Q188-Q190 HydrophobicContact CG-CG 4.41Å
191S97.8Very high93.7Very high0 Ų041.3 Ų41.30%021%0.211CC..EExtended strand (participates in β ladder)trans-147.1154.5165.560.40000110.7Y127 P128 Y153 Y155 Y158Y127-S191 VanDerWaalsContact O-CA 3.28Å; Y127-S191 WeakPolarHBondContact O-CA 3.49Å; Y127-S191 VanDerWaalsContact O-CB 3.23Å; Y127-S191 WeakPolarHBondContact O-CB 3.49Å; P128-S191 WeakPolarHBondContact O-CB 3.33Å; Y153-S191 WeakPolarHBondContact CB-OG 3.46Å; Y153-S191 PolarHBondContact N-O 3.16Å; Y153-S191 PolarHBondContact O-N 3.04Å; Y155-S191 PolarHBondContact O-OG 2.98Å; Y158-S191 WeakPolarHBondContact CA-OG 3.3Å; Y158-S191 PolarHBondContact N-OG 3.16Å
192I98.3Very high93.8Very high2 Ų243.1 Ų43.11%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-150.5143.6-178.7-167.6174.7000109.1V108 L110 L123 Y127 L130 W150 V151 A152 L165V108-I192 HydrophobicContact CG1-CD1 4.05Å; L110-I192 HydrophobicContact CD2-CD1 4.29Å; L123-I192 HydrophobicContact CD1-CG2 3.63Å; Y127-I192 CarbonylContact C-O 3.6Å; Y127-I192 PolarHBondContact N-O 2.88Å; Y127-I192 PolarHBondContact O-N 2.92Å; L130-I192 HydrophobicContact CD2-CG2 3.87Å; W150-I192 HydrophobicContact CB-CD1 4.31Å; W150-I192 HydrophobicContact CB-CG1 4.43Å; W150-I192 HydrophobicContact CE3-CD1 4.05Å; W150-I192 HydrophobicContact CE3-CG1 3.88Å; V151-I192 WeakPolarHBondContact O-CA 3.49Å; A152-I192 HydrophobicContact CB-CB 4.33Å; A152-I192 HydrophobicContact CB-CD1 4.09Å; A152-I192 HydrophobicContact CB-CG1 3.91Å; L165-I192 HydrophobicContact CD1-CD1 4.33Å
193R98.1Very high93.9Very high31 Ų3140.1 Ų40.112%0.11719%0.194CC..EExtended strand (participates in β ladder)trans-141.6158175.468.8-177.9-17385.6-14.9111.1E71 D126 W150 V151 Y153 Y158E71-R193 IonicContact OE1-CZ 3.63Å; E71-R193 IonicContact OE1-NH1 3.81Å; E71-R193 PolarHBondContact OE1-NH1 3.37Å; E71-R193 IonicContact OE1-NH2 3.87Å; E71-R193 PolarHBondContact OE1-NH2 3.41Å; E71-R193 IonicContact OE2-CZ 3.74Å; E71-R193 IonicContact OE2-NH1 2.99Å; E71-R193 PolarHBondContact OE2-NH1 3.04Å; E71-R193 IonicContact OE2-NH2 3.01Å; E71-R193 PolarHBondContact OE2-NH2 3.48Å; D126-R193 HydrophobicContact CB-CB 3.88Å; D126-R193 WeakPolarHBondContact OD1-CA 3.26Å; W150-R193 WeakPolarHBondContact CA-O 3.33Å; W150-R193 VanDerWaalsContact CE3-C 3.45Å; V151-R193 HydrophobicContact CG1-CG 3.48Å; V151-R193 VanDerWaalsContact CG1-CG 3.48Å; V151-R193 PolarHBondContact N-O 2.8Å; V151-R193 PolarHBondContact O-N 3.09Å; Y153-R193 HydrophobicContact CE2-CG 4.09Å; Y153-R193 PolarHBondContact OH-NE 2.83Å; Y158-R193 HydrophobicContact CD1-CB 4.39Å; Y158-R193 HydrophobicContact CD1-CG 4.41Å; Y158-R193 HydrophobicContact CE1-CB 3.81Å; Y158-R193 HydrophobicContact CE1-CG 4.3Å
194R98.3Very high94.1Very high34 Ų3441.9 Ų41.913%0.12820%0.203CC..EExtended strand (participates in β ladder)trans-69.6144.9169.7-58.5167.9-67.2-169.13.9108.9H103 I124 D125 D126 W150H103-R194 PolarHBondContact CE1-NE 3.25Å; I124-R194 WeakPolarHBondContact O-CD 3.5Å; I124-R194 PolarHBondContact O-NH1 2.83Å; D125-R194 IonicContact OD1-CZ 2.83Å; D125-R194 IonicContact OD1-NH1 3.76Å; D125-R194 PolarHBondContact OD1-NH1 3.13Å; D125-R194 IonicContact OD1-NH2 3.43Å; D125-R194 PolarHBondContact OD1-NH2 2.99Å; D126-R194 WeakPolarHBondContact OD1-CB 3.45Å; D126-R194 WeakPolarHBondContact OD1-CG 3.3Å; D126-R194 IonicContact OD1-CZ 2.69Å; D126-R194 PolarHBondContact OD1-N 2.86Å; D126-R194 IonicContact OD1-NE 3.76Å; D126-R194 PolarHBondContact OD1-NE 3.24Å; D126-R194 IonicContact OD1-NH2 3.34Å; D126-R194 IonicContact OD2-CZ 3.87Å; D126-R194 IonicContact OD2-NE 2.79Å; D126-R194 IonicContact OD2-NH2 3.35Å; D126-R194 PolarHBondContact OD2-NH2 3.27Å; W150-R194 HydrophobicContact CD2-CG 4.19Å; W150-R194 HydrophobicContact CE3-CG 3.9Å; W150-R194 HydrophobicContact CH2-CG 3.48Å; W150-R194 VanDerWaalsContact CH2-CG 3.48Å; W150-R194 HydrophobicContact CZ2-CG 3.74Å; W150-R194 HydrophobicContact CZ3-CG 3.56Å
195V97.3Very high94.3Very high0 Ų044.2 Ų44.20%021%0.211CC..PPolyproline II helixtrans-77.3134.8171.6173.30000109.5V54 I69 A101 A149 V151V54-V195 HydrophobicContact CB-CG1 4.12Å; V54-V195 HydrophobicContact CG1-CG1 3.57Å; V54-V195 HydrophobicContact CG2-CG1 3.87Å; I69-V195 HydrophobicContact CD1-CG1 4.16Å; I69-V195 HydrophobicContact CD1-CG2 4Å; I69-V195 HydrophobicContact CG1-CG1 4.39Å; I69-V195 HydrophobicContact CG1-CG2 4.23Å; A101-V195 HydrophobicContact CB-CB 4.47Å; A101-V195 HydrophobicContact CB-CG1 3.9Å; A149-V195 HydrophobicContact CB-CB 4.05Å; A149-V195 HydrophobicContact CB-CG2 3.98Å; A149-V195 WeakPolarHBondContact O-CB 3.26Å; A149-V195 PolarHBondContact O-N 3.04Å; V151-V195 HydrophobicContact CG1-CG2 4.4Å
196Q91.1Very high94.7Very high107 Ų10735.8 Ų35.850%0.517%0.173SC..PPolyproline II helixtrans-93.5132.9176.1-58.2-178.316.100109.5V54 E71V54-Q196 WeakPolarHBondContact CG2-O 3.31Å; E71-Q196 WeakPolarHBondContact CG-O 3.43Å; E71-Q196 WeakPolarHBondContact OE1-CB 3.42Å; E71-Q196 PolarHBondContact OE1-N 2.94Å
197H76.6Confident94.8Very high127 Ų12733.6 Ų33.659%0.58816%0.155SC*.  trans-115.90-177.467.2-70.9000111.7V54 A101 H103V54-H197 HydrophobicContact CG2-CB 3.91Å; A101-H197 HydrophobicContact CB-CB 4.14Å; H103-H197 PolarHBondContact N-ND1 3.37Å

Retrieved 197 of 197 residues in 80.8 ms (Link to these results)

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