A0A087X4U6_POEFO Loading...

2-aminoethanethiol (cysteamine) dioxygenase a

AlphaFold DB , UniProt , Accession A0A087X4U6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 257 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
1M41.3Very low72.6Confident229 Ų229113.4 Ų113.4100%1.12857%0.57SS**  0106.60-66.2-73.4-172.800107.6R3M1-R3 PolarHBondContact O-N 3.35Å
2P45.5Very low74.8Confident120 Ų120111.9 Ų111.978%0.77956%0.557SS**  trans-68.9122.3168.613.2-0.2000107D4P2-D4 PolarHBondContact O-N 2.83Å; P2-D4 VanDerWaalsContact O-N 3.16Å
3R48.8Very low76.6Confident244 Ų244103.3 Ų103.392%0.92151%0.514SS*.  trans-68.2110.8167.4-72.1178.3-176.4169.91105.6M1 N5M1-R3 PolarHBondContact O-N 3.35Å; R3-N5 VanDerWaalsContact C-N 3.31Å; R3-N5 PolarHBondContact O-N 3.16Å
4D48Very low78.1Confident154 Ų15495.9 Ų95.982%0.82448%0.477SS*.  trans-55100.9166.3-82.8-28.5000107.6P2 K6P2-D4 PolarHBondContact O-N 2.83Å; P2-D4 VanDerWaalsContact O-N 3.16Å; D4-K6 PolarHBondContact O-N 2.81Å
5N55.4Low79.4Confident155 Ų15596.5 Ų96.583%0.82948%0.476SS*.  trans-77.164.1177.2-162.522.1000108.2R3 T7R3-N5 VanDerWaalsContact C-N 3.31Å; R3-N5 PolarHBondContact O-N 3.16Å; N5-T7 PolarHBondContact O-N 2.99Å
6K79.6Confident80.6Confident184 Ų18491.6 Ų91.680%0.845%0.451SS*.  trans-71.9103.4-177.9-162.9174.7-174.6175.80107.6D4 A8D4-K6 PolarHBondContact O-N 2.81Å; K6-A8 PolarHBondContact O-N 3.3Å
7T89.4Confident81.6Confident66 Ų6686.2 Ų86.241%0.40543%0.425SS..  trans-48.9126.1175.8-52.20000110.2N5 Q11 K12N5-T7 PolarHBondContact O-N 2.99Å; T7-Q11 HydrophobicContact CG2-CB 3.89Å; T7-Q11 HydrophobicContact CG2-CG 3.56Å; T7-K12 HydrophobicContact CG2-CG 3.96Å
8A96.5Very high82.4Confident32 Ų3283.5 Ų83.526%0.26441%0.41SS..  trans-56144.9178.400000111K6 I10 Q11 K12 P253K6-A8 PolarHBondContact O-N 3.3Å; A8-I10 VanDerWaalsContact C-N 3.29Å; A8-I10 HydrophobicContact CB-CG2 4.33Å; A8-I10 PolarHBondContact O-N 3.25Å; A8-Q11 HydrophobicContact CB-CB 4.39Å; A8-Q11 WeakPolarHBondContact O-CB 3.47Å; A8-Q11 PolarHBondContact O-N 3.45Å; A8-Q11 VanDerWaalsContact O-N 3.14Å; A8-K12 PolarHBondContact O-N 2.86Å; A8-P253 HydrophobicContact CB-CB 3.71Å; A8-P253 HydrophobicContact CB-CG 3.88Å
9L98Very high83.1Confident39 Ų3982.8 Ų82.820%0.20441%0.408CS..Hα-helixtrans-58.5-42.4-178.2177.458.4000111.8Q11 K12 I13 L45 V49L9-Q11 VanDerWaalsContact C-N 3.28Å; L9-Q11 PolarHBondContact O-N 2.69Å; L9-K12 WeakPolarHBondContact O-CA 3.42Å; L9-K12 WeakPolarHBondContact O-CB 3.36Å; L9-K12 PolarHBondContact O-N 2.74Å; L9-I13 HydrophobicContact CD1-CD1 4.37Å; L9-I13 HydrophobicContact CD1-CG1 4.37Å; L9-I13 HydrophobicContact CG-CD1 3.99Å; L9-I13 HydrophobicContact CG-CG1 4.46Å; L9-I13 WeakPolarHBondContact O-CG1 3.4Å; L9-I13 PolarHBondContact O-N 2.75Å; L9-L45 HydrophobicContact CD1-CD2 4Å; L9-V49 HydrophobicContact CD2-CB 4.12Å; L9-V49 HydrophobicContact CD2-CG2 4.24Å
10I98.3Very high83.7Confident1 Ų178.8 Ų78.81%0.00539%0.388CS..Hα-helixtrans-61.5-36.1178.8-165.359000112.9A8 K12 I13 A14 L54 I80 M88 L186 P253 V255A8-I10 VanDerWaalsContact C-N 3.29Å; A8-I10 HydrophobicContact CB-CG2 4.33Å; A8-I10 PolarHBondContact O-N 3.25Å; I10-K12 VanDerWaalsContact C-N 3.32Å; I10-K12 PolarHBondContact O-N 3.06Å; I10-I13 HydrophobicContact CD1-CD1 4.33Å; I10-I13 PolarHBondContact O-N 2.77Å; I10-A14 WeakPolarHBondContact O-CB 3.33Å; I10-A14 PolarHBondContact O-N 2.84Å; I10-L54 HydrophobicContact CB-CD2 3.86Å; I10-L54 HydrophobicContact CD1-CD2 3.65Å; I10-L54 HydrophobicContact CG1-CD2 3.54Å; I10-L54 HydrophobicContact CG2-CD2 4.42Å; I10-I80 HydrophobicContact CD1-CD1 4.3Å; I10-I80 HydrophobicContact CG1-CD1 4.35Å; I10-I80 HydrophobicContact CG1-CG2 4.31Å; I10-M88 HydrophobicContact CD1-SD 3.46Å; I10-M88 WeakPolarHBondContact CD1-SD 3.35Å; I10-M88 HydrophobicContact CG1-SD 4.16Å; I10-L186 HydrophobicContact CD1-CD1 4.15Å; I10-L186 HydrophobicContact CD1-CD2 4.26Å; I10-P253 HydrophobicContact CG2-CB 4.23Å; I10-P253 HydrophobicContact CG2-CG 4.35Å; I10-V255 HydrophobicContact CB-CG2 4.47Å; I10-V255 HydrophobicContact CG1-CG2 4.04Å; I10-V255 HydrophobicContact CG2-CG2 3.86Å
11Q98.3Very high84.2Confident23 Ų2375.5 Ų75.511%0.10737%0.372CS..Hα-helixtrans-66.2-34.4173.9175.864.381.200112T7 A8 L9 K15 S256T7-Q11 HydrophobicContact CG2-CB 3.89Å; T7-Q11 HydrophobicContact CG2-CG 3.56Å; A8-Q11 HydrophobicContact CB-CB 4.39Å; A8-Q11 WeakPolarHBondContact O-CB 3.47Å; A8-Q11 PolarHBondContact O-N 3.45Å; A8-Q11 VanDerWaalsContact O-N 3.14Å; L9-Q11 VanDerWaalsContact C-N 3.28Å; L9-Q11 PolarHBondContact O-N 2.69Å; Q11-K15 WeakPolarHBondContact O-CG 3.44Å; Q11-K15 PolarHBondContact O-N 2.93Å; Q11-S256 PolarHBondContact NE2-O 3.41Å; Q11-S256 PolarHBondContact OE1-O 3.34Å
12K98.2Very high86.5Confident96 Ų9669.3 Ų69.342%0.41734%0.339SS..Hα-helixtrans-69.9-44.6174-62.6-177.2-179.5-171.90111.4T7 A8 L9 I10 A14 K15 Q16T7-K12 HydrophobicContact CG2-CG 3.96Å; A8-K12 PolarHBondContact O-N 2.86Å; L9-K12 WeakPolarHBondContact O-CA 3.42Å; L9-K12 WeakPolarHBondContact O-CB 3.36Å; L9-K12 PolarHBondContact O-N 2.74Å; I10-K12 VanDerWaalsContact C-N 3.32Å; I10-K12 PolarHBondContact O-N 3.06Å; K12-A14 VanDerWaalsContact C-N 3.31Å; K12-A14 PolarHBondContact O-N 3.19Å; K12-K15 PolarHBondContact O-N 3.14Å; K12-Q16 WeakPolarHBondContact O-CB 3.31Å; K12-Q16 PolarHBondContact O-N 2.78Å
13I98.5Very high87.8Confident0 Ų066.2 Ų66.20%032%0.315CS..Hα-helixtrans-56.2-48.9176.1-68.7166000109.8L9 I10 K15 Q16 A17 L42 L45 V46 V49 M88 I188L9-I13 HydrophobicContact CD1-CD1 4.37Å; L9-I13 HydrophobicContact CD1-CG1 4.37Å; L9-I13 HydrophobicContact CG-CD1 3.99Å; L9-I13 HydrophobicContact CG-CG1 4.46Å; L9-I13 WeakPolarHBondContact O-CG1 3.4Å; L9-I13 PolarHBondContact O-N 2.75Å; I10-I13 HydrophobicContact CD1-CD1 4.33Å; I10-I13 PolarHBondContact O-N 2.77Å; I13-K15 PolarHBondContact O-N 3.13Å; I13-Q16 PolarHBondContact O-N 2.98Å; I13-A17 WeakPolarHBondContact O-CB 3.15Å; I13-A17 PolarHBondContact O-N 3.01Å; I13-L42 HydrophobicContact CG2-CD1 4.18Å; I13-L45 HydrophobicContact CG1-CB 3.76Å; I13-V46 HydrophobicContact CG2-CG2 3.79Å; I13-V49 HydrophobicContact CD1-CB 3.8Å; I13-V49 HydrophobicContact CD1-CG1 4.39Å; I13-V49 HydrophobicContact CD1-CG2 3.99Å; I13-M88 HydrophobicContact CG2-CE 4.02Å; I13-I188 HydrophobicContact CG2-CD1 3.64Å
14A98.4Very high88.6Confident0 Ų057.3 Ų57.30%029%0.29CS..Hα-helixtrans-64-42.6-178.300000112.7I10 K12 Q16 A17 F18 F86 M88 V255 I257I10-A14 WeakPolarHBondContact O-CB 3.33Å; I10-A14 PolarHBondContact O-N 2.84Å; K12-A14 VanDerWaalsContact C-N 3.31Å; K12-A14 PolarHBondContact O-N 3.19Å; A14-Q16 PolarHBondContact O-N 2.91Å; A14-A17 PolarHBondContact O-N 2.84Å; A14-F18 PolarHBondContact O-N 3.2Å; A14-F86 HydrophobicContact CB-CZ 4.17Å; A14-F86 WeakPolarHBondContact O-CZ 3.45Å; A14-M88 VanDerWaalsContact CA-CE 3.46Å; A14-M88 HydrophobicContact CB-CE 3.52Å; A14-M88 HydrophobicContact CB-SD 4.47Å; A14-V255 HydrophobicContact CB-CG1 3.44Å; A14-V255 VanDerWaalsContact CB-CG1 3.44Å; A14-I257 VanDerWaalsContact C-CD1 3.45Å; A14-I257 HydrophobicContact CB-CD1 3.33Å; A14-I257 HydrophobicContact CB-CG1 4.37Å
15K97.6Very high89.1Confident104 Ų10457.5 Ų57.545%0.45228%0.279SS..Hα-helixtrans-62.4-42.9174.2-76.4-179.3175.5-169.90112.2Q11 K12 I13 F18 I19 I257Q11-K15 WeakPolarHBondContact O-CG 3.44Å; Q11-K15 PolarHBondContact O-N 2.93Å; K12-K15 PolarHBondContact O-N 3.14Å; I13-K15 PolarHBondContact O-N 3.13Å; K15-F18 PolarHBondContact O-N 3.31Å; K15-I19 WeakPolarHBondContact O-CG1 3.43Å; K15-I19 PolarHBondContact O-N 3.13Å; K15-I19 VanDerWaalsContact O-N 3.08Å; K15-I257 HydrophobicContact CG-CD1 4.37Å
16Q97.6Very high89Confident18 Ų1854.5 Ų54.58%0.08427%0.27CS..Hα-helixtrans-65.7-41.2177.3-169.866.91700111.2K12 I13 A14 F18 I19 T20 K38 E41 L42 L45K12-Q16 WeakPolarHBondContact O-CB 3.31Å; K12-Q16 PolarHBondContact O-N 2.78Å; I13-Q16 PolarHBondContact O-N 2.98Å; A14-Q16 PolarHBondContact O-N 2.91Å; Q16-F18 VanDerWaalsContact C-N 3.33Å; Q16-F18 PolarHBondContact O-N 3.32Å; Q16-I19 PolarHBondContact O-N 2.95Å; Q16-T20 WeakPolarHBondContact O-CB 3.42Å; Q16-T20 PolarHBondContact O-N 3.13Å; Q16-T20 PolarHBondContact O-OG1 3.32Å; Q16-K38 PolarHBondContact NE2-O 3.44Å; Q16-E41 HydrophobicContact CG-CG 4.23Å; Q16-E41 PolarHBondContact NE2-OE2 3.35Å; Q16-E41 PolarHBondContact OE1-OE2 3.1Å; Q16-L42 HydrophobicContact CB-CD1 4.12Å; Q16-L42 HydrophobicContact CG-CB 3.91Å; Q16-L42 HydrophobicContact CG-CD1 4.19Å; Q16-L45 HydrophobicContact CB-CD1 3.81Å; Q16-L45 HydrophobicContact CG-CD1 4.05Å
17A97.6Very high87.7Confident0 Ų048.6 Ų48.60%026%0.256CS..Hα-helixtrans-58.2-45.7175.500000111.4I13 A14 I19 T20 F21 L42 F86 I188I13-A17 WeakPolarHBondContact O-CB 3.15Å; I13-A17 PolarHBondContact O-N 3.01Å; A14-A17 PolarHBondContact O-N 2.84Å; A17-I19 PolarHBondContact O-N 3.14Å; A17-T20 PolarHBondContact O-N 2.9Å; A17-F21 HydrophobicContact CB-CD2 4.34Å; A17-F21 HydrophobicContact CB-CE2 4.45Å; A17-F21 WeakPolarHBondContact O-CD2 3.36Å; A17-F21 PolarHBondContact O-N 3.24Å; A17-L42 HydrophobicContact CB-CD1 4.08Å; A17-L42 HydrophobicContact CB-CD2 4.2Å; A17-F86 HydrophobicContact CB-CD1 4.33Å; A17-F86 HydrophobicContact CB-CD2 4.12Å; A17-F86 HydrophobicContact CB-CE1 4.34Å; A17-F86 HydrophobicContact CB-CE2 4.15Å; A17-F86 HydrophobicContact CB-CG 4.23Å; A17-F86 HydrophobicContact CB-CZ 4.25Å; A17-I188 HydrophobicContact CB-CG2 4.3Å
18F96.8Very high85.7Confident38 Ų3852.7 Ų52.717%0.16728%0.275CS..Hα-helixtrans-57.7-48.7175-169.9-98.5000112.2A14 K15 Q16 K22 T83 V85 F86 I257A14-F18 PolarHBondContact O-N 3.2Å; K15-F18 PolarHBondContact O-N 3.31Å; Q16-F18 VanDerWaalsContact C-N 3.33Å; Q16-F18 PolarHBondContact O-N 3.32Å; F18-K22 HydrophobicContact CD1-CD 4.26Å; F18-K22 HydrophobicContact CE1-CD 3.53Å; F18-K22 HydrophobicContact CZ-CD 3.81Å; F18-K22 WeakPolarHBondContact O-CB 3.16Å; F18-K22 PolarHBondContact O-N 3.35Å; F18-T83 HydrophobicContact CD2-CG2 4.41Å; F18-V85 HydrophobicContact CD2-CB 4.02Å; F18-V85 HydrophobicContact CD2-CG1 4.42Å; F18-V85 HydrophobicContact CD2-CG2 4.05Å; F18-V85 HydrophobicContact CE2-CB 4.11Å; F18-V85 HydrophobicContact CE2-CG2 3.66Å; F18-V85 HydrophobicContact CZ-CG2 4.33Å; F18-F86 HydrophobicContact CB-CD1 4.34Å; F18-F86 HydrophobicContact CB-CE1 3.82Å; F18-F86 HydrophobicContact CD2-CD1 4.39Å; F18-F86 HydrophobicContact CD2-CE1 4.12Å; F18-F86 HydrophobicContact CG-CE1 4.49Å; F18-I257 HydrophobicContact CB-CG2 3.93Å; F18-I257 HydrophobicContact CD1-CG2 4.42Å; F18-I257 HydrophobicContact CD2-CG2 3.56Å; F18-I257 HydrophobicContact CE2-CG2 4.13Å; F18-I257 HydrophobicContact CG-CG2 3.71Å
19I95.3Very high83.3Confident71 Ų7158.7 Ų58.736%0.36430%0.303SS..Hα-helixtrans-61.2-50.5179.3-68.2163.7000110.8K15 Q16 A17 F21 D23 K38K15-I19 WeakPolarHBondContact O-CG1 3.43Å; K15-I19 PolarHBondContact O-N 3.13Å; K15-I19 VanDerWaalsContact O-N 3.08Å; Q16-I19 PolarHBondContact O-N 2.95Å; A17-I19 PolarHBondContact O-N 3.14Å; I19-F21 PolarHBondContact O-N 2.87Å; I19-D23 PolarHBondContact O-N 2.86Å; I19-K38 HydrophobicContact CG2-CD 3.94Å; I19-K38 HydrophobicContact CG2-CG 4.4Å
20T94.8Very high81.1Confident2 Ų260.7 Ų60.71%0.01233%0.333CS..Hα-helixtrans-59.1-49.6-177.5-63.60000111.6Q16 A17 C24 K38 F39 L42Q16-T20 WeakPolarHBondContact O-CB 3.42Å; Q16-T20 PolarHBondContact O-N 3.13Å; Q16-T20 PolarHBondContact O-OG1 3.32Å; A17-T20 PolarHBondContact O-N 2.9Å; T20-C24 PolarHBondContact O-N 3.32Å; T20-C24 PolarHBondContact O-SG 3.45Å; T20-C24 VanDerWaalsContact O-SG 3.4Å; T20-K38 PolarHBondContact OG1-O 3.14Å; T20-K38 VanDerWaalsContact OG1-O 3.11Å; T20-F39 HydrophobicContact CG2-CB 4.16Å; T20-F39 HydrophobicContact CG2-CD2 3.77Å; T20-F39 HydrophobicContact CG2-CG 4.46Å; T20-L42 HydrophobicContact CG2-CD2 4.18Å
21F93.8Very high79.2Confident9 Ų965.4 Ų65.44%0.03936%0.358CS..Hα-helixtrans-87.4-23.2-171.6-65.1-60.1000114.3A17 I19 D23 F39 L42 V85 F86 N108 M110 I188 A190A17-F21 HydrophobicContact CB-CD2 4.34Å; A17-F21 HydrophobicContact CB-CE2 4.45Å; A17-F21 WeakPolarHBondContact O-CD2 3.36Å; A17-F21 PolarHBondContact O-N 3.24Å; I19-F21 PolarHBondContact O-N 2.87Å; F21-D23 VanDerWaalsContact C-N 3.33Å; F21-F39 HydrophobicContact CE1-CE2 4.14Å; F21-F39 HydrophobicContact CZ-CE2 4.25Å; F21-L42 HydrophobicContact CD2-CD2 4.45Å; F21-L42 HydrophobicContact CE2-CD2 3.68Å; F21-L42 HydrophobicContact CZ-CD2 4.07Å; F21-V85 HydrophobicContact CB-CG1 3.63Å; F21-F86 HydrophobicContact CD2-CB 4.45Å; F21-N108 HydrophobicContact CE1-CB 3.77Å; F21-N108 HydrophobicContact CZ-CB 4.34Å; F21-M110 HydrophobicContact CZ-CE 4.16Å; F21-I188 HydrophobicContact CE2-CG2 4.19Å; F21-A190 HydrophobicContact CB-CB 3.78Å; F21-A190 HydrophobicContact CD1-CB 3.6Å; F21-A190 HydrophobicContact CD2-CB 3.39Å; F21-A190 HydrophobicContact CE1-CB 3.95Å; F21-A190 HydrophobicContact CE2-CB 3.76Å; F21-A190 HydrophobicContact CG-CB 3.3Å; F21-A190 HydrophobicContact CZ-CB 4.02Å
22K89.6Confident77.6Confident100 Ų10066.9 Ų66.944%0.43538%0.38SS..Hα-helixtrans-65-40.4171.9-177.9171.8-179.8170.70111.5F18 R25 S26 V85F18-K22 HydrophobicContact CD1-CD 4.26Å; F18-K22 HydrophobicContact CE1-CD 3.53Å; F18-K22 HydrophobicContact CZ-CD 3.81Å; F18-K22 WeakPolarHBondContact O-CB 3.16Å; F18-K22 PolarHBondContact O-N 3.35Å; K22-R25 PolarHBondContact O-N 3.33Å; K22-S26 PolarHBondContact O-OG 3Å; K22-V85 HydrophobicContact CB-CG1 4.21Å; K22-V85 HydrophobicContact CB-CG2 4.27Å
23D72.8Confident76.3Confident55 Ų5565.7 Ų65.729%0.29438%0.383SS..Hα-helixtrans-76.5-31.5-178.4-66.4-17.1000111.9I19 F21 R25 S26 A27 K38I19-D23 PolarHBondContact O-N 2.86Å; F21-D23 VanDerWaalsContact C-N 3.33Å; D23-R25 PolarHBondContact O-N 3.11Å; D23-S26 PolarHBondContact O-N 3.19Å; D23-A27 PolarHBondContact O-N 3.49Å; D23-K38 IonicContact OD2-NZ 3.9Å; D23-K38 PolarHBondContact OD2-NZ 2.95Å
24C66.6Low75.2Confident57 Ų5768.5 Ų68.539%0.38540%0.4SS..Hα-helixtrans-59-32.1171.3-78.10000113.3T20 S26T20-C24 PolarHBondContact O-N 3.32Å; T20-C24 PolarHBondContact O-SG 3.45Å; T20-C24 VanDerWaalsContact O-SG 3.4Å; C24-S26 VanDerWaalsContact C-N 3.26Å; C24-S26 PolarHBondContact O-N 3.11Å
25R58.9Low74.4Confident158 Ų15870.3 Ų70.360%0.59641%0.411SS*.THydrogen-bonded Turntrans-72.1-20.4174.2-65.7178.793174.19113K22 D23 E84K22-R25 PolarHBondContact O-N 3.33Å; D23-R25 PolarHBondContact O-N 3.11Å; R25-E84 PolarHBondContact NH1-O 3.12Å
26S53Low73.9Confident92 Ų9269 Ų6964%0.64341%0.412SS*.THydrogen-bonded Turntrans-104.1-12.1-172.4-55.30000113.5K22 D23 C24 N28K22-S26 PolarHBondContact O-OG 3Å; D23-S26 PolarHBondContact O-N 3.19Å; C24-S26 VanDerWaalsContact C-N 3.26Å; C24-S26 PolarHBondContact O-N 3.11Å; S26-N28 PolarHBondContact O-N 3.33Å
27A51.4Low73.5Confident60 Ų6072.7 Ų72.750%0.49643%0.432SS..  trans-76.965.7-174.500000113D23D23-A27 PolarHBondContact O-N 3.49Å
28N47.1Very low73.4Confident152 Ų15275 Ų7581%0.81344%0.443SS*.SBendtrans-94-4.8160.9-94.5-14.2000112.9S26S26-N28 PolarHBondContact O-N 3.33Å
29N47.7Very low73.3Confident157 Ų15775.8 Ų75.884%0.8445%0.446SS*.SBendtrans-150.794.5-177-72.4-51.6000112.3
30G51.8Low73.3Confident82 Ų8276.4 Ų76.485%0.84545%0.45SS*.SBendtrans78.28715000000118.9
31D57.6Low73.4Confident99 Ų9981.1 Ų81.153%0.52947%0.472SS..  159.184.7129.3-1711000109.8S33 V34D31-S33 PolarHBondContact O-N 3.18Å; D31-S33 VanDerWaalsContact O-N 3.17Å; D31-S33 WeakPolarHBondContact OD1-CB 3.46Å; D31-S33 PolarHBondContact OD1-N 3.48Å; D31-V34 PolarHBondContact O-N 3.43Å; D31-V34 VanDerWaalsContact OD2-CG2 3.23Å; D31-V34 WeakPolarHBondContact OD2-CG2 3.02Å
32G64.7Low73.7Confident54 Ų5480.7 Ų80.756%0.55747%0.47SS*.Hα-helixtrans-62.8-19.4-178.300000114.1T36G32-T36 WeakPolarHBondContact O-CB 3.13Å; G32-T36 PolarHBondContact O-N 3.08Å; G32-T36 PolarHBondContact O-OG1 3.34Å
33S71.8Confident74.1Confident71 Ų7177.8 Ų77.850%0.49746%0.459SS..Hα-helixtrans-67.6-46178.7-167.20000111.1D31 V35 T36 D37D31-S33 PolarHBondContact O-N 3.18Å; D31-S33 VanDerWaalsContact O-N 3.17Å; D31-S33 WeakPolarHBondContact OD1-CB 3.46Å; D31-S33 PolarHBondContact OD1-N 3.48Å; S33-V35 PolarHBondContact O-N 3.19Å; S33-T36 WeakPolarHBondContact O-CB 3.4Å; S33-T36 PolarHBondContact O-N 3.4Å; S33-D37 VanDerWaalsContact O-CG 3.3Å; S33-D37 PolarHBondContact O-N 3.06Å
34V74.9Confident75.3Confident59 Ų5978.9 Ų78.936%0.35847%0.471SS..Hα-helixtrans-67-37.2-177.4172.80000112.1D31 T36 D37 K38D31-V34 PolarHBondContact O-N 3.43Å; D31-V34 VanDerWaalsContact OD2-CG2 3.23Å; D31-V34 WeakPolarHBondContact OD2-CG2 3.02Å; V34-T36 VanDerWaalsContact C-N 3.34Å; V34-D37 PolarHBondContact O-N 3Å; V34-K38 HydrophobicContact CG1-CD 4.16Å; V34-K38 WeakPolarHBondContact O-CG 3.42Å; V34-K38 PolarHBondContact O-N 3.03Å; V34-K38 VanDerWaalsContact O-N 3.13Å
35V80.9Confident76.8Confident38 Ų3877.7 Ų77.723%0.2346%0.461CS..Hα-helixtrans-64.4-42.7174.9177.30000110.4S33 K38 F39S33-V35 PolarHBondContact O-N 3.19Å; V35-K38 PolarHBondContact O-N 2.91Å; V35-F39 WeakPolarHBondContact O-CB 3.44Å; V35-F39 PolarHBondContact O-N 2.76Å
36T86.4Confident78.7Confident76 Ų7670.2 Ų70.247%0.46643%0.433SS..Hα-helixtrans-63.3-43.2177.9-570000111.5G32 S33 V34 F39 N40G32-T36 WeakPolarHBondContact O-CB 3.13Å; G32-T36 PolarHBondContact O-N 3.08Å; G32-T36 PolarHBondContact O-OG1 3.34Å; S33-T36 WeakPolarHBondContact O-CB 3.4Å; S33-T36 PolarHBondContact O-N 3.4Å; V34-T36 VanDerWaalsContact C-N 3.34Å; T36-F39 PolarHBondContact O-N 2.74Å; T36-N40 WeakPolarHBondContact O-CB 3.46Å; T36-N40 VanDerWaalsContact O-CG 3.26Å; T36-N40 PolarHBondContact O-N 3.36Å; T36-N40 PolarHBondContact O-ND2 3.48Å
37D90.8Very high80.9Confident96 Ų9668 Ų6851%0.51342%0.415SS..Hα-helixtrans-63.1-44.8178.9-69.1-25.2000112.2S33 V34 F39 N40 E41S33-D37 VanDerWaalsContact O-CG 3.3Å; S33-D37 PolarHBondContact O-N 3.06Å; V34-D37 PolarHBondContact O-N 3Å; D37-F39 VanDerWaalsContact C-N 3.32Å; D37-F39 PolarHBondContact O-N 3.32Å; D37-N40 PolarHBondContact O-N 3.21Å; D37-E41 WeakPolarHBondContact O-CB 3.42Å; D37-E41 PolarHBondContact O-N 3.11Å
38K94.1Very high83.1Confident50 Ų5067.8 Ų67.822%0.21741%0.41CS..Hα-helixtrans-62.4-39.5176.9-72.5168.1177.2174.70112.4Q16 I19 T20 D23 V34 V35 L42Q16-K38 PolarHBondContact NE2-O 3.44Å; I19-K38 HydrophobicContact CG2-CD 3.94Å; I19-K38 HydrophobicContact CG2-CG 4.4Å; T20-K38 PolarHBondContact OG1-O 3.14Å; T20-K38 VanDerWaalsContact OG1-O 3.11Å; D23-K38 IonicContact OD2-NZ 3.9Å; D23-K38 PolarHBondContact OD2-NZ 2.95Å; V34-K38 HydrophobicContact CG1-CD 4.16Å; V34-K38 WeakPolarHBondContact O-CG 3.42Å; V34-K38 PolarHBondContact O-N 3.03Å; V34-K38 VanDerWaalsContact O-N 3.13Å; V35-K38 PolarHBondContact O-N 2.91Å; K38-L42 PolarHBondContact O-N 3.41Å
39F94.6Very high85.6Confident53 Ų5360.6 Ų60.623%0.23237%0.371CS..Hα-helixtrans-67.4-43.5177.1-166-103.1000111.6T20 F21 V35 T36 D37 E41 L42 I43 M110 L165T20-F39 HydrophobicContact CG2-CB 4.16Å; T20-F39 HydrophobicContact CG2-CD2 3.77Å; T20-F39 HydrophobicContact CG2-CG 4.46Å; F21-F39 HydrophobicContact CE1-CE2 4.14Å; F21-F39 HydrophobicContact CZ-CE2 4.25Å; V35-F39 WeakPolarHBondContact O-CB 3.44Å; V35-F39 PolarHBondContact O-N 2.76Å; T36-F39 PolarHBondContact O-N 2.74Å; D37-F39 VanDerWaalsContact C-N 3.32Å; D37-F39 PolarHBondContact O-N 3.32Å; F39-E41 VanDerWaalsContact C-N 3.35Å; F39-E41 PolarHBondContact O-N 2.77Å; F39-L42 WeakPolarHBondContact O-CB 3.44Å; F39-L42 PolarHBondContact O-N 2.8Å; F39-I43 HydrophobicContact CD1-CD1 3.5Å; F39-I43 HydrophobicContact CD1-CG1 4.27Å; F39-I43 HydrophobicContact CE1-CD1 3.47Å; F39-I43 VanDerWaalsContact CE1-CD1 3.47Å; F39-I43 HydrophobicContact CE1-CG1 4.2Å; F39-I43 HydrophobicContact CG-CD1 4.5Å; F39-I43 HydrophobicContact CZ-CD1 4.41Å; F39-I43 WeakPolarHBondContact O-CG1 3.41Å; F39-I43 PolarHBondContact O-N 2.97Å; F39-M110 HydrophobicContact CD2-CE 3.86Å; F39-M110 HydrophobicContact CE1-CE 4.24Å; F39-M110 HydrophobicContact CE2-CE 3.25Å; F39-M110 HydrophobicContact CZ-CE 3.48Å; F39-M110 VanDerWaalsContact CZ-CE 3.48Å; F39-L165 HydrophobicContact CE1-CD1 4.18Å; F39-L165 HydrophobicContact CZ-CD1 4.44Å
40N96.3Very high88Confident84 Ų8456.6 Ų56.645%0.44935%0.345SS..Hα-helixtrans-63.6-39.1175.4-72.7-29.4000112.4T36 D37 L42 I43 S44T36-N40 WeakPolarHBondContact O-CB 3.46Å; T36-N40 VanDerWaalsContact O-CG 3.26Å; T36-N40 PolarHBondContact O-N 3.36Å; T36-N40 PolarHBondContact O-ND2 3.48Å; D37-N40 PolarHBondContact O-N 3.21Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-I43 PolarHBondContact O-N 3.02Å; N40-S44 WeakPolarHBondContact O-CB 3.37Å; N40-S44 PolarHBondContact O-N 3.09Å
41E97.6Very high90.2Very high102 Ų10253.1 Ų53.148%0.47731%0.308SS..Hα-helixtrans-61-44.5172.9-178.7175-166.500111.1Q16 D37 F39 S44 L45Q16-E41 HydrophobicContact CG-CG 4.23Å; Q16-E41 PolarHBondContact NE2-OE2 3.35Å; Q16-E41 PolarHBondContact OE1-OE2 3.1Å; D37-E41 WeakPolarHBondContact O-CB 3.42Å; D37-E41 PolarHBondContact O-N 3.11Å; F39-E41 VanDerWaalsContact C-N 3.35Å; F39-E41 PolarHBondContact O-N 2.77Å; E41-S44 WeakPolarHBondContact O-CB 3.47Å; E41-S44 PolarHBondContact O-N 2.84Å; E41-L45 HydrophobicContact CG-CD1 4.29Å; E41-L45 WeakPolarHBondContact O-CG 3.34Å; E41-L45 PolarHBondContact O-N 2.81Å
42L98.3Very high92.1Very high0 Ų056.1 Ų56.10%032%0.316CS..Hα-helixtrans-61-47.4175.9-178.358.6000111.7I13 Q16 A17 T20 F21 K38 F39 N40 S44 L45 V46 M110I13-L42 HydrophobicContact CG2-CD1 4.18Å; Q16-L42 HydrophobicContact CB-CD1 4.12Å; Q16-L42 HydrophobicContact CG-CB 3.91Å; Q16-L42 HydrophobicContact CG-CD1 4.19Å; A17-L42 HydrophobicContact CB-CD1 4.08Å; A17-L42 HydrophobicContact CB-CD2 4.2Å; T20-L42 HydrophobicContact CG2-CD2 4.18Å; F21-L42 HydrophobicContact CD2-CD2 4.45Å; F21-L42 HydrophobicContact CE2-CD2 3.68Å; F21-L42 HydrophobicContact CZ-CD2 4.07Å; K38-L42 PolarHBondContact O-N 3.41Å; F39-L42 WeakPolarHBondContact O-CB 3.44Å; F39-L42 PolarHBondContact O-N 2.8Å; N40-L42 VanDerWaalsContact C-N 3.34Å; L42-S44 VanDerWaalsContact C-N 3.28Å; L42-S44 PolarHBondContact O-N 2.93Å; L42-L45 PolarHBondContact O-N 2.82Å; L42-V46 HydrophobicContact CD1-CG2 3.99Å; L42-V46 HydrophobicContact CG-CG2 4.33Å; L42-V46 WeakPolarHBondContact O-CB 3.43Å; L42-V46 VanDerWaalsContact O-CG2 3.3Å; L42-V46 WeakPolarHBondContact O-CG2 3.1Å; L42-V46 PolarHBondContact O-N 2.83Å; L42-M110 HydrophobicContact CB-CE 4.49Å; L42-M110 HydrophobicContact CD2-CE 3.6Å; L42-M110 HydrophobicContact CD2-SD 3.84Å; L42-M110 HydrophobicContact CG-CE 3.93Å; L42-M110 HydrophobicContact CG-SD 3.83Å
43I98.4Very high93.7Very high38 Ų3855.9 Ų55.920%0.19530%0.302CS..Hα-helixtrans-56.2-44.6175.8-70.2164.6000110.7F39 N40 V46 T47 M110 P163 L165F39-I43 HydrophobicContact CD1-CD1 3.5Å; F39-I43 HydrophobicContact CD1-CG1 4.27Å; F39-I43 HydrophobicContact CE1-CD1 3.47Å; F39-I43 VanDerWaalsContact CE1-CD1 3.47Å; F39-I43 HydrophobicContact CE1-CG1 4.2Å; F39-I43 HydrophobicContact CG-CD1 4.5Å; F39-I43 HydrophobicContact CZ-CD1 4.41Å; F39-I43 WeakPolarHBondContact O-CG1 3.41Å; F39-I43 PolarHBondContact O-N 2.97Å; N40-I43 PolarHBondContact O-N 3.02Å; I43-V46 PolarHBondContact O-N 3.01Å; I43-T47 VanDerWaalsContact O-CB 3.25Å; I43-T47 WeakPolarHBondContact O-CB 3.49Å; I43-T47 PolarHBondContact O-N 3.4Å; I43-T47 PolarHBondContact O-OG1 2.89Å; I43-M110 HydrophobicContact CG1-CE 4.09Å; I43-P163 HydrophobicContact CG2-CG 4.18Å; I43-L165 HydrophobicContact CD1-CD1 3.93Å; I43-L165 HydrophobicContact CG1-CD1 4.39Å; I43-L165 HydrophobicContact CG1-CD2 4.48Å
44S98.6Very high94.9Very high79 Ų7952.5 Ų52.555%0.55228%0.279SS*.Hα-helixtrans-61.6-47.3179.4-177.90000111.7N40 E41 L42 T47 S48N40-S44 WeakPolarHBondContact O-CB 3.37Å; N40-S44 PolarHBondContact O-N 3.09Å; E41-S44 WeakPolarHBondContact O-CB 3.47Å; E41-S44 PolarHBondContact O-N 2.84Å; L42-S44 VanDerWaalsContact C-N 3.28Å; L42-S44 PolarHBondContact O-N 2.93Å; S44-T47 PolarHBondContact O-N 3.24Å; S44-S48 PolarHBondContact O-N 3.25Å; S44-S48 VanDerWaalsContact O-N 3.12Å
45L98.6Very high96Very high32 Ų3255.9 Ų55.917%0.16829%0.289CS..Hα-helixtrans-62.1-47.8177.4-69.3171.6000111.6L9 I13 Q16 E41 L42 T47 S48 V49L9-L45 HydrophobicContact CD1-CD2 4Å; I13-L45 HydrophobicContact CG1-CB 3.76Å; Q16-L45 HydrophobicContact CB-CD1 3.81Å; Q16-L45 HydrophobicContact CG-CD1 4.05Å; E41-L45 HydrophobicContact CG-CD1 4.29Å; E41-L45 WeakPolarHBondContact O-CG 3.34Å; E41-L45 PolarHBondContact O-N 2.81Å; L42-L45 PolarHBondContact O-N 2.82Å; L45-T47 VanDerWaalsContact C-N 3.34Å; L45-T47 PolarHBondContact O-N 3.07Å; L45-S48 PolarHBondContact O-N 2.95Å; L45-S48 VanDerWaalsContact O-N 3.14Å; L45-S48 PolarHBondContact O-OG 2.84Å; L45-V49 PolarHBondContact O-N 3.03Å
46V98.7Very high96.8Very high1 Ų154.6 Ų54.61%0.00628%0.28CS..Hα-helixtrans-62-41.7177.5171.50000110.9I13 L42 I43 S48 V49 M110 K112 P163 I188I13-V46 HydrophobicContact CG2-CG2 3.79Å; L42-V46 HydrophobicContact CD1-CG2 3.99Å; L42-V46 HydrophobicContact CG-CG2 4.33Å; L42-V46 WeakPolarHBondContact O-CB 3.43Å; L42-V46 VanDerWaalsContact O-CG2 3.3Å; L42-V46 WeakPolarHBondContact O-CG2 3.1Å; L42-V46 PolarHBondContact O-N 2.83Å; I43-V46 PolarHBondContact O-N 3.01Å; V46-S48 PolarHBondContact O-N 3.11Å; V46-V49 WeakPolarHBondContact O-CG1 3.3Å; V46-V49 PolarHBondContact O-N 2.75Å; V46-M110 HydrophobicContact CG2-SD 4.27Å; V46-K112 HydrophobicContact CG1-CB 3.6Å; V46-K112 HydrophobicContact CG1-CG 4.14Å; V46-K112 WeakPolarHBondContact O-CG 3.48Å; V46-P163 HydrophobicContact CG1-CB 3.96Å; V46-P163 HydrophobicContact CG1-CG 4.16Å; V46-I188 HydrophobicContact CG2-CD1 3.8Å
47T98.7Very high97.1Very high46 Ų4658 Ų5828%0.28229%0.294SS..Hα-helixtrans-59.5-34176.5-61.40000112I43 S44 L45 R50 K112 P163I43-T47 VanDerWaalsContact O-CB 3.25Å; I43-T47 WeakPolarHBondContact O-CB 3.49Å; I43-T47 PolarHBondContact O-N 3.4Å; I43-T47 PolarHBondContact O-OG1 2.89Å; S44-T47 PolarHBondContact O-N 3.24Å; L45-T47 VanDerWaalsContact C-N 3.34Å; L45-T47 PolarHBondContact O-N 3.07Å; T47-R50 PolarHBondContact O-NH1 3.01Å; T47-K112 WeakPolarHBondContact O-CE 3.44Å; T47-P163 WeakPolarHBondContact OG1-CD 3.42Å
48S98.4Very high97.2Very high55 Ų5556.3 Ų56.339%0.38529%0.288SS..Hα-helixtrans-79.6-18.6-17777.30000114.8S44 L45 V46 R50S44-S48 PolarHBondContact O-N 3.25Å; S44-S48 VanDerWaalsContact O-N 3.12Å; L45-S48 PolarHBondContact O-N 2.95Å; L45-S48 VanDerWaalsContact O-N 3.14Å; L45-S48 PolarHBondContact O-OG 2.84Å; V46-S48 PolarHBondContact O-N 3.11Å; S48-R50 VanDerWaalsContact C-NH1 3.31Å; S48-R50 PolarHBondContact O-NH1 2.8Å
49V98.5Very high96.9Very high0 Ų057.1 Ų57.10%030%0.299CS..  trans-67.8142.4-175.976.20000111.7L9 I13 L45 V46 D53 L54 K112 L114 L186L9-V49 HydrophobicContact CD2-CB 4.12Å; L9-V49 HydrophobicContact CD2-CG2 4.24Å; I13-V49 HydrophobicContact CD1-CB 3.8Å; I13-V49 HydrophobicContact CD1-CG1 4.39Å; I13-V49 HydrophobicContact CD1-CG2 3.99Å; L45-V49 PolarHBondContact O-N 3.03Å; V46-V49 WeakPolarHBondContact O-CG1 3.3Å; V46-V49 PolarHBondContact O-N 2.75Å; V49-D53 HydrophobicContact CG2-CB 4.23Å; V49-L54 HydrophobicContact CG2-CD1 4.37Å; V49-L54 HydrophobicContact CG2-CG 4.43Å; V49-K112 HydrophobicContact CG1-CG 3.98Å; V49-L114 HydrophobicContact CG1-CD2 3.92Å; V49-L186 HydrophobicContact CG1-CD2 3.99Å
50R98.3Very high96.1Very high74 Ų7463.7 Ų63.728%0.27933%0.327SS..  trans-131.1160.7177.1-63.2-64.8-179.1-84.54.4110.3T47 S48 K52 D53T47-R50 PolarHBondContact O-NH1 3.01Å; S48-R50 VanDerWaalsContact C-NH1 3.31Å; S48-R50 PolarHBondContact O-NH1 2.8Å; R50-K52 HydrophobicContact CB-CG 4.1Å; R50-K52 PolarHBondContact O-N 2.98Å; R50-K52 VanDerWaalsContact O-N 3.1Å; R50-D53 PolarHBondContact N-OD2 2.92Å; R50-D53 WeakPolarHBondContact O-CB 3.47Å; R50-D53 PolarHBondContact O-N 3.42Å
51A98.1Very high94.2Very high9 Ų966.3 Ų66.37%0.07434%0.341CS..G310 helixtrans-51.3-37.9178.300000113.2D53 L54 K55 I56 L114 Y115A51-D53 VanDerWaalsContact C-N 3.3Å; A51-D53 PolarHBondContact O-N 3.25Å; A51-L54 CarbonylContact O-C 3.58Å; A51-L54 PolarHBondContact O-N 2.91Å; A51-L54 VanDerWaalsContact O-N 3.13Å; A51-K55 PolarHBondContact O-N 3.41Å; A51-K55 VanDerWaalsContact O-N 3.14Å; A51-I56 HydrophobicContact CB-CB 4.3Å; A51-I56 WeakPolarHBondContact CB-O 3.44Å; A51-I56 PolarHBondContact O-N 3.22Å; A51-L114 HydrophobicContact CB-CB 4.21Å; A51-Y115 HydrophobicContact CB-CD1 4.27Å
52K97.7Very high92.1Very high161 Ų16169.8 Ų69.870%0.736%0.355SS*.G310 helixtrans-61-33177.769.4-179.3-178.3-178.70113.9R50 L54 K55R50-K52 HydrophobicContact CB-CG 4.1Å; R50-K52 PolarHBondContact O-N 2.98Å; R50-K52 VanDerWaalsContact O-N 3.1Å; K52-L54 PolarHBondContact O-N 2.84Å; K52-K55 PolarHBondContact O-N 3.46Å; K52-K55 VanDerWaalsContact O-N 3.13Å
53D98Very high89.7Confident50 Ų5076 Ų7627%0.26740%0.395SS..G310 helixtrans-69.4-23.6-179.3-56.2-51.3000111.1V49 R50 A51 P253V49-D53 HydrophobicContact CG2-CB 4.23Å; R50-D53 PolarHBondContact N-OD2 2.92Å; R50-D53 WeakPolarHBondContact O-CB 3.47Å; R50-D53 PolarHBondContact O-N 3.42Å; A51-D53 VanDerWaalsContact C-N 3.3Å; A51-D53 PolarHBondContact O-N 3.25Å; D53-P253 VanDerWaalsContact O-CD 3.31Å; D53-P253 WeakPolarHBondContact O-CD 3.49Å
54L98Very high87.5Confident0 Ų079.7 Ų79.70%043%0.425CS..G310 helixtrans-100.72.3177.9-60.1165.8000112.2I10 V49 A51 K52 I56 I80 V90 L114 Y250 G252I10-L54 HydrophobicContact CB-CD2 3.86Å; I10-L54 HydrophobicContact CD1-CD2 3.65Å; I10-L54 HydrophobicContact CG1-CD2 3.54Å; I10-L54 HydrophobicContact CG2-CD2 4.42Å; V49-L54 HydrophobicContact CG2-CD1 4.37Å; V49-L54 HydrophobicContact CG2-CG 4.43Å; A51-L54 CarbonylContact O-C 3.58Å; A51-L54 PolarHBondContact O-N 2.91Å; A51-L54 VanDerWaalsContact O-N 3.13Å; K52-L54 PolarHBondContact O-N 2.84Å; L54-I56 HydrophobicContact CB-CD1 3.85Å; L54-I56 HydrophobicContact CB-CG1 3.87Å; L54-I56 HydrophobicContact CD1-CD1 4.17Å; L54-I56 PolarHBondContact O-N 3.43Å; L54-I80 HydrophobicContact CD2-CD1 4.13Å; L54-V90 HydrophobicContact CD1-CG2 4.21Å; L54-L114 HydrophobicContact CD1-CD1 3.39Å; L54-L114 HydrophobicContact CD1-CD2 3.66Å; L54-L114 HydrophobicContact CD1-CG 4.17Å; L54-Y250 HydrophobicContact CB-CE2 4.07Å; L54-Y250 HydrophobicContact CD2-CE2 3.86Å; L54-Y250 WeakPolarHBondContact CD2-OH 3.36Å; L54-G252 WeakPolarHBondContact O-CA 3.27Å; L54-G252 PolarHBondContact O-N 3.47Å
55K97.6Very high85Confident130 Ų13081.6 Ų81.657%0.56544%0.438SS*.THydrogen-bonded Turntrans53.628.9-171.9-55.3-179.7-170.8163.80113.9A51 K52 P251A51-K55 PolarHBondContact O-N 3.41Å; A51-K55 VanDerWaalsContact O-N 3.14Å; K52-K55 PolarHBondContact O-N 3.46Å; K52-K55 VanDerWaalsContact O-N 3.13Å; K55-P251 WeakPolarHBondContact CD-O 3.29Å
56I96.8Very high82.5Confident11 Ų1184.1 Ų84.16%0.05647%0.472CS..  trans-87.3129175.8-63.7176.8000108.2A51 L54 M78 V90 L114 Y115 P251A51-I56 HydrophobicContact CB-CB 4.3Å; A51-I56 WeakPolarHBondContact CB-O 3.44Å; A51-I56 PolarHBondContact O-N 3.22Å; L54-I56 HydrophobicContact CB-CD1 3.85Å; L54-I56 HydrophobicContact CB-CG1 3.87Å; L54-I56 HydrophobicContact CD1-CD1 4.17Å; L54-I56 PolarHBondContact O-N 3.43Å; I56-M78 HydrophobicContact CD1-SD 4.32Å; I56-V90 HydrophobicContact CD1-CB 4.24Å; I56-V90 HydrophobicContact CD1-CG1 3.83Å; I56-V90 HydrophobicContact CD1-CG2 3.99Å; I56-L114 HydrophobicContact CD1-CD1 4.11Å; I56-Y115 HydrophobicContact CG2-CD1 4.21Å; I56-Y115 HydrophobicContact CG2-CE1 3.65Å; I56-P251 HydrophobicContact CG1-CG 4.36Å
57I94.1Very high80.1Confident146 Ų14688 Ų8875%0.74950%0.504SS*.  trans-107.5118.2-178.7-58.6174.6000107.8
58P91.8Very high77.7Confident61 Ų6191.2 Ų91.240%0.39654%0.535SS..PPolyproline II helixtrans-57138.9174.9-2433.5000110.9K60 Y115P58-K60 PolarHBondContact O-N 2.99Å; P58-Y115 HydrophobicContact CB-CD1 4.16Å; P58-Y115 HydrophobicContact CB-CD2 3.96Å; P58-Y115 HydrophobicContact CB-CE2 4.4Å; P58-Y115 HydrophobicContact CB-CG 3.84Å; P58-Y115 HydrophobicContact CG-CD1 3.84Å; P58-Y115 HydrophobicContact CG-CD2 4.36Å; P58-Y115 HydrophobicContact CG-CG 3.73Å
59P87.5Confident75.5Confident68 Ų6892 Ų9244%0.44254%0.544SS..PPolyproline II helixtrans-56.5137.2174.3-19.629.7000110.1N61 P182P59-N61 PolarHBondContact O-N 2.99Å; P59-P182 HydrophobicContact CB-CG 4.19Å; P59-P182 HydrophobicContact CG-CB 4.16Å; P59-P182 HydrophobicContact CG-CG 3.88Å
60K77.8Confident73.4Confident190 Ų19097.5 Ų97.583%0.82658%0.581SS**PPolyproline II helixtrans-68.7125169.1-66.2-177.4-179.4179.30107.4P58 K62P58-K60 PolarHBondContact O-N 2.99Å; K60-K62 VanDerWaalsContact C-N 3.31Å; K60-K62 PolarHBondContact O-N 3.45Å
61N57.2Low72.1Confident140 Ų140102.3 Ų102.375%0.74961%0.606SS**  trans-5393.4173.5-79.8-6000110.1P59P59-N61 PolarHBondContact O-N 2.99Å
62K53.4Low71.4Confident174 Ų174104.9 Ų104.976%0.75762%0.623SS**  trans-121.7121.1163.3-76.6-169.8177.3-175.50105.9K60 S64K60-K62 VanDerWaalsContact C-N 3.31Å; K60-K62 PolarHBondContact O-N 3.45Å; K62-S64 PolarHBondContact O-N 3.36Å
63P47.3Very low70.9Confident131 Ų13198.6 Ų98.685%0.85160%0.599SS**  trans-59115.6165.124.5-29.3000106.5S65P63-S65 PolarHBondContact O-N 2.61Å
64S51.8Low70.7Confident116 Ų11697 Ų9781%0.81159%0.591SS**  trans-63.311317447.10000107.7K62 G66K62-S64 PolarHBondContact O-N 3.36Å; S64-G66 PolarHBondContact O-N 3.23Å
65S46.6Very low70.6Confident118 Ų11897 Ų9783%0.82559%0.591SS**  trans-52.1135167-1750000109.1P63 A67P63-S65 PolarHBondContact O-N 2.61Å; S65-A67 PolarHBondContact O-N 3.31Å
66G47.3Very low70.6Confident86 Ų8691.4 Ų91.489%0.88757%0.568SS**SBendtrans-63.784.4-170.100000114.4S64S64-G66 PolarHBondContact O-N 3.23Å
67A46.7Very low70.6Confident83 Ų8393.4 Ų93.469%0.68658%0.575SS**  trans-107130.3155.900000108S65 A69S65-A67 PolarHBondContact O-N 3.31Å; A67-A69 PolarHBondContact O-N 3.42Å
68A49.3Very low70.8Confident113 Ų11387.2 Ų87.293%0.93454%0.544SS*.  trans-65.383.8170.100000108.7
69A51.5Low71.1Confident70 Ų7088.7 Ų88.758%0.57955%0.545SS*.  trans-62.3150.1167.400000108.5A67 Q71A67-A69 PolarHBondContact O-N 3.42Å; A69-Q71 PolarHBondContact O-N 3.36Å
70P55Low71.6Confident117 Ų11786.2 Ų86.276%0.7653%0.528SS*.  trans-47.5144.1167.919.8-30.9000109.6S72P70-S72 VanDerWaalsContact C-N 3.27Å; P70-S72 PolarHBondContact O-N 3.42Å
71Q71.4Confident72.6Confident175 Ų17577.8 Ų77.882%0.81849%0.493SS*.  trans-55.992.9-179.8-74.5-167.5-6.400109.2A69 W244A69-Q71 PolarHBondContact O-N 3.36Å; Q71-W244 HydrophobicContact CB-CH2 4.18Å; Q71-W244 HydrophobicContact CB-CZ2 4.11Å
72S81.9Confident74.5Confident62 Ų6276.7 Ų76.743%0.43448%0.483SS..  trans-84.6144.2177.142.90000107.3P70 K94P70-S72 VanDerWaalsContact C-N 3.27Å; P70-S72 PolarHBondContact O-N 3.42Å; S72-K94 VanDerWaalsContact C-NZ 3.26Å; S72-K94 VanDerWaalsContact CB-NZ 3.31Å; S72-K94 PolarHBondContact O-NZ 3.49Å; S72-K94 PolarHBondContact OG-NZ 2.97Å
73P89.2Confident76.6Confident30 Ų3069.7 Ų69.720%0.19546%0.455CS..  trans-51.7135.1-175.123.3-36.3000112.2V75 T76 K94 W244P73-V75 WeakPolarHBondContact CB-O 3.5Å; P73-V75 PolarHBondContact O-N 3.12Å; P73-T76 HydrophobicContact CB-CG2 4.29Å; P73-T76 HydrophobicContact CG-CG2 3.57Å; P73-K94 WeakPolarHBondContact O-CE 3.43Å; P73-K94 PolarHBondContact O-NZ 3.09Å; P73-W244 VanDerWaalsContact CA-CE2 3.46Å; P73-W244 VanDerWaalsContact CA-NE1 3.29Å
74P92.4Very high78.8Confident16 Ų1669.4 Ų69.410%0.10444%0.442CS..SBendtrans-61-32.8176.924.3-34.1000111.4K94 T97 F243 W244P74-K94 PolarHBondContact O-N 3.24Å; P74-T97 HydrophobicContact CB-CG2 3.75Å; P74-T97 PolarHBondContact O-OG1 2.69Å; P74-F243 HydrophobicContact CG-CD2 4.32Å; P74-W244 VanDerWaalsContact CD-O 3.3Å; P74-W244 WeakPolarHBondContact CD-O 3.5Å; P74-W244 HydrophobicContact CG-CD2 4.38Å; P74-W244 HydrophobicContact CG-CE3 4.12Å; P74-W244 HydrophobicContact CG-CZ3 4.29Å; P74-W244 WeakPolarHBondContact CG-O 3.33Å
75V96.1Very high80.9Confident0 Ų064.1 Ų64.10%041%0.405CS..EExtended strand (participates in β ladder)trans-129.8137.1178.6-177.10000109.8P73 F91 L92 L93 I99 F243 C245 G246P73-V75 WeakPolarHBondContact CB-O 3.5Å; P73-V75 PolarHBondContact O-N 3.12Å; V75-F91 HydrophobicContact CG1-CB 4.29Å; V75-F91 HydrophobicContact CG1-CD1 3.78Å; V75-L92 CarbonylContact C-O 3.57Å; V75-L92 VanDerWaalsContact CA-O 3.27Å; V75-L92 WeakPolarHBondContact CA-O 3.34Å; V75-L93 HydrophobicContact CG1-CD1 4.07Å; V75-L93 HydrophobicContact CG1-CG 4.38Å; V75-L93 HydrophobicContact CG2-CG 3.94Å; V75-I99 HydrophobicContact CG1-CD1 4.35Å; V75-I99 HydrophobicContact CG1-CG1 4.35Å; V75-I99 HydrophobicContact CG2-CG1 4.03Å; V75-F243 HydrophobicContact CB-CE2 4.16Å; V75-F243 HydrophobicContact CG2-CD2 4.46Å; V75-F243 HydrophobicContact CG2-CE2 3.76Å; V75-C245 WeakPolarHBondContact O-CA 3.47Å; V75-G246 PolarHBondContact O-N 3.08Å
76T97.1Very high83.4Confident13 Ų1358.5 Ų58.58%0.0837%0.366CS..EExtended strand (participates in β ladder)trans-113.9152.4169.860.40000111.8P73 F91 L92 G246 E248P73-T76 HydrophobicContact CB-CG2 4.29Å; P73-T76 HydrophobicContact CG-CG2 3.57Å; T76-F91 CarbonylContact O-C 3.6Å; T76-F91 WeakPolarHBondContact O-CA 3.32Å; T76-L92 PolarHBondContact N-O 2.77Å; T76-L92 PolarHBondContact O-N 3.43Å; T76-G246 CarbonylContact C-O 3.44Å; T76-G246 WeakPolarHBondContact CA-O 3.19Å; T76-G246 WeakPolarHBondContact CB-O 3.22Å; T76-E248 HydrophobicContact CG2-CG 4.02Å; T76-E248 PolarHBondContact OG1-OE2 2.74Å
77Y98.1Very high85.8Confident52 Ų5255 Ų5520%0.20433%0.327CS..EExtended strand (participates in β ladder)trans-122.3127.8179.8178.2-103.6000110.8H79 V90 F91 C245 G246 E248Y77-H79 HydrophobicContact CD1-CB 4.43Å; Y77-H79 HydrophobicContact CE1-CB 3.78Å; Y77-V90 CarbonylContact C-O 3.46Å; Y77-V90 WeakPolarHBondContact CA-O 3.39Å; Y77-F91 AromaticContact CD2-CD1 3.99Å; Y77-F91 HydrophobicContact CD2-CD1 3.99Å; Y77-F91 AromaticContact CD2-CD2 3.95Å; Y77-F91 HydrophobicContact CD2-CD2 3.95Å; Y77-F91 AromaticContact CD2-CE1 3.73Å; Y77-F91 HydrophobicContact CD2-CE1 3.73Å; Y77-F91 AromaticContact CD2-CE2 3.69Å; Y77-F91 HydrophobicContact CD2-CE2 3.69Å; Y77-F91 HydrophobicContact CD2-CG 4.11Å; Y77-F91 AromaticContact CD2-CZ 3.58Å; Y77-F91 HydrophobicContact CD2-CZ 3.58Å; Y77-F91 HydrophobicContact CE2-CD2 4.28Å; Y77-F91 AromaticContact CE2-CE2 3.79Å; Y77-F91 HydrophobicContact CE2-CE2 3.79Å; Y77-F91 AromaticContact CE2-CZ 3.94Å; Y77-F91 HydrophobicContact CE2-CZ 3.94Å; Y77-F91 HydrophobicContact CG-CE1 4.32Å; Y77-F91 HydrophobicContact CG-CZ 4.47Å; Y77-C245 WeakPolarHBondContact CB-SG 3.39Å; Y77-G246 PolarHBondContact N-O 2.82Å; Y77-E248 PolarHBondContact O-N 3.42Å
78M98.3Very high88.3Confident17 Ų1751 Ų518%0.08430%0.295CS..EExtended strand (participates in β ladder)trans-105.1107.9171.6-62.3178.2-177.700109I56 G89 V90 L92 E248I56-M78 HydrophobicContact CD1-SD 4.32Å; M78-G89 CarbonylContact O-C 3.51Å; M78-G89 WeakPolarHBondContact O-CA 3.15Å; M78-V90 HydrophobicContact CB-CB 4.33Å; M78-V90 PolarHBondContact N-O 3.05Å; M78-V90 PolarHBondContact O-N 3.37Å; M78-L92 HydrophobicContact CE-CD1 3.68Å; M78-L92 HydrophobicContact CE-CD2 3.72Å; M78-L92 HydrophobicContact CE-CG 4.4Å; M78-L92 HydrophobicContact CG-CD1 3.93Å; M78-L92 HydrophobicContact SD-CD1 3.87Å; M78-E248 WeakPolarHBondContact CA-O 3.01Å; M78-E248 HydrophobicContact CE-CB 4.32Å; M78-E248 HydrophobicContact CG-CB 4.26Å
79H98.1Very high90.6Very high92 Ų9245.7 Ų45.743%0.42625%0.251SS..EExtended strand (participates in β ladder)trans-68.2131.3174.7-179.283.8000110.8Y77 Y250Y77-H79 HydrophobicContact CD1-CB 4.43Å; Y77-H79 HydrophobicContact CE1-CB 3.78Å; H79-Y250 WeakPolarHBondContact O-CB 3.2Å
80I98.4Very high92.9Very high16 Ų1642.3 Ų42.38%0.08222%0.223CC..EExtended strand (participates in β ladder)trans-104.7-57.7175.3-65.3174000110.5I10 L54 M88 V90 L186 Y250 V255I10-I80 HydrophobicContact CD1-CD1 4.3Å; I10-I80 HydrophobicContact CG1-CD1 4.35Å; I10-I80 HydrophobicContact CG1-CG2 4.31Å; L54-I80 HydrophobicContact CD2-CD1 4.13Å; I80-M88 HydrophobicContact CB-CG 4.34Å; I80-M88 WeakPolarHBondContact CB-O 3.35Å; I80-M88 HydrophobicContact CD1-CG 4.24Å; I80-M88 HydrophobicContact CD1-SD 4.42Å; I80-M88 HydrophobicContact CG2-SD 4.28Å; I80-M88 PolarHBondContact N-O 3.46Å; I80-V90 HydrophobicContact CD1-CG2 3.91Å; I80-L186 HydrophobicContact CD1-CD1 3.78Å; I80-Y250 HydrophobicContact CD1-CD2 4.26Å; I80-Y250 HydrophobicContact CD1-CE2 3.85Å; I80-Y250 HydrophobicContact CG1-CD1 4.14Å; I80-Y250 HydrophobicContact CG1-CD2 3.79Å; I80-Y250 HydrophobicContact CG1-CE1 4.13Å; I80-Y250 HydrophobicContact CG1-CE2 3.79Å; I80-Y250 HydrophobicContact CG1-CG 3.96Å; I80-Y250 HydrophobicContact CG2-CE1 4.33Å; I80-V255 HydrophobicContact CG2-CB 4.01Å; I80-V255 HydrophobicContact CG2-CG2 3.56Å
81C97.9Very high94.9Very high13 Ų1338.7 Ų38.79%0.08820%0.196CC..EExtended strand (participates in β ladder)trans-162.4157.4175.962.90000111.1M88 V255C81-M88 PolarHBondContact N-O 3.47Å; C81-M88 PolarHBondContact O-N 3.23Å; C81-V255 HydrophobicContact CB-CB 4.38Å; C81-V255 HydrophobicContact CB-CG1 4.11Å
82E97.4Very high96.2Very high117 Ų11731.6 Ų31.655%0.54716%0.163SC..EExtended strand (participates in β ladder)trans-144.1146172.7179.5174.6126.200110.5P192E82-P192 HydrophobicContact CG-CB 4.41Å; E82-P192 HydrophobicContact CG-CG 3.97Å
83T96.5Very high96.9Very high26 Ų2628.8 Ų28.816%0.1614%0.143CC..  trans-138.7175176.863.50000108.6F18 V85 F86 P192 I257F18-T83 HydrophobicContact CD2-CG2 4.41Å; T83-V85 PolarHBondContact O-N 3.43Å; T83-V85 VanDerWaalsContact O-N 3.11Å; T83-V85 PolarHBondContact OG1-N 2.89Å; T83-F86 HydrophobicContact CG2-CE1 4.25Å; T83-F86 PolarHBondContact N-O 3.37Å; T83-F86 WeakPolarHBondContact OG1-CD1 3.31Å; T83-F86 PolarHBondContact OG1-N 2.82Å; T83-F86 VanDerWaalsContact OG1-N 3.11Å; T83-F86 PolarHBondContact OG1-O 3.17Å; T83-F86 VanDerWaalsContact OG1-O 3.13Å; T83-P192 WeakPolarHBondContact O-CG 3.31Å; T83-I257 HydrophobicContact CG2-CB 4.02Å; T83-I257 HydrophobicContact CG2-CG1 4.34Å; T83-I257 HydrophobicContact CG2-CG2 3.93Å
84E94.3Very high97.1Very high125 Ų12531.2 Ų31.258%0.58415%0.151SC*.SBendtrans-65.1-10.3170.772.9-72.3171.400114.3R25R25-E84 PolarHBondContact NH1-O 3.12Å
85V96.1Very high97.1Very high6 Ų633.6 Ų33.64%0.03617%0.171CC..SBendtrans-101.8-39.7-176.21770000112F18 F21 K22 T83 A190 P191F18-V85 HydrophobicContact CD2-CB 4.02Å; F18-V85 HydrophobicContact CD2-CG1 4.42Å; F18-V85 HydrophobicContact CD2-CG2 4.05Å; F18-V85 HydrophobicContact CE2-CB 4.11Å; F18-V85 HydrophobicContact CE2-CG2 3.66Å; F18-V85 HydrophobicContact CZ-CG2 4.33Å; F21-V85 HydrophobicContact CB-CG1 3.63Å; K22-V85 HydrophobicContact CB-CG1 4.21Å; K22-V85 HydrophobicContact CB-CG2 4.27Å; T83-V85 PolarHBondContact O-N 3.43Å; T83-V85 VanDerWaalsContact O-N 3.11Å; T83-V85 PolarHBondContact OG1-N 2.89Å; V85-A190 WeakPolarHBondContact O-CB 3.41Å; V85-P191 WeakPolarHBondContact O-CA 3.44Å
86F97.8Very high96.7Very high0 Ų036.9 Ų36.90%021%0.206CC..  trans-159.4158.9-178.578.6-79.3000111.8A14 A17 F18 F21 T83 M88 I188 L189 A190 I257A14-F86 HydrophobicContact CB-CZ 4.17Å; A14-F86 WeakPolarHBondContact O-CZ 3.45Å; A17-F86 HydrophobicContact CB-CD1 4.33Å; A17-F86 HydrophobicContact CB-CD2 4.12Å; A17-F86 HydrophobicContact CB-CE1 4.34Å; A17-F86 HydrophobicContact CB-CE2 4.15Å; A17-F86 HydrophobicContact CB-CG 4.23Å; A17-F86 HydrophobicContact CB-CZ 4.25Å; F18-F86 HydrophobicContact CB-CD1 4.34Å; F18-F86 HydrophobicContact CB-CE1 3.82Å; F18-F86 HydrophobicContact CD2-CD1 4.39Å; F18-F86 HydrophobicContact CD2-CE1 4.12Å; F18-F86 HydrophobicContact CG-CE1 4.49Å; F21-F86 HydrophobicContact CD2-CB 4.45Å; T83-F86 HydrophobicContact CG2-CE1 4.25Å; T83-F86 PolarHBondContact N-O 3.37Å; T83-F86 WeakPolarHBondContact OG1-CD1 3.31Å; T83-F86 PolarHBondContact OG1-N 2.82Å; T83-F86 VanDerWaalsContact OG1-N 3.11Å; T83-F86 PolarHBondContact OG1-O 3.17Å; T83-F86 VanDerWaalsContact OG1-O 3.13Å; F86-M88 HydrophobicContact CD2-CB 4.32Å; F86-M88 HydrophobicContact CD2-CE 4.42Å; F86-M88 HydrophobicContact CE2-CB 3.94Å; F86-M88 HydrophobicContact CE2-CE 3.59Å; F86-M88 HydrophobicContact CZ-CE 4.32Å; F86-I188 HydrophobicContact CD2-CG2 4.03Å; F86-L189 CarbonylContact C-O 3.48Å; F86-L189 WeakPolarHBondContact CA-O 3.18Å; F86-L189 VanDerWaalsContact CB-O 3.31Å; F86-L189 WeakPolarHBondContact CB-O 3.45Å; F86-A190 HydrophobicContact CB-CB 3.86Å; F86-I257 HydrophobicContact CE1-CG1 4.46Å; F86-I257 HydrophobicContact CZ-CD1 4.16Å; F86-I257 HydrophobicContact CZ-CG1 4.14Å
87S98.3Very high96.5Very high11 Ų1137.5 Ų37.58%0.07721%0.209CC..EExtended strand (participates in β ladder)trans-116152.6167.562.50000110.4I188 L189S87-I188 WeakPolarHBondContact O-CA 3.29Å; S87-L189 PolarHBondContact N-O 3.48Å; S87-L189 PolarHBondContact O-N 3.44Å
88M98.8Very high96.4Very high0 Ų037.2 Ų37.20%022%0.215CC..EExtended strand (participates in β ladder)trans-142.3133177.9-175.9-177.2-42.800110.8I10 I13 A14 I80 C81 F86 L186 D187 I188I10-M88 HydrophobicContact CD1-SD 3.46Å; I10-M88 WeakPolarHBondContact CD1-SD 3.35Å; I10-M88 HydrophobicContact CG1-SD 4.16Å; I13-M88 HydrophobicContact CG2-CE 4.02Å; A14-M88 VanDerWaalsContact CA-CE 3.46Å; A14-M88 HydrophobicContact CB-CE 3.52Å; A14-M88 HydrophobicContact CB-SD 4.47Å; I80-M88 HydrophobicContact CB-CG 4.34Å; I80-M88 WeakPolarHBondContact CB-O 3.35Å; I80-M88 HydrophobicContact CD1-CG 4.24Å; I80-M88 HydrophobicContact CD1-SD 4.42Å; I80-M88 HydrophobicContact CG2-SD 4.28Å; I80-M88 PolarHBondContact N-O 3.46Å; C81-M88 PolarHBondContact N-O 3.47Å; C81-M88 PolarHBondContact O-N 3.23Å; F86-M88 HydrophobicContact CD2-CB 4.32Å; F86-M88 HydrophobicContact CD2-CE 4.42Å; F86-M88 HydrophobicContact CE2-CB 3.94Å; F86-M88 HydrophobicContact CE2-CE 3.59Å; F86-M88 HydrophobicContact CZ-CE 4.32Å; M88-L186 HydrophobicContact CG-CD1 3.85Å; M88-L186 HydrophobicContact SD-CD1 4.14Å; M88-D187 WeakPolarHBondContact CA-O 3.32Å; M88-I188 HydrophobicContact CB-CG1 4.45Å; M88-I188 HydrophobicContact CE-CD1 4Å; M88-I188 HydrophobicContact CE-CG1 4.12Å; M88-I188 HydrophobicContact CG-CG1 3.98Å; M88-I188 HydrophobicContact SD-CG1 4.46Å
89G98.5Very high96.4Very high1 Ų136.9 Ų36.91%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-162.8-176.7173.900000112.6M78 D187M78-G89 CarbonylContact O-C 3.51Å; M78-G89 WeakPolarHBondContact O-CA 3.15Å; G89-D187 PolarHBondContact N-O 3.2Å; G89-D187 VanDerWaalsContact N-O 3.09Å; G89-D187 PolarHBondContact O-N 3.21Å
90V98.8Very high96.4Very high0 Ų033.6 Ų33.60%020%0.2CC..EExtended strand (participates in β ladder)trans-123.6127.7180179.10000109.4L54 I56 Y77 M78 I80 L92 L114 A184 F185 L186L54-V90 HydrophobicContact CD1-CG2 4.21Å; I56-V90 HydrophobicContact CD1-CB 4.24Å; I56-V90 HydrophobicContact CD1-CG1 3.83Å; I56-V90 HydrophobicContact CD1-CG2 3.99Å; Y77-V90 CarbonylContact C-O 3.46Å; Y77-V90 WeakPolarHBondContact CA-O 3.39Å; M78-V90 HydrophobicContact CB-CB 4.33Å; M78-V90 PolarHBondContact N-O 3.05Å; M78-V90 PolarHBondContact O-N 3.37Å; I80-V90 HydrophobicContact CD1-CG2 3.91Å; V90-L92 HydrophobicContact CG1-CD1 3.94Å; V90-L114 HydrophobicContact CG1-CD1 3.74Å; V90-L114 HydrophobicContact CG2-CD1 3.96Å; V90-A184 HydrophobicContact CG1-CB 4.18Å; V90-F185 VanDerWaalsContact CA-O 3.31Å; V90-F185 WeakPolarHBondContact CA-O 3.46Å; V90-F185 WeakPolarHBondContact CG1-O 3.37Å; V90-L186 HydrophobicContact CG2-CD1 3.97Å
91F98.5Very high96.3Very high41 Ų4133 Ų3318%0.1820%0.197CC..EExtended strand (participates in β ladder)trans-94138.3168.9-70.3-89.9000110.2V75 T76 Y77 L93 I99 A184 F185 D187V75-F91 HydrophobicContact CG1-CB 4.29Å; V75-F91 HydrophobicContact CG1-CD1 3.78Å; T76-F91 CarbonylContact O-C 3.6Å; T76-F91 WeakPolarHBondContact O-CA 3.32Å; Y77-F91 AromaticContact CD2-CD1 3.99Å; Y77-F91 HydrophobicContact CD2-CD1 3.99Å; Y77-F91 AromaticContact CD2-CD2 3.95Å; Y77-F91 HydrophobicContact CD2-CD2 3.95Å; Y77-F91 AromaticContact CD2-CE1 3.73Å; Y77-F91 HydrophobicContact CD2-CE1 3.73Å; Y77-F91 AromaticContact CD2-CE2 3.69Å; Y77-F91 HydrophobicContact CD2-CE2 3.69Å; Y77-F91 HydrophobicContact CD2-CG 4.11Å; Y77-F91 AromaticContact CD2-CZ 3.58Å; Y77-F91 HydrophobicContact CD2-CZ 3.58Å; Y77-F91 HydrophobicContact CE2-CD2 4.28Å; Y77-F91 AromaticContact CE2-CE2 3.79Å; Y77-F91 HydrophobicContact CE2-CE2 3.79Å; Y77-F91 AromaticContact CE2-CZ 3.94Å; Y77-F91 HydrophobicContact CE2-CZ 3.94Å; Y77-F91 HydrophobicContact CG-CE1 4.32Å; Y77-F91 HydrophobicContact CG-CZ 4.47Å; F91-L93 HydrophobicContact CB-CD1 4.09Å; F91-I99 HydrophobicContact CD1-CD1 4.24Å; F91-I99 HydrophobicContact CG-CD1 4.38Å; F91-A184 CarbonylContact O-C 3.5Å; F91-A184 WeakPolarHBondContact O-CA 3.37Å; F91-A184 WeakPolarHBondContact O-CB 3.33Å; F91-F185 HydrophobicContact CB-CD1 4.34Å; F91-F185 HydrophobicContact CB-CD2 4.23Å; F91-F185 HydrophobicContact CB-CE1 3.83Å; F91-F185 HydrophobicContact CB-CE2 3.72Å; F91-F185 HydrophobicContact CB-CZ 3.5Å; F91-F185 VanDerWaalsContact CB-CZ 3.5Å; F91-F185 HydrophobicContact CD2-CD2 4.24Å; F91-F185 AromaticContact CD2-CE2 3.41Å; F91-F185 HydrophobicContact CD2-CE2 3.41Å; F91-F185 VanDerWaalsContact CD2-CE2 3.41Å; F91-F185 AromaticContact CD2-CZ 3.8Å; F91-F185 HydrophobicContact CD2-CZ 3.8Å; F91-F185 HydrophobicContact CE2-CE2 4.32Å; F91-F185 AromaticContact CG-CE2 3.87Å; F91-F185 HydrophobicContact CG-CE2 3.87Å; F91-F185 AromaticContact CG-CZ 3.8Å; F91-F185 HydrophobicContact CG-CZ 3.8Å; F91-F185 PolarHBondContact N-O 3.46Å; F91-F185 PolarHBondContact O-N 3.34Å; F91-D187 HydrophobicContact CD2-CB 4.03Å; F91-D187 HydrophobicContact CE2-CB 4.03Å
92L97.9Very high96.3Very high26 Ų2633 Ų3314%0.13620%0.196CC..EExtended strand (participates in β ladder)trans-119.6117174.5-65.481.2000108.4V75 T76 M78 V90 A184V75-L92 CarbonylContact C-O 3.57Å; V75-L92 VanDerWaalsContact CA-O 3.27Å; V75-L92 WeakPolarHBondContact CA-O 3.34Å; T76-L92 PolarHBondContact N-O 2.77Å; T76-L92 PolarHBondContact O-N 3.43Å; M78-L92 HydrophobicContact CE-CD1 3.68Å; M78-L92 HydrophobicContact CE-CD2 3.72Å; M78-L92 HydrophobicContact CE-CG 4.4Å; M78-L92 HydrophobicContact CG-CD1 3.93Å; M78-L92 HydrophobicContact SD-CD1 3.87Å; V90-L92 HydrophobicContact CG1-CD1 3.94Å; L92-A184 HydrophobicContact CG-CB 4.05Å
93L96.7Very high96.3Very high3 Ų327.5 Ų27.52%0.01617%0.17CC..EExtended strand (participates in β ladder)trans-101.6132.5-179.8-74.467.9000108.8V75 F91 I99 I176 A178 P182 A183 F185V75-L93 HydrophobicContact CG1-CD1 4.07Å; V75-L93 HydrophobicContact CG1-CG 4.38Å; V75-L93 HydrophobicContact CG2-CG 3.94Å; F91-L93 HydrophobicContact CB-CD1 4.09Å; L93-I99 HydrophobicContact CD1-CD1 4.07Å; L93-I99 HydrophobicContact CD1-CG1 4.47Å; L93-I99 HydrophobicContact CD2-CG1 4.34Å; L93-I99 HydrophobicContact CG-CG1 4.48Å; L93-I176 HydrophobicContact CD2-CG2 4.2Å; L93-A178 HydrophobicContact CB-CB 3.96Å; L93-A178 HydrophobicContact CD2-CB 4.19Å; L93-P182 VanDerWaalsContact O-CA 3.22Å; L93-P182 WeakPolarHBondContact O-CA 3.45Å; L93-P182 WeakPolarHBondContact O-CB 3.41Å; L93-A183 PolarHBondContact N-O 3.49Å; L93-A183 PolarHBondContact O-N 3.41Å; L93-F185 HydrophobicContact CD1-CD1 4.03Å; L93-F185 HydrophobicContact CD1-CE1 3.47Å; L93-F185 VanDerWaalsContact CD1-CE1 3.47Å; L93-F185 HydrophobicContact CD1-CZ 4.35Å
94K93.8Very high96.3Very high81 Ų8126.4 Ų26.435%0.35216%0.163SC..PPolyproline II helixtrans-70.7159.7168.3-67.4173.7179.1163.60110.7S72 P73 P74 G96 T97S72-K94 VanDerWaalsContact C-NZ 3.26Å; S72-K94 VanDerWaalsContact CB-NZ 3.31Å; S72-K94 PolarHBondContact O-NZ 3.49Å; S72-K94 PolarHBondContact OG-NZ 2.97Å; P73-K94 WeakPolarHBondContact O-CE 3.43Å; P73-K94 PolarHBondContact O-NZ 3.09Å; P74-K94 PolarHBondContact O-N 3.24Å; K94-G96 PolarHBondContact O-N 2.97Å; K94-T97 HydrophobicContact CB-CG2 3.75Å; K94-T97 PolarHBondContact N-OG1 3.22Å; K94-T97 VanDerWaalsContact N-OG1 3.11Å; K94-T97 PolarHBondContact O-N 2.79Å; K94-T97 VanDerWaalsContact O-N 3.12Å; K94-T97 PolarHBondContact O-OG1 2.83Å
95A92.1Very high96.4Very high65 Ų6521.9 Ų21.954%0.53715%0.145SC..THydrogen-bonded Turntrans-56.5129.5175.400000111.2T97A95-T97 VanDerWaalsContact C-N 3.27Å; A95-T97 PolarHBondContact O-N 3.06Å
96G88.1Confident96.2Very high70 Ų7023.8 Ų23.872%0.72217%0.166SC*.THydrogen-bonded Turntrans72.713.8179.600000115.1K94K94-G96 PolarHBondContact O-N 2.97Å
97T93Very high96.1Very high25 Ų2523.8 Ų23.815%0.15317%0.166CC..  trans-99.1158.3173.164.20000111.8P74 K94 A95 A178P74-T97 HydrophobicContact CB-CG2 3.75Å; P74-T97 PolarHBondContact O-OG1 2.69Å; K94-T97 HydrophobicContact CB-CG2 3.75Å; K94-T97 PolarHBondContact N-OG1 3.22Å; K94-T97 VanDerWaalsContact N-OG1 3.11Å; K94-T97 PolarHBondContact O-N 2.79Å; K94-T97 VanDerWaalsContact O-N 3.12Å; K94-T97 PolarHBondContact O-OG1 2.83Å; A95-T97 VanDerWaalsContact C-N 3.27Å; A95-T97 PolarHBondContact O-N 3.06Å; T97-A178 WeakPolarHBondContact O-CB 3.36Å; T97-A178 PolarHBondContact O-N 3.06Å
98S95.1Very high96.1Very high46 Ų4625.3 Ų25.332%0.32217%0.173SC..EExtended strand (participates in β ladder)trans-132.7144.4-179.2-51.60000110P100 I176 D177 F243S98-P100 WeakPolarHBondContact O-CD 3.22Å; S98-I176 CarbonylContact C-O 3.44Å; S98-I176 VanDerWaalsContact CA-O 3.24Å; S98-I176 WeakPolarHBondContact CA-O 3.11Å; S98-D177 WeakPolarHBondContact CB-OD1 3.37Å; S98-D177 PolarHBondContact OG-OD1 3.12Å; S98-F243 WeakPolarHBondContact O-CD2 3.42Å
99I97.8Very high96Very high10 Ų1025.5 Ų25.55%0.05118%0.175CC..EExtended strand (participates in β ladder)trans-84.2116.3157.1-59.8171.9000105.8V75 F91 L93 H102 Q175 I176 F185 F243V75-I99 HydrophobicContact CG1-CD1 4.35Å; V75-I99 HydrophobicContact CG1-CG1 4.35Å; V75-I99 HydrophobicContact CG2-CG1 4.03Å; F91-I99 HydrophobicContact CD1-CD1 4.24Å; F91-I99 HydrophobicContact CG-CD1 4.38Å; L93-I99 HydrophobicContact CD1-CD1 4.07Å; L93-I99 HydrophobicContact CD1-CG1 4.47Å; L93-I99 HydrophobicContact CD2-CG1 4.34Å; L93-I99 HydrophobicContact CG-CG1 4.48Å; I99-H102 WeakPolarHBondContact CG2-CE1 3.35Å; I99-Q175 WeakPolarHBondContact O-CG 3.14Å; I99-I176 HydrophobicContact CB-CB 4.27Å; I99-I176 HydrophobicContact CD1-CD1 4.19Å; I99-I176 PolarHBondContact N-O 2.87Å; I99-I176 PolarHBondContact O-N 3.3Å; I99-I176 VanDerWaalsContact O-N 3.11Å; I99-F185 HydrophobicContact CD1-CE1 3.92Å; I99-F185 HydrophobicContact CD1-CZ 3.56Å; I99-F243 HydrophobicContact CB-CE2 4.3Å; I99-F243 HydrophobicContact CB-CZ 4.46Å; I99-F243 HydrophobicContact CG1-CE2 4.05Å; I99-F243 HydrophobicContact CG1-CZ 4.31Å; I99-F243 HydrophobicContact CG2-CE2 4.3Å; I99-F243 HydrophobicContact CG2-CZ 3.98Å
100P97.8Very high96Very high23 Ų2325.5 Ų25.515%0.14918%0.175CC..EExtended strand (participates in β ladder)trans-58.5161.6-176.3-21.630.9000112S98 H102 Y203 P240 F243S98-P100 WeakPolarHBondContact O-CD 3.22Å; P100-H102 PolarHBondContact O-N 3.07Å; P100-H102 VanDerWaalsContact O-N 3.12Å; P100-H102 PolarHBondContact O-ND1 2.79Å; P100-Y203 HydrophobicContact CB-CD1 3.99Å; P100-Y203 HydrophobicContact CB-CE1 4.42Å; P100-Y203 HydrophobicContact CG-CD1 4.43Å; P100-Y203 HydrophobicContact CG-CE1 4.48Å; P100-P240 HydrophobicContact CB-CG 4.06Å; P100-P240 HydrophobicContact CG-CG 3.87Å; P100-F243 HydrophobicContact CG-CB 3.7Å; P100-F243 HydrophobicContact CG-CD1 3.98Å; P100-F243 HydrophobicContact CG-CD2 4.05Å; P100-F243 HydrophobicContact CG-CG 3.62Å
101L97.9Very high96Very high5 Ų525.7 Ų25.73%0.02618%0.175CC..EExtended strand (participates in β ladder)trans-56.6120176.6179.562.6000110.4L123 L173 H174 Q175 Y203 Y204 V206 L234L101-L123 HydrophobicContact CD1-CD1 3.72Å; L101-L123 HydrophobicContact CD2-CD1 4.25Å; L101-L173 HydrophobicContact CD1-CB 3.97Å; L101-H174 WeakPolarHBondContact CA-O 3.38Å; L101-H174 VanDerWaalsContact CD1-C 3.46Å; L101-Q175 HydrophobicContact CB-CB 4.23Å; L101-Q175 HydrophobicContact CD1-CB 4.48Å; L101-Y203 CarbonylContact O-C 3.54Å; L101-Y203 WeakPolarHBondContact O-CA 3.38Å; L101-Y204 PolarHBondContact O-N 3.06Å; L101-V206 HydrophobicContact CD2-CG2 3.95Å; L101-L234 HydrophobicContact CD2-CD1 4.47Å; L101-L234 HydrophobicContact CD2-CD2 3.6Å
102H97.9Very high96Very high13 Ų1323.8 Ų23.86%0.0617%0.167CC..EExtended strand (participates in β ladder)trans-142.3166.3-178.562.3-75.8000111.6I99 P100 H104 L173 H174 H202 Y203I99-H102 WeakPolarHBondContact CG2-CE1 3.35Å; P100-H102 PolarHBondContact O-N 3.07Å; P100-H102 VanDerWaalsContact O-N 3.12Å; P100-H102 PolarHBondContact O-ND1 2.79Å; H102-H104 AromaticContact CD2-CE1 3.93Å; H102-H104 AromaticContact CD2-NE2 3.43Å; H102-H104 PolarHBondContact CD2-NE2 2.87Å; H102-H104 AromaticContact NE2-CE1 3.7Å; H102-H104 AromaticContact NE2-NE2 3.17Å; H102-H104 PolarHBondContact NE2-NE2 3.37Å; H102-H104 VanDerWaalsContact NE2-NE2 3.17Å; H102-L173 CarbonylContact O-C 3.5Å; H102-L173 WeakPolarHBondContact O-CA 3.31Å; H102-H174 AromaticContact CE1-CD2 3.34Å; H102-H174 PolarHBondContact CE1-CD2 3.18Å; H102-H174 AromaticContact CE1-NE2 3.47Å; H102-H174 PolarHBondContact CE1-NE2 2.78Å; H102-H174 PolarHBondContact N-O 3.49Å; H102-H174 VanDerWaalsContact N-O 3.12Å; H102-H174 PolarHBondContact ND1-O 3.04Å; H102-H174 AromaticContact NE2-CD2 3.46Å; H102-H174 PolarHBondContact NE2-CD2 3.36Å; H102-H174 AromaticContact NE2-NE2 3.23Å; H102-H174 PolarHBondContact NE2-NE2 2.82Å; H102-H174 PolarHBondContact O-N 2.97Å; H102-H202 CarbonylContact C-O 3.59Å; H102-H202 WeakPolarHBondContact CA-O 3.44Å; H102-H202 WeakPolarHBondContact CB-O 3.23Å; H102-Y203 HydrophobicContact CB-CD1 3.92Å; H102-Y203 HydrophobicContact CB-CE1 4.07Å
103D97.4Very high96Very high1 Ų122.6 Ų22.61%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-111170.3178.668.9-0.4000114.6K125 L173 Y193 H202 Y204D103-K125 IonicContact OD2-NZ 3.22Å; D103-K125 PolarHBondContact OD2-NZ 3.35Å; D103-L173 HydrophobicContact CB-CD2 4.14Å; D103-L173 HydrophobicContact CB-CG 3.86Å; D103-Y193 PolarHBondContact O-OH 2.94Å; D103-H202 PolarHBondContact N-O 3.01Å; D103-H202 VanDerWaalsContact N-O 3.15Å; D103-H202 WeakPolarHBondContact OD1-CB 3.45Å; D103-H202 IonicContact OD1-CG 3.43Å; D103-H202 PolarHBondContact OD1-N 3Å; D103-H202 IonicContact OD1-ND1 3.6Å; D103-H202 PolarHBondContact OD1-ND1 3.04Å; D103-H202 IonicContact OD2-ND1 3.75Å; D103-Y204 HydrophobicContact CB-CE2 3.77Å; D103-Y204 PolarHBondContact OD2-OH 3.42Å
104H96.7Very high96.1Very high3 Ų322.6 Ų22.61%0.01416%0.161CC..  trans-132.969179.6-66.6-89.3000110.5H102 G106 M107 L166 N172 H174 Y193H102-H104 AromaticContact CD2-CE1 3.93Å; H102-H104 AromaticContact CD2-NE2 3.43Å; H102-H104 PolarHBondContact CD2-NE2 2.87Å; H102-H104 AromaticContact NE2-CE1 3.7Å; H102-H104 AromaticContact NE2-NE2 3.17Å; H102-H104 PolarHBondContact NE2-NE2 3.37Å; H102-H104 VanDerWaalsContact NE2-NE2 3.17Å; H104-G106 PolarHBondContact O-N 2.9Å; H104-G106 VanDerWaalsContact O-N 3.1Å; H104-M107 HydrophobicContact CB-CB 4.08Å; H104-M107 HydrophobicContact CB-SD 4.23Å; H104-M107 PolarHBondContact O-N 3.26Å; H104-M107 VanDerWaalsContact O-N 3.08Å; H104-L166 HydrophobicContact CB-CD1 3.93Å; H104-N172 PolarHBondContact CD2-O 3.15Å; H104-N172 PolarHBondContact N-O 2.64Å; H104-N172 PolarHBondContact N-OD1 3.02Å; H104-N172 PolarHBondContact O-ND2 3.27Å; H104-H174 AromaticContact CD2-NE2 3.73Å; H104-H174 AromaticContact CE1-NE2 3.92Å; H104-H174 AromaticContact NE2-CD2 3.66Å; H104-H174 AromaticContact NE2-CE1 3.65Å; H104-H174 AromaticContact NE2-NE2 2.92Å; H104-H174 PolarHBondContact NE2-NE2 2.75Å; H104-Y193 AromaticContact CE1-CZ 3.92Å; H104-Y193 PolarHBondContact CE1-OH 3.2Å; H104-Y193 AromaticContact ND1-CZ 3.53Å; H104-Y193 PolarHBondContact ND1-OH 3.36Å
105P94.7Very high96.3Very high29 Ų2919.3 Ų19.319%0.18815%0.147CC..THydrogen-bonded Turntrans-58.8117-167.1-24.434.8000113.2M107 R199 D200P105-M107 VanDerWaalsContact C-N 3.26Å; P105-M107 WeakPolarHBondContact O-CG 3.11Å; P105-M107 PolarHBondContact O-N 2.85Å; P105-R199 WeakPolarHBondContact O-CG 3.39Å; P105-D200 WeakPolarHBondContact CD-O 3.45Å; P105-D200 WeakPolarHBondContact CG-O 3.44Å
106G93.6Very high96.6Very high47 Ų4717.7 Ų17.749%0.48514%0.136SC..THydrogen-bonded Turntrans72.714.4177.500000114.9H104H104-G106 PolarHBondContact O-N 2.9Å; H104-G106 VanDerWaalsContact O-N 3.1Å
107M95.8Very high97.1Very high0 Ų017.9 Ų17.90%012%0.117CC..  trans-111.3150.1-172.3-59.315764.400112.1H104 P105 L166 T167 P168 L189 P191 Y193H104-M107 HydrophobicContact CB-CB 4.08Å; H104-M107 HydrophobicContact CB-SD 4.23Å; H104-M107 PolarHBondContact O-N 3.26Å; H104-M107 VanDerWaalsContact O-N 3.08Å; P105-M107 VanDerWaalsContact C-N 3.26Å; P105-M107 WeakPolarHBondContact O-CG 3.11Å; P105-M107 PolarHBondContact O-N 2.85Å; M107-L166 WeakPolarHBondContact O-CD1 3.36Å; M107-T167 CarbonylContact O-C 3.52Å; M107-P168 VanDerWaalsContact O-CD 3.31Å; M107-P168 WeakPolarHBondContact O-CD 3.46Å; M107-P168 VanDerWaalsContact O-N 3.15Å; M107-L189 HydrophobicContact CE-CB 3.64Å; M107-L189 HydrophobicContact CE-CD1 3.67Å; M107-L189 HydrophobicContact CE-CD2 4.3Å; M107-L189 HydrophobicContact CE-CG 4.07Å; M107-P191 WeakPolarHBondContact CE-O 3.49Å; M107-P191 HydrophobicContact CG-CG 4.44Å; M107-P191 WeakPolarHBondContact CG-O 3.11Å; M107-Y193 HydrophobicContact CE-CD1 3.82Å; M107-Y193 HydrophobicContact CE-CD2 3.87Å; M107-Y193 HydrophobicContact CE-CE1 3.89Å; M107-Y193 HydrophobicContact CE-CE2 3.92Å; M107-Y193 HydrophobicContact CE-CG 3.84Å; M107-Y193 HydrophobicContact SD-CD1 3.56Å; M107-Y193 VanDerWaalsContact SD-CD1 3.56Å; M107-Y193 HydrophobicContact SD-CE1 3.65Å; M107-Y193 HydrophobicContact SD-CG 4.13Å
108N96.8Very high97.3Very high43 Ų4316.7 Ų16.723%0.2311%0.109CC..EExtended strand (participates in β ladder)trans-97.3147.2162.1-60.9-89.1000108.4F21 L166 L189 A190F21-N108 HydrophobicContact CE1-CB 3.77Å; F21-N108 HydrophobicContact CZ-CB 4.34Å; N108-L166 WeakPolarHBondContact CA-O 3.23Å; N108-L189 CarbonylContact O-C 3.58Å; N108-L189 WeakPolarHBondContact O-CA 3.45Å; N108-A190 PolarHBondContact N-O 3.36Å; N108-A190 PolarHBondContact O-N 2.76Å
109G96.7Very high97.5Very high3 Ų316.9 Ų16.93%0.03111%0.107CC..EExtended strand (participates in β ladder)trans-142.6150.6-177.800000113.5L165 L166 I188G109-L165 WeakPolarHBondContact O-CA 3.43Å; G109-L166 VanDerWaalsContact N-CD1 3.25Å; G109-L166 PolarHBondContact N-O 2.86Å; G109-L166 PolarHBondContact O-N 3.14Å; G109-I188 CarbonylContact C-O 3.57Å; G109-I188 VanDerWaalsContact CA-O 3.23Å; G109-I188 WeakPolarHBondContact CA-O 3.1Å
110M98.6Very high97.5Very high2 Ų216.5 Ų16.51%0.0111%0.105CC..EExtended strand (participates in β ladder)trans-135.9114.3175-55.4-168.7170.900110.7F21 F39 L42 I43 V46 P163 C164 L165 D187 I188F21-M110 HydrophobicContact CZ-CE 4.16Å; F39-M110 HydrophobicContact CD2-CE 3.86Å; F39-M110 HydrophobicContact CE1-CE 4.24Å; F39-M110 HydrophobicContact CE2-CE 3.25Å; F39-M110 HydrophobicContact CZ-CE 3.48Å; F39-M110 VanDerWaalsContact CZ-CE 3.48Å; L42-M110 HydrophobicContact CB-CE 4.49Å; L42-M110 HydrophobicContact CD2-CE 3.6Å; L42-M110 HydrophobicContact CD2-SD 3.84Å; L42-M110 HydrophobicContact CG-CE 3.93Å; L42-M110 HydrophobicContact CG-SD 3.83Å; I43-M110 HydrophobicContact CG1-CE 4.09Å; V46-M110 HydrophobicContact CG2-SD 4.27Å; M110-P163 HydrophobicContact CB-CB 4.49Å; M110-C164 WeakPolarHBondContact CA-O 3.45Å; M110-L165 HydrophobicContact CB-CD2 4.16Å; M110-L165 HydrophobicContact CE-CD2 4.16Å; M110-L165 HydrophobicContact CG-CD2 3.62Å; M110-L165 HydrophobicContact SD-CD2 4.19Å; M110-D187 WeakPolarHBondContact O-CA 3.24Å; M110-I188 HydrophobicContact CB-CB 4.35Å; M110-I188 PolarHBondContact N-O 3.2Å; M110-I188 PolarHBondContact O-N 2.7Å
111L98.4Very high97.5Very high3 Ų319.1 Ų19.12%0.01611%0.112CC..EExtended strand (participates in β ladder)trans-105.6119176.1-179.5158.9000110.3V113 V118 P163 C164 I176 F185 L186L111-V113 HydrophobicContact CD2-CG2 4.12Å; L111-V118 HydrophobicContact CD2-CG2 4.46Å; L111-P163 CarbonylContact O-C 3.51Å; L111-P163 WeakPolarHBondContact O-CA 3.49Å; L111-P163 WeakPolarHBondContact O-CB 3.37Å; L111-C164 HydrophobicContact CB-CB 4.23Å; L111-C164 PolarHBondContact N-O 3.23Å; L111-C164 PolarHBondContact O-N 3.17Å; L111-I176 HydrophobicContact CD1-CD1 3.46Å; L111-I176 VanDerWaalsContact CD1-CD1 3.46Å; L111-I176 HydrophobicContact CD1-CG1 4.18Å; L111-F185 HydrophobicContact CD1-CD1 4.17Å; L111-F185 HydrophobicContact CD1-CD2 3.66Å; L111-F185 HydrophobicContact CD1-CE1 4.11Å; L111-F185 HydrophobicContact CD1-CE2 3.59Å; L111-F185 HydrophobicContact CD1-CG 3.94Å; L111-F185 HydrophobicContact CD1-CZ 3.83Å; L111-F185 HydrophobicContact CD2-CB 3.9Å; L111-F185 HydrophobicContact CD2-CD2 4.29Å; L111-F185 HydrophobicContact CD2-CG 4.04Å; L111-F185 HydrophobicContact CG-CB 4.01Å; L111-F185 HydrophobicContact CG-CD1 4.41Å; L111-F185 HydrophobicContact CG-CD2 3.49Å; L111-F185 VanDerWaalsContact CG-CD2 3.49Å; L111-F185 HydrophobicContact CG-CE2 3.94Å; L111-F185 HydrophobicContact CG-CG 3.74Å; L111-L186 CarbonylContact C-O 3.55Å; L111-L186 WeakPolarHBondContact CA-O 3.31Å
112K98.8Very high97.5Very high1 Ų118.9 Ų18.90%0.00411%0.111CC..EExtended strand (participates in β ladder)trans-122114.3175.5177.671.6-174.191.60111.7V46 T47 V49 L114 S158 E159 S161 P163 F185 L186V46-K112 HydrophobicContact CG1-CB 3.6Å; V46-K112 HydrophobicContact CG1-CG 4.14Å; V46-K112 WeakPolarHBondContact O-CG 3.48Å; T47-K112 WeakPolarHBondContact O-CE 3.44Å; V49-K112 HydrophobicContact CG1-CG 3.98Å; K112-L114 PolarHBondContact O-N 3.12Å; K112-S158 PolarHBondContact NZ-O 2.52Å; K112-E159 VanDerWaalsContact NZ-C 3.32Å; K112-E159 PolarHBondContact NZ-O 2.97Å; K112-S161 WeakPolarHBondContact CD-O 3.39Å; K112-S161 WeakPolarHBondContact CE-O 3.38Å; K112-S161 PolarHBondContact NZ-O 3.14Å; K112-P163 HydrophobicContact CB-CB 4.43Å; K112-F185 CarbonylContact O-C 3.58Å; K112-F185 WeakPolarHBondContact O-CA 3.36Å; K112-F185 WeakPolarHBondContact O-CB 3.47Å; K112-L186 HydrophobicContact CB-CB 4.48Å; K112-L186 PolarHBondContact N-O 2.92Å; K112-L186 PolarHBondContact O-N 3.32Å
113V98.8Very high97.4Very high2 Ų218.5 Ų18.51%0.01211%0.109CC..EExtended strand (participates in β ladder)trans-62.3131.6173.4-179.10000110.7L111 Y115 G116 V118 E159 F185L111-V113 HydrophobicContact CD2-CG2 4.12Å; V113-Y115 WeakPolarHBondContact CG1-O 3.36Å; V113-G116 WeakPolarHBondContact CG1-O 3.4Å; V113-V118 HydrophobicContact CG2-CG2 3.61Å; V113-E159 WeakPolarHBondContact O-CA 3.38Å; V113-F185 HydrophobicContact CG2-CB 4.38Å
114L98.7Very high97.3Very high3 Ų319 Ų192%0.01611%0.112CC..EExtended strand (participates in β ladder)trans-101.3-34-178.6-64.3172.3000112.3V49 A51 L54 I56 V90 K112 A184 L186V49-L114 HydrophobicContact CG1-CD2 3.92Å; A51-L114 HydrophobicContact CB-CB 4.21Å; L54-L114 HydrophobicContact CD1-CD1 3.39Å; L54-L114 HydrophobicContact CD1-CD2 3.66Å; L54-L114 HydrophobicContact CD1-CG 4.17Å; I56-L114 HydrophobicContact CD1-CD1 4.11Å; V90-L114 HydrophobicContact CG1-CD1 3.74Å; V90-L114 HydrophobicContact CG2-CD1 3.96Å; K112-L114 PolarHBondContact O-N 3.12Å; L114-A184 PolarHBondContact N-O 3.01Å; L114-L186 HydrophobicContact CD1-CB 4.28Å; L114-L186 HydrophobicContact CD2-CB 4.27Å; L114-L186 HydrophobicContact CG-CB 4.33Å
115Y98.2Very high97.1Very high12 Ų1222 Ų225%0.04713%0.125CC..EExtended strand (participates in β ladder)trans-158.2162169.667.3-102.4000110.4A51 I56 P58 V113 E159 A183 A184A51-Y115 HydrophobicContact CB-CD1 4.27Å; I56-Y115 HydrophobicContact CG2-CD1 4.21Å; I56-Y115 HydrophobicContact CG2-CE1 3.65Å; P58-Y115 HydrophobicContact CB-CD1 4.16Å; P58-Y115 HydrophobicContact CB-CD2 3.96Å; P58-Y115 HydrophobicContact CB-CE2 4.4Å; P58-Y115 HydrophobicContact CB-CG 3.84Å; P58-Y115 HydrophobicContact CG-CD1 3.84Å; P58-Y115 HydrophobicContact CG-CD2 4.36Å; P58-Y115 HydrophobicContact CG-CG 3.73Å; V113-Y115 WeakPolarHBondContact CG1-O 3.36Å; Y115-E159 WeakPolarHBondContact CA-OE2 3.03Å; Y115-A183 WeakPolarHBondContact O-CA 3.47Å; Y115-A184 HydrophobicContact CD1-CB 3.8Å; Y115-A184 HydrophobicContact CE1-CB 3.23Å; Y115-A184 HydrophobicContact CE2-CB 4.15Å; Y115-A184 HydrophobicContact CG-CB 4.47Å; Y115-A184 VanDerWaalsContact CZ-CB 3.42Å; Y115-A184 PolarHBondContact N-O 3.47Å; Y115-A184 PolarHBondContact O-N 2.95Å; Y115-A184 VanDerWaalsContact O-N 3.12Å
116G97.5Very high96.9Very high30 Ų3022.9 Ų22.931%0.30913%0.128SC..EExtended strand (participates in β ladder)trans71.8-158-177.800000111.4V113V113-G116 WeakPolarHBondContact CG1-O 3.4Å
117K98.2Very high96.1Very high74 Ų7429.2 Ų29.232%0.32215%0.145SC..EExtended strand (participates in β ladder)trans-138.5145.6-178.3-67.9172.9167.7-151.30110.6E156 Y157 V179 A183K117-E156 HydrophobicContact CB-CG 4.44Å; K117-E156 WeakPolarHBondContact CD-OE1 3.49Å; K117-E156 VanDerWaalsContact CE-OE1 3.29Å; K117-E156 WeakPolarHBondContact CE-OE1 3.43Å; K117-E156 IonicContact NZ-OE1 3.75Å; K117-E156 PolarHBondContact NZ-OE1 2.85Å; K117-E156 IonicContact NZ-OE2 3.12Å; K117-Y157 WeakPolarHBondContact CA-O 3.46Å; K117-V179 HydrophobicContact CB-CB 3.89Å; K117-V179 HydrophobicContact CB-CG1 4.43Å; K117-V179 PolarHBondContact O-N 3.08Å; K117-A183 WeakPolarHBondContact O-CB 3.14Å
118V98.6Very high94.6Very high0 Ų035.4 Ų35.40%018%0.178CC..EExtended strand (participates in β ladder)trans-131.3145.5169.3-58.70000110.3L111 V113 V120 E156 Y157 I176 D177 A183 F185L111-V118 HydrophobicContact CD2-CG2 4.46Å; V113-V118 HydrophobicContact CG2-CG2 3.61Å; V118-V120 HydrophobicContact CG2-CG2 3.9Å; V118-E156 CarbonylContact O-C 3.45Å; V118-E156 WeakPolarHBondContact O-CA 3.5Å; V118-Y157 PolarHBondContact N-O 3.47Å; V118-Y157 PolarHBondContact O-N 2.81Å; V118-I176 HydrophobicContact CB-CG2 3.81Å; V118-I176 HydrophobicContact CG1-CG2 4.04Å; V118-I176 HydrophobicContact CG2-CG2 4.09Å; V118-D177 CarbonylContact C-O 3.55Å; V118-D177 WeakPolarHBondContact CA-O 3.4Å; V118-D177 WeakPolarHBondContact CB-O 3.31Å; V118-A183 HydrophobicContact CG1-CB 3.61Å; V118-F185 HydrophobicContact CG1-CD1 4.5Å
119N98.4Very high92.7Very high51 Ų5139.2 Ų39.227%0.27321%0.208SC..EExtended strand (participates in β ladder)trans-95.6125.4165-172.2-23.2000107.7V154 I176 D177 V179N119-V154 VanDerWaalsContact OD1-CG1 3.26Å; N119-V154 WeakPolarHBondContact OD1-CG1 3.44Å; N119-I176 WeakPolarHBondContact O-CA 3.24Å; N119-D177 HydrophobicContact CB-CB 4.4Å; N119-D177 PolarHBondContact N-O 3.1Å; N119-D177 PolarHBondContact O-N 2.83Å; N119-V179 HydrophobicContact CB-CG2 3.81Å
120V98.4Very high91.2Very high1 Ų143.6 Ų43.61%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-111.8121.3177.4-1710000108.4V118 V154 A155 Y157 H174 Q175 I176V118-V120 HydrophobicContact CG2-CG2 3.9Å; V120-V154 WeakPolarHBondContact O-CA 3.22Å; V120-A155 PolarHBondContact N-O 3.13Å; V120-A155 PolarHBondContact O-N 3.34Å; V120-Y157 HydrophobicContact CB-CD2 4.14Å; V120-Y157 HydrophobicContact CB-CE2 4.05Å; V120-Y157 HydrophobicContact CG2-CD2 3.72Å; V120-Y157 HydrophobicContact CG2-CE2 4.08Å; V120-H174 HydrophobicContact CG1-CB 3.98Å; V120-Q175 WeakPolarHBondContact CA-O 3.43Å; V120-I176 HydrophobicContact CG1-CG1 4.28Å; V120-I176 HydrophobicContact CG2-CG1 4.36Å; V120-I176 HydrophobicContact CG2-CG2 4.42Å
121R97.6Very high89.6Confident78 Ų7849 Ų4929%0.29427%0.265SS..EExtended strand (participates in β ladder)trans-106.5111.3175.1176.5174.2-172.6-149.5-0.1109.1L123 L151 V154 H174 Q175R121-L123 HydrophobicContact CG-CD1 3.97Å; R121-L151 HydrophobicContact CG-CD1 3.67Å; R121-V154 HydrophobicContact CB-CG2 4.43Å; R121-V154 HydrophobicContact CG-CG2 4.08Å; R121-H174 CarbonylContact O-C 3.54Å; R121-H174 WeakPolarHBondContact O-CA 3.49Å; R121-H174 WeakPolarHBondContact O-CB 3.33Å; R121-Q175 HydrophobicContact CB-CB 4.49Å; R121-Q175 PolarHBondContact N-O 3.43Å; R121-Q175 PolarHBondContact O-N 3.33Å
122C96.9Very high88.3Confident1 Ų152.8 Ų52.81%0.00729%0.289CS..EExtended strand (participates in β ladder)trans-102.3136.4-177.2-590000112.3R152 S153 D171 L173C122-R152 PolarHBondContact O-N 2.88Å; C122-S153 PolarHBondContact N-O 3.45Å; C122-S153 PolarHBondContact O-N 2.7Å; C122-D171 HydrophobicContact CB-CB 3.83Å; C122-D171 VanDerWaalsContact CB-OD1 3.25Å; C122-D171 WeakPolarHBondContact CB-OD1 3.39Å; C122-L173 CarbonylContact C-O 3.51Å; C122-L173 VanDerWaalsContact CA-O 3.29Å; C122-L173 WeakPolarHBondContact CA-O 3.47Å
123L96.5Very high87Confident4 Ų454.3 Ų54.32%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-132.2159.9176.3-61.696000110.6L101 R121 V150 L151 L173 L234L101-L123 HydrophobicContact CD1-CD1 3.72Å; L101-L123 HydrophobicContact CD2-CD1 4.25Å; R121-L123 HydrophobicContact CG-CD1 3.97Å; L123-V150 WeakPolarHBondContact CA-O 3.38Å; L123-V150 WeakPolarHBondContact CB-O 3.38Å; L123-L151 HydrophobicContact CD1-CD1 4.46Å; L123-L151 HydrophobicContact CG-CD1 4.16Å; L123-L173 HydrophobicContact CB-CB 4.26Å; L123-L173 PolarHBondContact N-O 3.04Å; L123-L173 WeakPolarHBondContact O-CB 3.44Å; L123-L173 WeakPolarHBondContact O-CD1 3.43Å; L123-L173 PolarHBondContact O-N 2.92Å; L123-L234 HydrophobicContact CD2-CD2 4.39Å
124D95.3Very high85.8Confident12 Ų1259.2 Ų59.26%0.06433%0.33CS..EExtended strand (participates in β ladder)trans-125.9145.3169.4-73.8-45.6000110.8S149 V150 R152 Q170 D171 N172D124-S149 CarbonylContact O-C 3.53Å; D124-S149 WeakPolarHBondContact O-CA 3.43Å; D124-V150 HydrophobicContact CB-CG1 4.12Å; D124-V150 PolarHBondContact N-O 3.45Å; D124-V150 PolarHBondContact O-N 3.39Å; D124-R152 HydrophobicContact CB-CG 4.28Å; D124-R152 WeakPolarHBondContact OD2-CD 3.45Å; D124-R152 WeakPolarHBondContact OD2-CG 3.35Å; D124-R152 IonicContact OD2-CZ 2.64Å; D124-R152 IonicContact OD2-NE 3.12Å; D124-R152 PolarHBondContact OD2-NE 3.24Å; D124-R152 VanDerWaalsContact OD2-NE 3.12Å; D124-Q170 VanDerWaalsContact OD1-C 3.26Å; D124-Q170 WeakPolarHBondContact OD1-CA 3.41Å; D124-Q170 WeakPolarHBondContact OD2-CA 3.3Å; D124-D171 VanDerWaalsContact CG-N 3.27Å; D124-D171 PolarHBondContact OD1-N 2.9Å; D124-D171 PolarHBondContact OD2-N 2.81Å; D124-D171 VanDerWaalsContact OD2-N 3.07Å; D124-N172 PolarHBondContact OD1-N 3Å
125K93Very high84.7Confident66 Ų6662.4 Ų62.429%0.28735%0.347SS..EExtended strand (participates in β ladder)trans-71.9139.4169.5-69.1169.7-165.6174.10109.3D103 W147 R148 L173 Y204D103-K125 IonicContact OD2-NZ 3.22Å; D103-K125 PolarHBondContact OD2-NZ 3.35Å; K125-W147 HydrophobicContact CD-CD2 3.88Å; K125-W147 HydrophobicContact CD-CE3 4.14Å; K125-W147 HydrophobicContact CD-CG 4.02Å; K125-W147 HydrophobicContact CG-CB 4.08Å; K125-W147 HydrophobicContact CG-CD2 4.32Å; K125-W147 HydrophobicContact CG-CE3 4.49Å; K125-W147 HydrophobicContact CG-CG 4.14Å; K125-R148 CarbonylContact C-O 3.57Å; K125-R148 WeakPolarHBondContact CA-O 3.21Å; K125-L173 HydrophobicContact CD-CD1 4.43Å; K125-L173 HydrophobicContact CG-CD1 3.82Å; K125-L173 HydrophobicContact CG-CD2 4.41Å; K125-Y204 VanDerWaalsContact CE-OH 3.31Å; K125-Y204 WeakPolarHBondContact CE-OH 3.26Å; K125-Y204 PolarHBondContact NZ-OH 3.07Å
126L89.9Confident83.5Confident47 Ų4763.9 Ų63.925%0.24636%0.358CS..EExtended strand (participates in β ladder)trans-105.3121.7173.6-62.7176.4000109.6N128 R148 V150 E231L126-N128 PolarHBondContact O-N 3.2Å; L126-R148 HydrophobicContact CB-CB 3.94Å; L126-R148 PolarHBondContact N-O 3.43Å; L126-V150 HydrophobicContact CD1-CB 4.19Å; L126-V150 HydrophobicContact CD1-CG1 4.49Å; L126-V150 HydrophobicContact CD2-CB 4.38Å; L126-V150 HydrophobicContact CD2-CG1 3.81Å; L126-V150 HydrophobicContact CG-CB 4.38Å; L126-V150 HydrophobicContact CG-CG1 4.18Å; L126-E231 HydrophobicContact CD1-CG 4.05Å
127E76.3Confident82.4Confident181 Ų18167.5 Ų67.585%0.84639%0.385SS*.  trans-67.9114163.3-84.6179.1152.900108.2
128N66Low81.2Confident129 Ų12967.1 Ų67.169%0.6939%0.386SS*.  trans179.1142.7157.1-86.6-30.6000111.4L126 L130L126-N128 PolarHBondContact O-N 3.2Å; N128-L130 PolarHBondContact O-N 3.03Å; N128-L130 VanDerWaalsContact O-N 3.12Å
129S56.4Low79.9Confident124 Ų12471.4 Ų71.487%0.86741%0.412SS*.  trans-82.476.9178.250.10000112.2
130L65.3Low78.2Confident94 Ų9474.7 Ų74.749%0.49244%0.436SS..PPolyproline II helixtrans-91.5158.2161.7-64.9-172.9000110.2N128 V132 W233N128-L130 PolarHBondContact O-N 3.03Å; N128-L130 VanDerWaalsContact O-N 3.12Å; L130-V132 PolarHBondContact O-N 2.97Å; L130-W233 HydrophobicContact CB-CH2 4.13Å; L130-W233 HydrophobicContact CB-CZ2 4.14Å
131P65.1Low76.6Confident116 Ų11683.2 Ų83.275%0.75348%0.481SS*.PPolyproline II helixtrans-58128.4173.221.6-31.5000110.6W233P131-W233 WeakPolarHBondContact O-CH2 3.47Å; P131-W233 WeakPolarHBondContact O-CZ2 3.37Å
132V69.4Low75.2Confident83 Ų8381.6 Ų81.650%0.50348%0.477SS..PPolyproline II helixtrans-63.3134.5176.7-179.70000108.9L130 L135 V146 W233L130-V132 PolarHBondContact O-N 2.97Å; V132-L135 HydrophobicContact CG1-CD1 4.43Å; V132-L135 HydrophobicContact CG1-CD2 4.28Å; V132-L135 HydrophobicContact CG1-CG 4.34Å; V132-V146 HydrophobicContact CG1-CB 4.01Å; V132-V146 HydrophobicContact CG1-CG1 4.11Å; V132-V146 HydrophobicContact CG1-CG2 3.86Å; V132-W233 HydrophobicContact CG2-CZ3 4.42Å
133P72.9Confident73.9Confident32 Ų3287.2 Ų87.221%0.20851%0.511CS..PPolyproline II helixtrans-66.2163.8178.330.1-37.8000111.1L135 L207 W233P133-L135 PolarHBondContact O-N 3.26Å; P133-L207 HydrophobicContact CG-CD1 4.2Å; P133-W233 VanDerWaalsContact CD-CE2 3.44Å; P133-W233 HydrophobicContact CG-CB 3.96Å; P133-W233 HydrophobicContact CG-CD2 3.76Å; P133-W233 HydrophobicContact CG-CE3 4.34Å; P133-W233 HydrophobicContact CG-CG 3.58Å
134P73.1Confident73.1Confident106 Ų10688.5 Ų88.569%0.68852%0.522SS*.PPolyproline II helixtrans-53.2125.9172.2-2232000110.6
135L74.7Confident72.7Confident70 Ų7090.2 Ų90.237%0.36653%0.533SS..PPolyproline II helixtrans-87.6142-177.9-66.5169.5000111V132 P133 A144 V146 L207 L235V132-L135 HydrophobicContact CG1-CD1 4.43Å; V132-L135 HydrophobicContact CG1-CD2 4.28Å; V132-L135 HydrophobicContact CG1-CG 4.34Å; P133-L135 PolarHBondContact O-N 3.26Å; L135-A144 HydrophobicContact CD1-CB 3.5Å; L135-A144 VanDerWaalsContact CD1-CB 3.5Å; L135-V146 HydrophobicContact CD1-CG2 4.13Å; L135-V146 HydrophobicContact CD2-CG1 4.44Å; L135-V146 HydrophobicContact CD2-CG2 3.49Å; L135-V146 VanDerWaalsContact CD2-CG2 3.49Å; L135-V146 HydrophobicContact CG-CG2 4.4Å; L135-L207 HydrophobicContact CD2-CD1 3.84Å; L135-L235 HydrophobicContact CD2-CD1 4.35Å
136P75Confident72.6Confident42 Ų4288.4 Ų88.427%0.27353%0.528SS..PPolyproline II helixtrans-64160.5169.825.9-29.1000110.4L138 L207 L235P136-L138 PolarHBondContact O-N 2.94Å; P136-L138 VanDerWaalsContact O-N 3.09Å; P136-L207 HydrophobicContact CG-CD2 3.98Å; P136-L235 HydrophobicContact CG-CD2 4Å
137A74.3Confident72.6Confident107 Ų10790.5 Ų90.588%0.88453%0.532SS*.PPolyproline II helixtrans-54.9119.3175.300000110.1
138L72Confident73.3Confident66 Ų6683 Ų8335%0.34650%0.496SS..PPolyproline II helixtrans-84.3154.4178.9-56.6172.5000109.7P136 Q142 A144 L235P136-L138 PolarHBondContact O-N 2.94Å; P136-L138 VanDerWaalsContact O-N 3.09Å; L138-Q142 HydrophobicContact CB-CB 4.41Å; L138-A144 HydrophobicContact CD1-CB 3.58Å; L138-A144 HydrophobicContact CD2-CB 4.14Å; L138-A144 HydrophobicContact CG-CB 4.5Å; L138-L235 HydrophobicContact CD2-CD1 4.38Å; L138-L235 HydrophobicContact CD2-CD2 4.15Å
139V70.6Confident74.5Confident89 Ų8976.9 Ų76.954%0.53946%0.464SS..PPolyproline II helixtrans-69.1151.2168.6-60.20000109.9L141 Q142V139-L141 PolarHBondContact O-N 3.42Å; V139-Q142 HydrophobicContact CG2-CB 3.73Å; V139-Q142 WeakPolarHBondContact O-CB 3.45Å; V139-Q142 PolarHBondContact O-N 3.37Å; V139-Q142 VanDerWaalsContact O-N 3.12Å
140P63.2Low76.3Confident120 Ų12072.1 Ų72.178%0.77943%0.429SS*.THydrogen-bonded Turntrans-52.8138.1176.3-24.834.1000111.6Q142P140-Q142 VanDerWaalsContact C-N 3.28Å; P140-Q142 PolarHBondContact O-N 3.29Å
141L64.3Low77.7Confident180 Ų18069.4 Ų69.494%0.94242%0.415SS*.THydrogen-bonded Turntrans70.5-1.6-175.4-79.778000117.1V139 T143V139-L141 PolarHBondContact O-N 3.42Å; L141-T143 PolarHBondContact O-N 3.4Å
142Q68.4Low79.1Confident44 Ų4470 Ų7021%0.20640%0.402CS..  trans-76.9119.1173.9-174.1-179.45.800111L138 V139 P140 E236L138-Q142 HydrophobicContact CB-CB 4.41Å; V139-Q142 HydrophobicContact CG2-CB 3.73Å; V139-Q142 WeakPolarHBondContact O-CB 3.45Å; V139-Q142 PolarHBondContact O-N 3.37Å; V139-Q142 VanDerWaalsContact O-N 3.12Å; P140-Q142 VanDerWaalsContact C-N 3.28Å; P140-Q142 PolarHBondContact O-N 3.29Å; Q142-E236 PolarHBondContact NE2-O 3.11Å; Q142-E236 VanDerWaalsContact NE2-O 3.14Å
143T70.8Confident80.2Confident119 Ų11968 Ų6873%0.7339%0.392SS*.  trans-76.7121.9164.4-53.70000108.2L141 V145L141-T143 PolarHBondContact O-N 3.4Å; T143-V145 PolarHBondContact O-N 2.92Å
144A79.1Confident81.3Confident31 Ų3170.4 Ų70.426%0.25641%0.406SS..  trans-73.8108.9174.800000110.7L135 L138 V146 L235L135-A144 HydrophobicContact CD1-CB 3.5Å; L135-A144 VanDerWaalsContact CD1-CB 3.5Å; L138-A144 HydrophobicContact CD1-CB 3.58Å; L138-A144 HydrophobicContact CD2-CB 4.14Å; L138-A144 HydrophobicContact CG-CB 4.5Å; A144-V146 HydrophobicContact CB-CG2 4.29Å; A144-L235 HydrophobicContact CB-CD1 3.97Å
145V87.9Confident82.4Confident49 Ų4967 Ų6730%0.29739%0.386SS..  trans-95.4122.4164.9-173.30000107.6T143 W147 E236T143-V145 PolarHBondContact O-N 2.92Å; V145-W147 HydrophobicContact CG1-CZ2 4.15Å; V145-E236 HydrophobicContact CB-CB 3.89Å; V145-E236 WeakPolarHBondContact CG1-OE2 3.24Å; V145-E236 PolarHBondContact O-N 3.28Å
146V89.2Confident83.6Confident28 Ų2868.2 Ų68.217%0.1739%0.39CS..EExtended strand (participates in β ladder)trans-127131.1-174.3-163.30000109.2V132 L135 A144 L207 W233 L234 L235V132-V146 HydrophobicContact CG1-CB 4.01Å; V132-V146 HydrophobicContact CG1-CG1 4.11Å; V132-V146 HydrophobicContact CG1-CG2 3.86Å; L135-V146 HydrophobicContact CD1-CG2 4.13Å; L135-V146 HydrophobicContact CD2-CG1 4.44Å; L135-V146 HydrophobicContact CD2-CG2 3.49Å; L135-V146 VanDerWaalsContact CD2-CG2 3.49Å; L135-V146 HydrophobicContact CG-CG2 4.4Å; A144-V146 HydrophobicContact CB-CG2 4.29Å; V146-L207 HydrophobicContact CG1-CD1 4.18Å; V146-W233 HydrophobicContact CG1-CB 4.41Å; V146-W233 HydrophobicContact CG1-CE3 3.74Å; V146-W233 HydrophobicContact CG1-CZ3 4.39Å; V146-L234 CarbonylContact C-O 3.59Å; V146-L234 VanDerWaalsContact CA-O 3.24Å; V146-L234 WeakPolarHBondContact CA-O 3.43Å; V146-L234 WeakPolarHBondContact CG1-O 3.44Å; V146-L235 HydrophobicContact CG2-CD1 4.14Å
147W89.9Confident84.7Confident91 Ų9168.3 Ų68.335%0.34539%0.386SS..EExtended strand (participates in β ladder)trans-118.4141.1179.1-61.194.8000110K125 V145 Y204 W233 L234K125-W147 HydrophobicContact CD-CD2 3.88Å; K125-W147 HydrophobicContact CD-CE3 4.14Å; K125-W147 HydrophobicContact CD-CG 4.02Å; K125-W147 HydrophobicContact CG-CB 4.08Å; K125-W147 HydrophobicContact CG-CD2 4.32Å; K125-W147 HydrophobicContact CG-CE3 4.49Å; K125-W147 HydrophobicContact CG-CG 4.14Å; V145-W147 HydrophobicContact CG1-CZ2 4.15Å; W147-Y204 AromaticContact CD1-CE1 3.7Å; W147-W233 CarbonylContact O-C 3.52Å; W147-W233 WeakPolarHBondContact O-CA 3.46Å; W147-L234 HydrophobicContact CB-CB 4.38Å; W147-L234 PolarHBondContact N-O 3.46Å; W147-L234 PolarHBondContact O-N 2.9Å
148R90.9Very high85.8Confident22 Ų2264.4 Ų64.48%0.08335%0.352CS..EExtended strand (participates in β ladder)trans-69.9145.8158.5-75.8-177.561.7-118.56.3108.5K125 L126 E231 W233K125-R148 CarbonylContact C-O 3.57Å; K125-R148 WeakPolarHBondContact CA-O 3.21Å; L126-R148 HydrophobicContact CB-CB 3.94Å; L126-R148 PolarHBondContact N-O 3.43Å; R148-E231 IonicContact CZ-OE2 2.75Å; R148-E231 IonicContact NH2-OE1 2.77Å; R148-E231 PolarHBondContact NH2-OE1 3.33Å; R148-E231 VanDerWaalsContact NH2-OE1 3.12Å; R148-E231 IonicContact NH2-OE2 3.94Å; R148-E231 PolarHBondContact NH2-OE2 3.06Å; R148-W233 HydrophobicContact CB-CE3 4.48Å; R148-W233 HydrophobicContact CG-CD2 3.85Å; R148-W233 HydrophobicContact CG-CE3 3.62Å; R148-W233 HydrophobicContact CG-CH2 3.45Å; R148-W233 VanDerWaalsContact CG-CH2 3.45Å; R148-W233 HydrophobicContact CG-CZ2 3.63Å; R148-W233 HydrophobicContact CG-CZ3 3.43Å; R148-W233 VanDerWaalsContact CG-CZ3 3.43Å
149S92.6Very high87.1Confident2 Ų265 Ų651%0.01435%0.353CS..EExtended strand (participates in β ladder)trans-137.5157.8177.161.50000111.8D124 E231 G232 L234D124-S149 CarbonylContact O-C 3.53Å; D124-S149 WeakPolarHBondContact O-CA 3.43Å; S149-E231 CarbonylContact O-C 3.53Å; S149-E231 VanDerWaalsContact O-CA 3.29Å; S149-E231 WeakPolarHBondContact O-CA 3.44Å; S149-G232 PolarHBondContact N-O 3.21Å; S149-G232 PolarHBondContact O-N 2.94Å; S149-G232 PolarHBondContact OG-O 3.06Å; S149-L234 WeakPolarHBondContact OG-CG 3.44Å
150V93.1Very high88.4Confident23 Ų2366.7 Ų66.714%0.13936%0.359CS..EExtended strand (participates in β ladder)trans-121.3132.9166.657.50000109.4L123 D124 L126 R152 N230L123-V150 WeakPolarHBondContact CA-O 3.38Å; L123-V150 WeakPolarHBondContact CB-O 3.38Å; D124-V150 HydrophobicContact CB-CG1 4.12Å; D124-V150 PolarHBondContact N-O 3.45Å; D124-V150 PolarHBondContact O-N 3.39Å; L126-V150 HydrophobicContact CD1-CB 4.19Å; L126-V150 HydrophobicContact CD1-CG1 4.49Å; L126-V150 HydrophobicContact CD2-CB 4.38Å; L126-V150 HydrophobicContact CD2-CG1 3.81Å; L126-V150 HydrophobicContact CG-CB 4.38Å; L126-V150 HydrophobicContact CG-CG1 4.18Å; V150-R152 PolarHBondContact O-N 2.96Å; V150-N230 CarbonylContact C-O 3.58Å; V150-N230 WeakPolarHBondContact CA-O 3.29Å; V150-N230 HydrophobicContact CG2-CB 4.18Å
151L94.8Very high90Very high38 Ų3862.6 Ų62.620%0.19933%0.333CS..EExtended strand (participates in β ladder)trans-70.6120.5167.4179.363.3000108.7R121 L123 V154 N230R121-L151 HydrophobicContact CG-CD1 3.67Å; L123-L151 HydrophobicContact CD1-CD1 4.46Å; L123-L151 HydrophobicContact CG-CD1 4.16Å; L151-V154 HydrophobicContact CD1-CG2 3.97Å; L151-V154 HydrophobicContact CD2-CG2 4.21Å; L151-V154 HydrophobicContact CG-CG2 4.5Å; L151-N230 HydrophobicContact CB-CB 4.26Å; L151-N230 PolarHBondContact N-O 3.26Å
152R94.1Very high91.6Very high128 Ų12855.7 Ų55.748%0.48331%0.305SS..EExtended strand (participates in β ladder)trans-95.8-48.8-177-58.4-65.9-73.9175.8-9111.4C122 D124 V150 D171C122-R152 PolarHBondContact O-N 2.88Å; D124-R152 HydrophobicContact CB-CG 4.28Å; D124-R152 WeakPolarHBondContact OD2-CD 3.45Å; D124-R152 WeakPolarHBondContact OD2-CG 3.35Å; D124-R152 IonicContact OD2-CZ 2.64Å; D124-R152 IonicContact OD2-NE 3.12Å; D124-R152 PolarHBondContact OD2-NE 3.24Å; D124-R152 VanDerWaalsContact OD2-NE 3.12Å; V150-R152 PolarHBondContact O-N 2.96Å; R152-D171 WeakPolarHBondContact CB-OD1 3.18Å
153S93.3Very high93.1Very high41 Ų4154.4 Ų54.429%0.28730%0.301SS..EExtended strand (participates in β ladder)trans-155.6155.6-177.462.90000112.2C122C122-S153 PolarHBondContact N-O 3.45Å; C122-S153 PolarHBondContact O-N 2.7Å
154V95.8Very high94.4Very high83 Ų8349.1 Ų49.150%0.50327%0.269SS..EExtended strand (participates in β ladder)trans-134.7117167.2-176.30000105.9N119 V120 R121 L151N119-V154 VanDerWaalsContact OD1-CG1 3.26Å; N119-V154 WeakPolarHBondContact OD1-CG1 3.44Å; V120-V154 WeakPolarHBondContact O-CA 3.22Å; R121-V154 HydrophobicContact CB-CG2 4.43Å; R121-V154 HydrophobicContact CG-CG2 4.08Å; L151-V154 HydrophobicContact CD1-CG2 3.97Å; L151-V154 HydrophobicContact CD2-CG2 4.21Å; L151-V154 HydrophobicContact CG-CG2 4.5Å
155A97.3Very high95.3Very high33 Ų3350.5 Ų50.527%0.27327%0.271SS..EExtended strand (participates in β ladder)trans-143.6140.6-17500000112.1V120 Y157V120-A155 PolarHBondContact N-O 3.13Å; V120-A155 PolarHBondContact O-N 3.34Å; A155-Y157 HydrophobicContact CB-CD2 4.36Å; A155-Y157 HydrophobicContact CB-CE2 3.66Å; A155-Y157 WeakPolarHBondContact O-CD2 3.43Å
156E98.5Very high95.6Very high96 Ų9648.6 Ų48.645%0.44926%0.26SS..EExtended strand (participates in β ladder)trans-86.1128.6170.8-176.1179.9108.300110.2K117 V118K117-E156 HydrophobicContact CB-CG 4.44Å; K117-E156 WeakPolarHBondContact CD-OE1 3.49Å; K117-E156 VanDerWaalsContact CE-OE1 3.29Å; K117-E156 WeakPolarHBondContact CE-OE1 3.43Å; K117-E156 IonicContact NZ-OE1 3.75Å; K117-E156 PolarHBondContact NZ-OE1 2.85Å; K117-E156 IonicContact NZ-OE2 3.12Å; V118-E156 CarbonylContact O-C 3.45Å; V118-E156 WeakPolarHBondContact O-CA 3.5Å
157Y98.6Very high95.9Very high45 Ų4549.3 Ų49.318%0.17626%0.264CS..EExtended strand (participates in β ladder)trans-113.5139.9175-67.3-96.9000110.5K117 V118 V120 A155 C164K117-Y157 WeakPolarHBondContact CA-O 3.46Å; V118-Y157 PolarHBondContact N-O 3.47Å; V118-Y157 PolarHBondContact O-N 2.81Å; V120-Y157 HydrophobicContact CB-CD2 4.14Å; V120-Y157 HydrophobicContact CB-CE2 4.05Å; V120-Y157 HydrophobicContact CG2-CD2 3.72Å; V120-Y157 HydrophobicContact CG2-CE2 4.08Å; A155-Y157 HydrophobicContact CB-CD2 4.36Å; A155-Y157 HydrophobicContact CB-CE2 3.66Å; A155-Y157 WeakPolarHBondContact O-CD2 3.43Å; Y157-C164 HydrophobicContact CD1-CB 4.31Å; Y157-C164 HydrophobicContact CD2-CB 4.44Å; Y157-C164 HydrophobicContact CE1-CB 3.75Å; Y157-C164 HydrophobicContact CE2-CB 3.88Å
158S98.4Very high96.1Very high24 Ų2447.7 Ų47.717%0.16827%0.265CS..EExtended strand (participates in β ladder)trans-129.1176.9174.271.90000110.7K112 N160 S161K112-S158 PolarHBondContact NZ-O 2.52Å; S158-N160 PolarHBondContact O-N 2.93Å; S158-N160 PolarHBondContact OG-N 2.94Å; S158-S161 PolarHBondContact N-OG 3.12Å; S158-S161 WeakPolarHBondContact O-CB 3.04Å; S158-S161 PolarHBondContact O-N 3.07Å
159E97.6Very high96.1Very high79 Ų7952.7 Ų52.737%0.36930%0.298SS..THydrogen-bonded Turntrans-55.6-21.3173.264.9-166.7-137.900114.5K112 V113 Y115K112-E159 VanDerWaalsContact NZ-C 3.32Å; K112-E159 PolarHBondContact NZ-O 2.97Å; V113-E159 WeakPolarHBondContact O-CA 3.38Å; Y115-E159 WeakPolarHBondContact CA-OE2 3.03Å
160N98Very high96.2Very high124 Ų12456.8 Ų56.866%0.66332%0.317SS*.THydrogen-bonded Turntrans-91.9-13.4177.6-62.4-45.7000113.7S158S158-N160 PolarHBondContact O-N 2.93Å; S158-N160 PolarHBondContact OG-N 2.94Å
161S98.3Very high96.3Very high34 Ų3456.7 Ų56.724%0.23832%0.316CS..SBendtrans-75.6152175.9-51.90000110.9K112 S158K112-S161 WeakPolarHBondContact CD-O 3.39Å; K112-S161 WeakPolarHBondContact CE-O 3.38Å; K112-S161 PolarHBondContact NZ-O 3.14Å; S158-S161 PolarHBondContact N-OG 3.12Å; S158-S161 WeakPolarHBondContact O-CB 3.04Å; S158-S161 PolarHBondContact O-N 3.07Å
162G98.3Very high96.3Very high35 Ų3555.5 Ų55.536%0.36131%0.309SS..PPolyproline II helixtrans-64.5173.5162.200000111.7
163P98.3Very high96.4Very high18 Ų1849.5 Ų49.512%0.11729%0.287CS..PPolyproline II helixtrans-67.4145.8177.928.3-34.1000111.9I43 V46 T47 M110 L111 K112 L165I43-P163 HydrophobicContact CG2-CG 4.18Å; V46-P163 HydrophobicContact CG1-CB 3.96Å; V46-P163 HydrophobicContact CG1-CG 4.16Å; T47-P163 WeakPolarHBondContact OG1-CD 3.42Å; M110-P163 HydrophobicContact CB-CB 4.49Å; L111-P163 CarbonylContact O-C 3.51Å; L111-P163 WeakPolarHBondContact O-CA 3.49Å; L111-P163 WeakPolarHBondContact O-CB 3.37Å; K112-P163 HydrophobicContact CB-CB 4.43Å; P163-L165 HydrophobicContact CB-CD2 4.16Å; P163-L165 HydrophobicContact CG-CD2 4Å
164C98Very high96.6Very high8 Ų847.8 Ų47.85%0.05427%0.274CS..EExtended strand (participates in β ladder)trans-75.1132.8159.1-172.60000107.8M110 L111 Y157M110-C164 WeakPolarHBondContact CA-O 3.45Å; L111-C164 HydrophobicContact CB-CB 4.23Å; L111-C164 PolarHBondContact N-O 3.23Å; L111-C164 PolarHBondContact O-N 3.17Å; Y157-C164 HydrophobicContact CD1-CB 4.31Å; Y157-C164 HydrophobicContact CD2-CB 4.44Å; Y157-C164 HydrophobicContact CE1-CB 3.75Å; Y157-C164 HydrophobicContact CE2-CB 3.88Å
165L97.6Very high96.7Very high59 Ų5946.5 Ų46.531%0.30926%0.263SS..EExtended strand (participates in β ladder)trans-114.6142.2-175.9-58178.5000109.5F39 I43 G109 M110 P163F39-L165 HydrophobicContact CE1-CD1 4.18Å; F39-L165 HydrophobicContact CZ-CD1 4.44Å; I43-L165 HydrophobicContact CD1-CD1 3.93Å; I43-L165 HydrophobicContact CG1-CD1 4.39Å; I43-L165 HydrophobicContact CG1-CD2 4.48Å; G109-L165 WeakPolarHBondContact O-CA 3.43Å; M110-L165 HydrophobicContact CB-CD2 4.16Å; M110-L165 HydrophobicContact CE-CD2 4.16Å; M110-L165 HydrophobicContact CG-CD2 3.62Å; M110-L165 HydrophobicContact SD-CD2 4.19Å; P163-L165 HydrophobicContact CB-CD2 4.16Å; P163-L165 HydrophobicContact CG-CD2 4Å
166L95.6Very high96.8Very high10 Ų1045 Ų455%0.05225%0.25CS..EExtended strand (participates in β ladder)trans-130.7154.9168.965.687.5000110.5H104 M107 N108 G109 D171H104-L166 HydrophobicContact CB-CD1 3.93Å; M107-L166 WeakPolarHBondContact O-CD1 3.36Å; N108-L166 WeakPolarHBondContact CA-O 3.23Å; G109-L166 VanDerWaalsContact N-CD1 3.25Å; G109-L166 PolarHBondContact N-O 2.86Å; G109-L166 PolarHBondContact O-N 3.14Å; L166-D171 HydrophobicContact CB-CB 4.46Å; L166-D171 VanDerWaalsContact CB-O 3.24Å; L166-D171 WeakPolarHBondContact CB-O 3.25Å
167T95.4Very high96.7Very high42 Ų4242.2 Ų42.226%0.25824%0.238SC..BIsolated β-bridgetrans-130.9171.1175.273.20000109.6M107 V169 Q170 N172M107-T167 CarbonylContact O-C 3.52Å; T167-V169 PolarHBondContact O-N 2.78Å; T167-V169 PolarHBondContact OG1-N 3.11Å; T167-Q170 PolarHBondContact N-O 2.84Å; T167-Q170 PolarHBondContact O-N 3.12Å; T167-Q170 VanDerWaalsContact O-O 3.13Å; T167-Q170 WeakPolarHBondContact OG1-CB 3.44Å; T167-Q170 PolarHBondContact OG1-N 2.84Å; T167-Q170 PolarHBondContact OG1-O 2.88Å; T167-N172 PolarHBondContact O-ND2 3.12Å; T167-N172 VanDerWaalsContact O-ND2 3.12Å
168P93.9Very high96.7Very high57 Ų5740.7 Ų40.737%0.3724%0.235SC..THydrogen-bonded Turntrans-58.2-22.1176.7-29.237.5000114.9M107M107-P168 VanDerWaalsContact O-CD 3.31Å; M107-P168 WeakPolarHBondContact O-CD 3.46Å; M107-P168 VanDerWaalsContact O-N 3.15Å
169V91.3Very high96.5Very high127 Ų12741 Ų4177%0.7724%0.236SC*.THydrogen-bonded Turntrans-122.3-1.4-172.2-61.70000113.6T167T167-V169 PolarHBondContact O-N 2.78Å; T167-V169 PolarHBondContact OG1-N 3.11Å
170Q93.6Very high96.3Very high88 Ų8844.2 Ų44.241%0.41126%0.255SS..BIsolated β-bridgetrans-147.3134.8-177.2-177.7180-22.800111.3D124 T167 N172D124-Q170 VanDerWaalsContact OD1-C 3.26Å; D124-Q170 WeakPolarHBondContact OD1-CA 3.41Å; D124-Q170 WeakPolarHBondContact OD2-CA 3.3Å; T167-Q170 PolarHBondContact N-O 2.84Å; T167-Q170 PolarHBondContact O-N 3.12Å; T167-Q170 VanDerWaalsContact O-O 3.13Å; T167-Q170 WeakPolarHBondContact OG1-CB 3.44Å; T167-Q170 PolarHBondContact OG1-N 2.84Å; T167-Q170 PolarHBondContact OG1-O 2.88Å; Q170-N172 PolarHBondContact O-N 2.77Å
171D94.9Very high96.1Very high22 Ų2238.9 Ų38.912%0.11823%0.23CC..SBendtrans53.330.1-178.7-61.8-54.3000111.8C122 D124 R152 L166 L173C122-D171 HydrophobicContact CB-CB 3.83Å; C122-D171 VanDerWaalsContact CB-OD1 3.25Å; C122-D171 WeakPolarHBondContact CB-OD1 3.39Å; D124-D171 VanDerWaalsContact CG-N 3.27Å; D124-D171 PolarHBondContact OD1-N 2.9Å; D124-D171 PolarHBondContact OD2-N 2.81Å; D124-D171 VanDerWaalsContact OD2-N 3.07Å; R152-D171 WeakPolarHBondContact CB-OD1 3.18Å; L166-D171 HydrophobicContact CB-CB 4.46Å; L166-D171 VanDerWaalsContact CB-O 3.24Å; L166-D171 WeakPolarHBondContact CB-O 3.25Å; D171-L173 VanDerWaalsContact C-N 3.3Å; D171-L173 PolarHBondContact O-N 3.31Å
172N95.3Very high96Very high13 Ų1338.7 Ų38.77%0.0723%0.228CC..  trans-72.7-24.3-169.2-170.9-102.2000113.2H104 D124 T167 Q170H104-N172 PolarHBondContact CD2-O 3.15Å; H104-N172 PolarHBondContact N-O 2.64Å; H104-N172 PolarHBondContact N-OD1 3.02Å; H104-N172 PolarHBondContact O-ND2 3.27Å; D124-N172 PolarHBondContact OD1-N 3Å; T167-N172 PolarHBondContact O-ND2 3.12Å; T167-N172 VanDerWaalsContact O-ND2 3.12Å; Q170-N172 PolarHBondContact O-N 2.77Å
173L97.3Very high95.9Very high1 Ų137 Ų371%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-106.6136.8174.1-58.992.8000109.7L101 H102 D103 C122 L123 K125 D171 Y204 L234L101-L173 HydrophobicContact CD1-CB 3.97Å; H102-L173 CarbonylContact O-C 3.5Å; H102-L173 WeakPolarHBondContact O-CA 3.31Å; D103-L173 HydrophobicContact CB-CD2 4.14Å; D103-L173 HydrophobicContact CB-CG 3.86Å; C122-L173 CarbonylContact C-O 3.51Å; C122-L173 VanDerWaalsContact CA-O 3.29Å; C122-L173 WeakPolarHBondContact CA-O 3.47Å; L123-L173 HydrophobicContact CB-CB 4.26Å; L123-L173 PolarHBondContact N-O 3.04Å; L123-L173 WeakPolarHBondContact O-CB 3.44Å; L123-L173 WeakPolarHBondContact O-CD1 3.43Å; L123-L173 PolarHBondContact O-N 2.92Å; K125-L173 HydrophobicContact CD-CD1 4.43Å; K125-L173 HydrophobicContact CG-CD1 3.82Å; K125-L173 HydrophobicContact CG-CD2 4.41Å; D171-L173 VanDerWaalsContact C-N 3.3Å; D171-L173 PolarHBondContact O-N 3.31Å; L173-Y204 HydrophobicContact CD2-CD2 3.65Å; L173-Y204 HydrophobicContact CD2-CE2 3.74Å; L173-Y204 HydrophobicContact CD2-CG 4.14Å; L173-L234 HydrophobicContact CD2-CD1 3.62Å
174H97.1Very high95.9Very high6 Ų636.1 Ų36.13%0.02821%0.205CC..EExtended strand (participates in β ladder)trans-149.3153.6171.658.7-166.5000114.8L101 H102 H104 V120 R121L101-H174 WeakPolarHBondContact CA-O 3.38Å; L101-H174 VanDerWaalsContact CD1-C 3.46Å; H102-H174 AromaticContact CE1-CD2 3.34Å; H102-H174 PolarHBondContact CE1-CD2 3.18Å; H102-H174 AromaticContact CE1-NE2 3.47Å; H102-H174 PolarHBondContact CE1-NE2 2.78Å; H102-H174 PolarHBondContact N-O 3.49Å; H102-H174 VanDerWaalsContact N-O 3.12Å; H102-H174 PolarHBondContact ND1-O 3.04Å; H102-H174 AromaticContact NE2-CD2 3.46Å; H102-H174 PolarHBondContact NE2-CD2 3.36Å; H102-H174 AromaticContact NE2-NE2 3.23Å; H102-H174 PolarHBondContact NE2-NE2 2.82Å; H102-H174 PolarHBondContact O-N 2.97Å; H104-H174 AromaticContact CD2-NE2 3.73Å; H104-H174 AromaticContact CE1-NE2 3.92Å; H104-H174 AromaticContact NE2-CD2 3.66Å; H104-H174 AromaticContact NE2-CE1 3.65Å; H104-H174 AromaticContact NE2-NE2 2.92Å; H104-H174 PolarHBondContact NE2-NE2 2.75Å; V120-H174 HydrophobicContact CG1-CB 3.98Å; R121-H174 CarbonylContact O-C 3.54Å; R121-H174 WeakPolarHBondContact O-CA 3.49Å; R121-H174 WeakPolarHBondContact O-CB 3.33Å
175Q98.1Very high96Very high55 Ų5535.9 Ų35.926%0.25720%0.203SC..EExtended strand (participates in β ladder)trans-110.6139.2164.9-175.9-178.6-65.600108I99 L101 V120 R121 D177I99-Q175 WeakPolarHBondContact O-CG 3.14Å; L101-Q175 HydrophobicContact CB-CB 4.23Å; L101-Q175 HydrophobicContact CD1-CB 4.48Å; V120-Q175 WeakPolarHBondContact CA-O 3.43Å; R121-Q175 HydrophobicContact CB-CB 4.49Å; R121-Q175 PolarHBondContact N-O 3.43Å; R121-Q175 PolarHBondContact O-N 3.33Å; Q175-D177 PolarHBondContact NE2-OD1 2.78Å; Q175-D177 VanDerWaalsContact NE2-OD1 3.07Å; Q175-D177 PolarHBondContact NE2-OD2 3.45Å
176I98.5Very high96Very high3 Ų333.1 Ų33.12%0.01519%0.188CC..EExtended strand (participates in β ladder)trans-124.3114.3-177.8-55.4160.9000108.6L93 S98 I99 L111 V118 N119 V120 F185L93-I176 HydrophobicContact CD2-CG2 4.2Å; S98-I176 CarbonylContact C-O 3.44Å; S98-I176 VanDerWaalsContact CA-O 3.24Å; S98-I176 WeakPolarHBondContact CA-O 3.11Å; I99-I176 HydrophobicContact CB-CB 4.27Å; I99-I176 HydrophobicContact CD1-CD1 4.19Å; I99-I176 PolarHBondContact N-O 2.87Å; I99-I176 PolarHBondContact O-N 3.3Å; I99-I176 VanDerWaalsContact O-N 3.11Å; L111-I176 HydrophobicContact CD1-CD1 3.46Å; L111-I176 VanDerWaalsContact CD1-CD1 3.46Å; L111-I176 HydrophobicContact CD1-CG1 4.18Å; V118-I176 HydrophobicContact CB-CG2 3.81Å; V118-I176 HydrophobicContact CG1-CG2 4.04Å; V118-I176 HydrophobicContact CG2-CG2 4.09Å; N119-I176 WeakPolarHBondContact O-CA 3.24Å; V120-I176 HydrophobicContact CG1-CG1 4.28Å; V120-I176 HydrophobicContact CG2-CG1 4.36Å; V120-I176 HydrophobicContact CG2-CG2 4.42Å; I176-F185 HydrophobicContact CD1-CE1 4.22Å; I176-F185 HydrophobicContact CD1-CZ 3.79Å; I176-F185 HydrophobicContact CG2-CE1 3.91Å
177D97.8Very high96.2Very high37 Ų3733.3 Ų33.320%0.19819%0.19CC..EExtended strand (participates in β ladder)trans-109.6130.6-177.3-59.7-71.7000110.5S98 V118 N119 Q175S98-D177 WeakPolarHBondContact CB-OD1 3.37Å; S98-D177 PolarHBondContact OG-OD1 3.12Å; V118-D177 CarbonylContact C-O 3.55Å; V118-D177 WeakPolarHBondContact CA-O 3.4Å; V118-D177 WeakPolarHBondContact CB-O 3.31Å; N119-D177 HydrophobicContact CB-CB 4.4Å; N119-D177 PolarHBondContact N-O 3.1Å; N119-D177 PolarHBondContact O-N 2.83Å; Q175-D177 PolarHBondContact NE2-OD1 2.78Å; Q175-D177 VanDerWaalsContact NE2-OD1 3.07Å; Q175-D177 PolarHBondContact NE2-OD2 3.45Å
178A97.1Very high96.3Very high13 Ų1331.3 Ų31.311%0.10718%0.177CC..EExtended strand (participates in β ladder)trans-72131.3172.900000111.2L93 T97L93-A178 HydrophobicContact CB-CB 3.96Å; L93-A178 HydrophobicContact CD2-CB 4.19Å; T97-A178 WeakPolarHBondContact O-CB 3.36Å; T97-A178 PolarHBondContact O-N 3.06Å
179V95.7Very high96.6Very high30 Ų3029 Ų2918%0.18216%0.162CC..EExtended strand (participates in β ladder)trans-112131.5-175.2-1800000110.5K117 N119 G181K117-V179 HydrophobicContact CB-CB 3.89Å; K117-V179 HydrophobicContact CB-CG1 4.43Å; K117-V179 PolarHBondContact O-N 3.08Å; N119-V179 HydrophobicContact CB-CG2 3.81Å; V179-G181 PolarHBondContact O-N 2.89Å
180D91.4Very high96.8Very high146 Ų14623 Ų2378%0.78113%0.126SC*.EExtended strand (participates in β ladder)trans5612.3174.1-58.9-32.7000116.4
181G93.8Very high97Very high13 Ų1319.8 Ų19.813%0.13411%0.113CC..EExtended strand (participates in β ladder)trans157.4-172-178.600000113.5V179V179-G181 PolarHBondContact O-N 2.89Å
182P96.2Very high97Very high29 Ų2919.2 Ų19.219%0.18811%0.11CC..EExtended strand (participates in β ladder)trans-68.1149.1171.130.7-34000110.7P59 L93P59-P182 HydrophobicContact CB-CG 4.19Å; P59-P182 HydrophobicContact CG-CB 4.16Å; P59-P182 HydrophobicContact CG-CG 3.88Å; L93-P182 VanDerWaalsContact O-CA 3.22Å; L93-P182 WeakPolarHBondContact O-CA 3.45Å; L93-P182 WeakPolarHBondContact O-CB 3.41Å
183A98Very high97Very high0 Ų021.9 Ų21.90%012%0.12CC..EExtended strand (participates in β ladder)trans-137.1155.7178.300000110.3L93 Y115 K117 V118L93-A183 PolarHBondContact N-O 3.49Å; L93-A183 PolarHBondContact O-N 3.41Å; Y115-A183 WeakPolarHBondContact O-CA 3.47Å; K117-A183 WeakPolarHBondContact O-CB 3.14Å; V118-A183 HydrophobicContact CG1-CB 3.61Å
184A98.4Very high96.7Very high0 Ų023.9 Ų23.90%013%0.131CC..EExtended strand (participates in β ladder)trans-135.9147.5166.700000110.7V90 F91 L92 L114 Y115V90-A184 HydrophobicContact CG1-CB 4.18Å; F91-A184 CarbonylContact O-C 3.5Å; F91-A184 WeakPolarHBondContact O-CA 3.37Å; F91-A184 WeakPolarHBondContact O-CB 3.33Å; L92-A184 HydrophobicContact CG-CB 4.05Å; L114-A184 PolarHBondContact N-O 3.01Å; Y115-A184 HydrophobicContact CD1-CB 3.8Å; Y115-A184 HydrophobicContact CE1-CB 3.23Å; Y115-A184 HydrophobicContact CE2-CB 4.15Å; Y115-A184 HydrophobicContact CG-CB 4.47Å; Y115-A184 VanDerWaalsContact CZ-CB 3.42Å; Y115-A184 PolarHBondContact N-O 3.47Å; Y115-A184 PolarHBondContact O-N 2.95Å; Y115-A184 VanDerWaalsContact O-N 3.12Å
185F98.8Very high96.3Very high2 Ų227.5 Ų27.51%0.00916%0.155CC..EExtended strand (participates in β ladder)trans-138.3142.7175.261.9-100.8000111.1V90 F91 L93 I99 L111 K112 V113 V118 I176 D187V90-F185 VanDerWaalsContact CA-O 3.31Å; V90-F185 WeakPolarHBondContact CA-O 3.46Å; V90-F185 WeakPolarHBondContact CG1-O 3.37Å; F91-F185 HydrophobicContact CB-CD1 4.34Å; F91-F185 HydrophobicContact CB-CD2 4.23Å; F91-F185 HydrophobicContact CB-CE1 3.83Å; F91-F185 HydrophobicContact CB-CE2 3.72Å; F91-F185 HydrophobicContact CB-CZ 3.5Å; F91-F185 VanDerWaalsContact CB-CZ 3.5Å; F91-F185 HydrophobicContact CD2-CD2 4.24Å; F91-F185 AromaticContact CD2-CE2 3.41Å; F91-F185 HydrophobicContact CD2-CE2 3.41Å; F91-F185 VanDerWaalsContact CD2-CE2 3.41Å; F91-F185 AromaticContact CD2-CZ 3.8Å; F91-F185 HydrophobicContact CD2-CZ 3.8Å; F91-F185 HydrophobicContact CE2-CE2 4.32Å; F91-F185 AromaticContact CG-CE2 3.87Å; F91-F185 HydrophobicContact CG-CE2 3.87Å; F91-F185 AromaticContact CG-CZ 3.8Å; F91-F185 HydrophobicContact CG-CZ 3.8Å; F91-F185 PolarHBondContact N-O 3.46Å; F91-F185 PolarHBondContact O-N 3.34Å; L93-F185 HydrophobicContact CD1-CD1 4.03Å; L93-F185 HydrophobicContact CD1-CE1 3.47Å; L93-F185 VanDerWaalsContact CD1-CE1 3.47Å; L93-F185 HydrophobicContact CD1-CZ 4.35Å; I99-F185 HydrophobicContact CD1-CE1 3.92Å; I99-F185 HydrophobicContact CD1-CZ 3.56Å; L111-F185 HydrophobicContact CD1-CD1 4.17Å; L111-F185 HydrophobicContact CD1-CD2 3.66Å; L111-F185 HydrophobicContact CD1-CE1 4.11Å; L111-F185 HydrophobicContact CD1-CE2 3.59Å; L111-F185 HydrophobicContact CD1-CG 3.94Å; L111-F185 HydrophobicContact CD1-CZ 3.83Å; L111-F185 HydrophobicContact CD2-CB 3.9Å; L111-F185 HydrophobicContact CD2-CD2 4.29Å; L111-F185 HydrophobicContact CD2-CG 4.04Å; L111-F185 HydrophobicContact CG-CB 4.01Å; L111-F185 HydrophobicContact CG-CD1 4.41Å; L111-F185 HydrophobicContact CG-CD2 3.49Å; L111-F185 VanDerWaalsContact CG-CD2 3.49Å; L111-F185 HydrophobicContact CG-CE2 3.94Å; L111-F185 HydrophobicContact CG-CG 3.74Å; K112-F185 CarbonylContact O-C 3.58Å; K112-F185 WeakPolarHBondContact O-CA 3.36Å; K112-F185 WeakPolarHBondContact O-CB 3.47Å; V113-F185 HydrophobicContact CG2-CB 4.38Å; V118-F185 HydrophobicContact CG1-CD1 4.5Å; I176-F185 HydrophobicContact CD1-CE1 4.22Å; I176-F185 HydrophobicContact CD1-CZ 3.79Å; I176-F185 HydrophobicContact CG2-CE1 3.91Å; F185-D187 HydrophobicContact CD2-CB 4.17Å; F185-D187 HydrophobicContact CE2-CB 4.05Å
186L98.9Very high96Very high1 Ų132.3 Ų32.31%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-75.1136165.3-18073.6000108.1I10 V49 I80 M88 V90 L111 K112 L114I10-L186 HydrophobicContact CD1-CD1 4.15Å; I10-L186 HydrophobicContact CD1-CD2 4.26Å; V49-L186 HydrophobicContact CG1-CD2 3.99Å; I80-L186 HydrophobicContact CD1-CD1 3.78Å; M88-L186 HydrophobicContact CG-CD1 3.85Å; M88-L186 HydrophobicContact SD-CD1 4.14Å; V90-L186 HydrophobicContact CG2-CD1 3.97Å; L111-L186 CarbonylContact C-O 3.55Å; L111-L186 WeakPolarHBondContact CA-O 3.31Å; K112-L186 HydrophobicContact CB-CB 4.48Å; K112-L186 PolarHBondContact N-O 2.92Å; K112-L186 PolarHBondContact O-N 3.32Å; L114-L186 HydrophobicContact CD1-CB 4.28Å; L114-L186 HydrophobicContact CD2-CB 4.27Å; L114-L186 HydrophobicContact CG-CB 4.33Å
187D98.7Very high95.5Very high14 Ų1436.7 Ų36.78%0.07521%0.205CC..EExtended strand (participates in β ladder)trans-124.9137.2175.9-165.139.6000110.2M88 G89 F91 M110 F185 L189M88-D187 WeakPolarHBondContact CA-O 3.32Å; G89-D187 PolarHBondContact N-O 3.2Å; G89-D187 VanDerWaalsContact N-O 3.09Å; G89-D187 PolarHBondContact O-N 3.21Å; F91-D187 HydrophobicContact CD2-CB 4.03Å; F91-D187 HydrophobicContact CE2-CB 4.03Å; M110-D187 WeakPolarHBondContact O-CA 3.24Å; F185-D187 HydrophobicContact CD2-CB 4.17Å; F185-D187 HydrophobicContact CE2-CB 4.05Å; D187-L189 WeakPolarHBondContact OD2-CG 3.43Å
188I98.7Very high95Very high0 Ų037.5 Ų37.50%022%0.222CC..EExtended strand (participates in β ladder)trans-129.6120.6175-58.6174.8000107.2I13 A17 F21 V46 F86 S87 M88 G109 M110I13-I188 HydrophobicContact CG2-CD1 3.64Å; A17-I188 HydrophobicContact CB-CG2 4.3Å; F21-I188 HydrophobicContact CE2-CG2 4.19Å; V46-I188 HydrophobicContact CG2-CD1 3.8Å; F86-I188 HydrophobicContact CD2-CG2 4.03Å; S87-I188 WeakPolarHBondContact O-CA 3.29Å; M88-I188 HydrophobicContact CB-CG1 4.45Å; M88-I188 HydrophobicContact CE-CD1 4Å; M88-I188 HydrophobicContact CE-CG1 4.12Å; M88-I188 HydrophobicContact CG-CG1 3.98Å; M88-I188 HydrophobicContact SD-CG1 4.46Å; G109-I188 CarbonylContact C-O 3.57Å; G109-I188 VanDerWaalsContact CA-O 3.23Å; G109-I188 WeakPolarHBondContact CA-O 3.1Å; M110-I188 HydrophobicContact CB-CB 4.35Å; M110-I188 PolarHBondContact N-O 3.2Å; M110-I188 PolarHBondContact O-N 2.7Å
189L98.3Very high94.8Very high8 Ų838.9 Ų38.94%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-120.8134.2179.2-62176.3000110.5F86 S87 M107 N108 D187 P191 Y193F86-L189 CarbonylContact C-O 3.48Å; F86-L189 WeakPolarHBondContact CA-O 3.18Å; F86-L189 VanDerWaalsContact CB-O 3.31Å; F86-L189 WeakPolarHBondContact CB-O 3.45Å; S87-L189 PolarHBondContact N-O 3.48Å; S87-L189 PolarHBondContact O-N 3.44Å; M107-L189 HydrophobicContact CE-CB 3.64Å; M107-L189 HydrophobicContact CE-CD1 3.67Å; M107-L189 HydrophobicContact CE-CD2 4.3Å; M107-L189 HydrophobicContact CE-CG 4.07Å; N108-L189 CarbonylContact O-C 3.58Å; N108-L189 WeakPolarHBondContact O-CA 3.45Å; D187-L189 WeakPolarHBondContact OD2-CG 3.43Å; L189-P191 CarbonylContact C-O 3.58Å; L189-Y193 HydrophobicContact CD1-CD2 4.1Å; L189-Y193 HydrophobicContact CD1-CE2 3.63Å
190A96.8Very high94.7Very high3 Ų341.2 Ų41.23%0.02524%0.236CC..EExtended strand (participates in β ladder)trans-141117.2-175.800000112.7F21 V85 F86 N108F21-A190 HydrophobicContact CB-CB 3.78Å; F21-A190 HydrophobicContact CD1-CB 3.6Å; F21-A190 HydrophobicContact CD2-CB 3.39Å; F21-A190 HydrophobicContact CE1-CB 3.95Å; F21-A190 HydrophobicContact CE2-CB 3.76Å; F21-A190 HydrophobicContact CG-CB 3.3Å; F21-A190 HydrophobicContact CZ-CB 4.02Å; V85-A190 WeakPolarHBondContact O-CB 3.41Å; F86-A190 HydrophobicContact CB-CB 3.86Å; N108-A190 PolarHBondContact N-O 3.36Å; N108-A190 PolarHBondContact O-N 2.76Å
191P96.4Very high94.8Very high20 Ų2035.5 Ų35.513%0.1321%0.208CC..SBendcis-64.8172.3-10.131.5-37.1000112.4V85 M107 L189V85-P191 WeakPolarHBondContact O-CA 3.44Å; M107-P191 WeakPolarHBondContact CE-O 3.49Å; M107-P191 HydrophobicContact CG-CG 4.44Å; M107-P191 WeakPolarHBondContact CG-O 3.11Å; L189-P191 CarbonylContact C-O 3.58Å
192P96.5Very high94.9Very high10 Ų1037.5 Ų37.57%0.06521%0.213CC..PPolyproline II helixtrans-61.8162.7166.6-16.128.5000112.1E82 T83 R199E82-P192 HydrophobicContact CG-CB 4.41Å; E82-P192 HydrophobicContact CG-CG 3.97Å; T83-P192 WeakPolarHBondContact O-CG 3.31Å; P192-R199 PolarHBondContact O-NE 2.79Å; P192-R199 VanDerWaalsContact O-NE 3.11Å
193Y93.8Very high94.9Very high68 Ų6837.8 Ų37.827%0.26721%0.211SC..PPolyproline II helixtrans-55.4142.1163.7-69.5-70.5000110.5D103 H104 M107 L189 R199 C201D103-Y193 PolarHBondContact O-OH 2.94Å; H104-Y193 AromaticContact CE1-CZ 3.92Å; H104-Y193 PolarHBondContact CE1-OH 3.2Å; H104-Y193 AromaticContact ND1-CZ 3.53Å; H104-Y193 PolarHBondContact ND1-OH 3.36Å; M107-Y193 HydrophobicContact CE-CD1 3.82Å; M107-Y193 HydrophobicContact CE-CD2 3.87Å; M107-Y193 HydrophobicContact CE-CE1 3.89Å; M107-Y193 HydrophobicContact CE-CE2 3.92Å; M107-Y193 HydrophobicContact CE-CG 3.84Å; M107-Y193 HydrophobicContact SD-CD1 3.56Å; M107-Y193 VanDerWaalsContact SD-CD1 3.56Å; M107-Y193 HydrophobicContact SD-CE1 3.65Å; M107-Y193 HydrophobicContact SD-CG 4.13Å; L189-Y193 HydrophobicContact CD1-CD2 4.1Å; L189-Y193 HydrophobicContact CD1-CE2 3.63Å; Y193-R199 CarbonylContact C-O 3.53Å; Y193-R199 WeakPolarHBondContact CA-O 3.37Å; Y193-R199 WeakPolarHBondContact CB-O 3.42Å; Y193-R199 VanDerWaalsContact CD1-O 3.29Å; Y193-R199 WeakPolarHBondContact CD1-O 3.2Å; Y193-C201 HydrophobicContact CD1-CB 4.16Å; Y193-C201 HydrophobicContact CE1-CB 3.62Å; Y193-C201 HydrophobicContact CE2-CB 4.35Å; Y193-C201 PolarHBondContact OH-SG 2.87Å; Y193-C201 VanDerWaalsContact OH-SG 3.37Å
194N92.6Very high94.8Very high44 Ų4438.1 Ų38.124%0.23521%0.212CC..BIsolated β-bridgetrans-155.1102.5173.6-175.74.4000108.6D196 D197 G198 R199N194-D196 PolarHBondContact O-N 2.83Å; N194-D196 WeakPolarHBondContact OD1-CB 3.45Å; N194-D196 PolarHBondContact OD1-N 2.9Å; N194-D196 VanDerWaalsContact OD1-N 3.14Å; N194-D197 HydrophobicContact CB-CB 4.21Å; N194-D197 PolarHBondContact ND2-OD2 3.09Å; N194-D197 PolarHBondContact O-N 2.88Å; N194-D197 VanDerWaalsContact O-N 3.07Å; N194-G198 PolarHBondContact O-N 2.87Å; N194-R199 CarbonylContact C-O 3.56Å; N194-R199 PolarHBondContact N-O 2.86Å; N194-R199 CarbonylContact O-C 3.21Å; N194-R199 PolarHBondContact O-N 3.17Å
195P88.1Confident94.5Very high82 Ų8243.6 Ų43.653%0.53223%0.233SC..G310 helixtrans-56.3-34.3177.5-26.935.8000113.1D197 G198 D200P195-D197 PolarHBondContact O-N 3.3Å; P195-G198 PolarHBondContact O-N 2.95Å; P195-D200 HydrophobicContact CB-CB 4.46Å
196D90.9Very high94.1Very high155 Ų15545.7 Ų45.783%0.82925%0.246SC*.G310 helixtrans-65.4-24.7179.9-64.5-30.8000112.6N194N194-D196 PolarHBondContact O-N 2.83Å; N194-D196 WeakPolarHBondContact OD1-CB 3.45Å; N194-D196 PolarHBondContact OD1-N 2.9Å; N194-D196 VanDerWaalsContact OD1-N 3.14Å
197D87.8Confident93.5Very high95 Ų9546.5 Ų46.551%0.50825%0.25SC..G310 helixtrans-10112.3175.7-64.8-25000112.7N194 P195 R199N194-D197 HydrophobicContact CB-CB 4.21Å; N194-D197 PolarHBondContact ND2-OD2 3.09Å; N194-D197 PolarHBondContact O-N 2.88Å; N194-D197 VanDerWaalsContact O-N 3.07Å; P195-D197 PolarHBondContact O-N 3.3Å; D197-R199 VanDerWaalsContact C-N 3.26Å; D197-R199 PolarHBondContact O-N 2.77Å; D197-R199 IonicContact OD2-CZ 3.25Å; D197-R199 VanDerWaalsContact OD2-CZ 3.25Å; D197-R199 IonicContact OD2-NH1 2.92Å; D197-R199 PolarHBondContact OD2-NH1 2.99Å; D197-R199 IonicContact OD2-NH2 2.75Å; D197-R199 PolarHBondContact OD2-NH2 2.89Å
198G88.8Confident92.1Very high54 Ų5457 Ų5756%0.55729%0.288SS*.THydrogen-bonded Turntrans70.818-177.300000114.6N194 P195N194-G198 PolarHBondContact O-N 2.87Å; P195-G198 PolarHBondContact O-N 2.95Å
199R93Very high89.9Confident43 Ų4360.6 Ų60.616%0.16231%0.313CS..BIsolated β-bridgetrans-101.756.3173.7-60.6-170.3-61.5-76.9-1.6109.8P105 P192 Y193 N194 D197P105-R199 WeakPolarHBondContact O-CG 3.39Å; P192-R199 PolarHBondContact O-NE 2.79Å; P192-R199 VanDerWaalsContact O-NE 3.11Å; Y193-R199 CarbonylContact C-O 3.53Å; Y193-R199 WeakPolarHBondContact CA-O 3.37Å; Y193-R199 WeakPolarHBondContact CB-O 3.42Å; Y193-R199 VanDerWaalsContact CD1-O 3.29Å; Y193-R199 WeakPolarHBondContact CD1-O 3.2Å; N194-R199 CarbonylContact C-O 3.56Å; N194-R199 PolarHBondContact N-O 2.86Å; N194-R199 CarbonylContact O-C 3.21Å; N194-R199 PolarHBondContact O-N 3.17Å; D197-R199 VanDerWaalsContact C-N 3.26Å; D197-R199 PolarHBondContact O-N 2.77Å; D197-R199 IonicContact OD2-CZ 3.25Å; D197-R199 VanDerWaalsContact OD2-CZ 3.25Å; D197-R199 IonicContact OD2-NH1 2.92Å; D197-R199 PolarHBondContact OD2-NH1 2.99Å; D197-R199 IonicContact OD2-NH2 2.75Å; D197-R199 PolarHBondContact OD2-NH2 2.89Å
200D93.1Very high87.3Confident79 Ų7968.9 Ų68.942%0.42235%0.352SS..  trans-84.6156170.2-160.78.7000110.4P105 P195 H202P105-D200 WeakPolarHBondContact CD-O 3.45Å; P105-D200 WeakPolarHBondContact CG-O 3.44Å; P195-D200 HydrophobicContact CB-CB 4.46Å; D200-H202 PolarHBondContact O-CE1 2.77Å; D200-H202 VanDerWaalsContact O-CE1 3.24Å; D200-H202 PolarHBondContact O-ND1 3.19Å; D200-H202 VanDerWaalsContact O-ND1 3.09Å
201C94.1Very high84.6Confident26 Ų2672.3 Ų72.318%0.17638%0.38CS..  trans-86.3116.8174.8-174.80000109.1Y193Y193-C201 HydrophobicContact CD1-CB 4.16Å; Y193-C201 HydrophobicContact CE1-CB 3.62Å; Y193-C201 HydrophobicContact CE2-CB 4.35Å; Y193-C201 PolarHBondContact OH-SG 2.87Å; Y193-C201 VanDerWaalsContact OH-SG 3.37Å
202H95.1Very high81.8Confident54 Ų5479.4 Ų79.425%0.2541%0.411CS..  trans-105.1145.4178.3-51.881.4000110.1H102 D103 D200 Y204 E236H102-H202 CarbonylContact C-O 3.59Å; H102-H202 WeakPolarHBondContact CA-O 3.44Å; H102-H202 WeakPolarHBondContact CB-O 3.23Å; D103-H202 PolarHBondContact N-O 3.01Å; D103-H202 VanDerWaalsContact N-O 3.15Å; D103-H202 WeakPolarHBondContact OD1-CB 3.45Å; D103-H202 IonicContact OD1-CG 3.43Å; D103-H202 PolarHBondContact OD1-N 3Å; D103-H202 IonicContact OD1-ND1 3.6Å; D103-H202 PolarHBondContact OD1-ND1 3.04Å; D103-H202 IonicContact OD2-ND1 3.75Å; D200-H202 PolarHBondContact O-CE1 2.77Å; D200-H202 VanDerWaalsContact O-CE1 3.24Å; D200-H202 PolarHBondContact O-ND1 3.19Å; D200-H202 VanDerWaalsContact O-ND1 3.09Å; H202-Y204 HydrophobicContact CB-CE2 3.75Å; H202-Y204 WeakPolarHBondContact CB-OH 3.29Å; H202-Y204 VanDerWaalsContact O-CE2 3.24Å; H202-Y204 WeakPolarHBondContact O-CE2 3.42Å; H202-E236 HydrophobicContact CB-CG 4.31Å; H202-E236 IonicContact CD2-OE1 2.61Å; H202-E236 PolarHBondContact CD2-OE1 3.39Å
203Y96.5Very high78.9Confident35 Ų3584.2 Ų84.214%0.13744%0.443CS..EExtended strand (participates in β ladder)trans-102.7149177.1-63.3-83.6000111.3P100 L101 H102 E236 I237 Q239 F243P100-Y203 HydrophobicContact CB-CD1 3.99Å; P100-Y203 HydrophobicContact CB-CE1 4.42Å; P100-Y203 HydrophobicContact CG-CD1 4.43Å; P100-Y203 HydrophobicContact CG-CE1 4.48Å; L101-Y203 CarbonylContact O-C 3.54Å; L101-Y203 WeakPolarHBondContact O-CA 3.38Å; H102-Y203 HydrophobicContact CB-CD1 3.92Å; H102-Y203 HydrophobicContact CB-CE1 4.07Å; Y203-E236 WeakPolarHBondContact O-CA 3.34Å; Y203-I237 PolarHBondContact O-N 2.83Å; Y203-Q239 HydrophobicContact CD2-CB 3.83Å; Y203-Q239 HydrophobicContact CD2-CG 4.29Å; Y203-Q239 HydrophobicContact CE2-CB 3.65Å; Y203-Q239 HydrophobicContact CE2-CG 3.77Å; Y203-F243 HydrophobicContact CE1-CD1 4.12Å; Y203-F243 HydrophobicContact CE1-CE1 4Å; Y203-F243 WeakPolarHBondContact OH-CE1 3.33Å
204Y95.4Very high76Confident8 Ų885.4 Ų85.43%0.03147%0.467CS..EExtended strand (participates in β ladder)trans-134.1149.5-175.8-58.7-88.3000111.8L101 D103 K125 W147 L173 H202 L234 L235 E236L101-Y204 PolarHBondContact O-N 3.06Å; D103-Y204 HydrophobicContact CB-CE2 3.77Å; D103-Y204 PolarHBondContact OD2-OH 3.42Å; K125-Y204 VanDerWaalsContact CE-OH 3.31Å; K125-Y204 WeakPolarHBondContact CE-OH 3.26Å; K125-Y204 PolarHBondContact NZ-OH 3.07Å; W147-Y204 AromaticContact CD1-CE1 3.7Å; L173-Y204 HydrophobicContact CD2-CD2 3.65Å; L173-Y204 HydrophobicContact CD2-CE2 3.74Å; L173-Y204 HydrophobicContact CD2-CG 4.14Å; H202-Y204 HydrophobicContact CB-CE2 3.75Å; H202-Y204 WeakPolarHBondContact CB-OH 3.29Å; H202-Y204 VanDerWaalsContact O-CE2 3.24Å; H202-Y204 WeakPolarHBondContact O-CE2 3.42Å; Y204-L234 HydrophobicContact CD1-CB 3.99Å; Y204-L234 HydrophobicContact CG-CB 4.42Å; Y204-L234 HydrophobicContact CG-CD1 4.46Å; Y204-L235 CarbonylContact C-O 3.58Å; Y204-L235 VanDerWaalsContact CA-O 3.31Å; Y204-L235 WeakPolarHBondContact CA-O 3.45Å; Y204-E236 HydrophobicContact CD1-CB 4.14Å; Y204-E236 HydrophobicContact CD1-CG 4.42Å; Y204-E236 HydrophobicContact CE1-CB 3.93Å; Y204-E236 HydrophobicContact CE1-CG 3.96Å
205R92.3Very high73.4Confident115 Ų11590.2 Ų90.243%0.43450%0.498SS..EExtended strand (participates in β ladder)trans-115.9131.8166.2-178.6170.160.9123.2-10109.7L207 L234 L235 I237R205-L207 PolarHBondContact O-N 3.43Å; R205-L234 WeakPolarHBondContact O-CA 3.24Å; R205-L235 PolarHBondContact N-O 3.4Å; R205-L235 PolarHBondContact O-N 3.12Å; R205-I237 HydrophobicContact CB-CD1 4.24Å; R205-I237 HydrophobicContact CB-CG2 4.19Å
206V90.7Very high71.2Confident46 Ų4690.4 Ų90.428%0.27952%0.515SS..EExtended strand (participates in β ladder)trans-69.4119.8171.9-175.30000109.3L101 L234L101-V206 HydrophobicContact CD2-CG2 3.95Å; V206-L234 HydrophobicContact CB-CD2 4.36Å; V206-L234 HydrophobicContact CG2-CD2 3.75Å
207L86.1Confident68.4Low17 Ų1787.2 Ų87.29%0.08951%0.51CS..EExtended strand (participates in β ladder)trans-83.2119.6166.9-57-179.6000107.4P133 L135 P136 V146 R205 S209 W233 L235P133-L207 HydrophobicContact CG-CD1 4.2Å; L135-L207 HydrophobicContact CD2-CD1 3.84Å; P136-L207 HydrophobicContact CG-CD2 3.98Å; V146-L207 HydrophobicContact CG1-CD1 4.18Å; R205-L207 PolarHBondContact O-N 3.43Å; L207-S209 PolarHBondContact O-N 3.2Å; L207-W233 HydrophobicContact CB-CB 4.07Å; L207-W233 HydrophobicContact CD1-CB 4.28Å; L207-W233 PolarHBondContact N-O 3.04Å; L207-L235 HydrophobicContact CD1-CB 4.07Å; L207-L235 HydrophobicContact CD2-CB 3.92Å; L207-L235 HydrophobicContact CD2-CD2 4.31Å; L207-L235 HydrophobicContact CG-CB 3.97Å
208R69.9Low66Low235 Ų23592.7 Ų92.789%0.88753%0.529SS*.PPolyproline II helixtrans-65.9130.5174.2-65.9-175.7-178.8179.1-0.4108.6
209S52.5Low63.4Low75 Ų7596.2 Ų96.252%0.52454%0.54SS..PPolyproline II helixtrans-65.1138.9163.8-173.60000108L207 A211L207-S209 PolarHBondContact O-N 3.2Å; S209-A211 PolarHBondContact O-N 2.79Å
210E43.1Very low60.5Low183 Ų183101.6 Ų101.686%0.85557%0.572SS**SBendtrans-65.816.1179-64.2-176.2148.200114
211A40.1Very low58.2Low74 Ų74106.9 Ų106.961%0.61259%0.594SS**  trans-111.241.5-172.800000113.4S209S209-A211 PolarHBondContact O-N 2.79Å
212E37.6Very low55.5Low169 Ų169113.8 Ų113.879%0.7962%0.624SS**  trans-124.1117.3163.3-84.9-70.3148.100108.9
213P35.3Very low52.9Low111 Ų111119.5 Ų119.572%0.72165%0.651SS**  trans-69.9140.3179.128.4-30.3000109.9T215P213-T215 PolarHBondContact O-N 2.78Å; P213-T215 VanDerWaalsContact O-N 3.08Å
214A33.4Very low50.1Low94 Ų94126.2 Ų126.278%0.77769%0.688SS**  trans-54.3118.1166.200000109.3
215T37.2Very low47.1Very low144 Ų144128.9 Ų128.988%0.88372%0.718SS**SBendtrans21.2111.4157.941.90000117.2P213P213-T215 PolarHBondContact O-N 2.78Å; P213-T215 VanDerWaalsContact O-N 3.08Å
216G41.5Very low44.8Very low86 Ų86130.5 Ų130.589%0.88774%0.735SS**  trans125.926.5145.200000119.9
217A31.9Very low42.6Very low89 Ų89136.7 Ų136.774%0.73676%0.758SS**  trans-124.1119.1169.500000111.1V219A217-V219 PolarHBondContact O-N 3.44Å
218K38.5Very low40.9Very low209 Ų209144.3 Ų144.391%0.90979%0.791SS**  trans-62.2125.8166.1-65.2-178.6177.1-176.40107.6
219V34.4Very low40.4Very low129 Ų129141.4 Ų141.478%0.78279%0.787SS**  trans-124.4125.2168.5-173.70000107.6A217A217-V219 PolarHBondContact O-N 3.44Å
220D32.4Very low41.8Very low156 Ų156141.8 Ų141.883%0.83478%0.783SS**  trans-63.4133.2-176.5-64.6-46.8000110.8E222D220-E222 PolarHBondContact O-N 2.86Å
221Q43.3Very low44Very low189 Ų189136.8 Ų136.888%0.88376%0.76SS**  trans-67117.2171.1-68.9176.6-7.600108.4
222E37.4Very low46.4Very low171 Ų171134 Ų13480%0.79974%0.738SS**  trans-178.5125.9132.4-101.1173.6-17600111.6D220D220-E222 PolarHBondContact O-N 2.86Å
223Q41.8Very low48.9Very low175 Ų175127.8 Ų127.882%0.81871%0.708SS**  trans80.274.2156-56.2176.332.900119.2
224L36.6Very low51.6Low175 Ų175122.5 Ų122.592%0.91667%0.673SS**SBendtrans-163.677.8136-15862000114.2
225G33.2Very low54.4Low64 Ų64118.1 Ų118.166%0.6664%0.637SS**  trans61.2103.6151.500000120.2K227G225-K227 PolarHBondContact O-N 3.4Å
226D43.6Very low57Low149 Ų149113.6 Ų113.680%0.79761%0.606SS**THydrogen-bonded Turntrans-45.7-1.3174.8-75.1-34.3000119.1
227K44.9Very low59.4Low177 Ų177111.4 Ų111.477%0.7757%0.573SS**THydrogen-bonded Turntrans-88.2-22.3-174-76.8-174.3176.9-178.70115.1G225 E231G225-K227 PolarHBondContact O-N 3.4Å; K227-E231 WeakPolarHBondContact O-CG 3.15Å
228K51.3Low62.3Low176 Ų176111.3 Ų111.377%0.76557%0.565SS**SBendtrans-86.6-28.4-174.7-79-174.6177.1-179.40114.4N230 E231K228-N230 VanDerWaalsContact C-N 3.33Å; K228-N230 PolarHBondContact O-N 2.89Å; K228-E231 PolarHBondContact O-N 2.85Å
229E59Low65Low175 Ų175106 Ų10682%0.81854%0.543SS*.THydrogen-bonded Turntrans-74.6-22.1-172-64.1-175.1173.300113.6
230N81.6Confident67.7Low82 Ų82100.7 Ų100.744%0.43951%0.512SS..THydrogen-bonded Turntrans-99.3-0.8179.4-73.6-25.4000113.8V150 L151 K228V150-N230 CarbonylContact C-O 3.58Å; V150-N230 WeakPolarHBondContact CA-O 3.29Å; V150-N230 HydrophobicContact CG2-CB 4.18Å; L151-N230 HydrophobicContact CB-CB 4.26Å; L151-N230 PolarHBondContact N-O 3.26Å; K228-N230 VanDerWaalsContact C-N 3.33Å; K228-N230 PolarHBondContact O-N 2.89Å
231E89.6Confident70.5Confident78 Ų78102.4 Ų102.436%0.36452%0.515SS..EExtended strand (participates in β ladder)trans-87.9145.3177.2-70.4-173.9174.400111.9L126 R148 S149 K227 K228L126-E231 HydrophobicContact CD1-CG 4.05Å; R148-E231 IonicContact CZ-OE2 2.75Å; R148-E231 IonicContact NH2-OE1 2.77Å; R148-E231 PolarHBondContact NH2-OE1 3.33Å; R148-E231 VanDerWaalsContact NH2-OE1 3.12Å; R148-E231 IonicContact NH2-OE2 3.94Å; R148-E231 PolarHBondContact NH2-OE2 3.06Å; S149-E231 CarbonylContact O-C 3.53Å; S149-E231 VanDerWaalsContact O-CA 3.29Å; S149-E231 WeakPolarHBondContact O-CA 3.44Å; K227-E231 WeakPolarHBondContact O-CG 3.15Å; K228-E231 PolarHBondContact O-N 2.85Å
232G89.4Confident72.6Confident15 Ų15100.3 Ų100.316%0.15551%0.505CS..EExtended strand (participates in β ladder)trans-155.7-168.5178.600000111.7S149S149-G232 PolarHBondContact N-O 3.21Å; S149-G232 PolarHBondContact O-N 2.94Å; S149-G232 PolarHBondContact OG-O 3.06Å
233W90.8Very high75.3Confident39 Ų3992.7 Ų92.715%0.14847%0.469CS..EExtended strand (participates in β ladder)trans-125.4143.3177.4-66.189.9000110.2L130 P131 V132 P133 V146 W147 R148 L207L130-W233 HydrophobicContact CB-CH2 4.13Å; L130-W233 HydrophobicContact CB-CZ2 4.14Å; P131-W233 WeakPolarHBondContact O-CH2 3.47Å; P131-W233 WeakPolarHBondContact O-CZ2 3.37Å; V132-W233 HydrophobicContact CG2-CZ3 4.42Å; P133-W233 VanDerWaalsContact CD-CE2 3.44Å; P133-W233 HydrophobicContact CG-CB 3.96Å; P133-W233 HydrophobicContact CG-CD2 3.76Å; P133-W233 HydrophobicContact CG-CE3 4.34Å; P133-W233 HydrophobicContact CG-CG 3.58Å; V146-W233 HydrophobicContact CG1-CB 4.41Å; V146-W233 HydrophobicContact CG1-CE3 3.74Å; V146-W233 HydrophobicContact CG1-CZ3 4.39Å; W147-W233 CarbonylContact O-C 3.52Å; W147-W233 WeakPolarHBondContact O-CA 3.46Å; R148-W233 HydrophobicContact CB-CE3 4.48Å; R148-W233 HydrophobicContact CG-CD2 3.85Å; R148-W233 HydrophobicContact CG-CE3 3.62Å; R148-W233 HydrophobicContact CG-CH2 3.45Å; R148-W233 VanDerWaalsContact CG-CH2 3.45Å; R148-W233 HydrophobicContact CG-CZ2 3.63Å; R148-W233 HydrophobicContact CG-CZ3 3.43Å; R148-W233 VanDerWaalsContact CG-CZ3 3.43Å; L207-W233 HydrophobicContact CB-CB 4.07Å; L207-W233 HydrophobicContact CD1-CB 4.28Å; L207-W233 PolarHBondContact N-O 3.04Å
234L92.1Very high77.7Confident0 Ų088.4 Ų88.40%045%0.446CS..EExtended strand (participates in β ladder)trans-115.2128.1176.2-60.2179.3000108.4L101 L123 V146 W147 S149 L173 Y204 R205 V206L101-L234 HydrophobicContact CD2-CD1 4.47Å; L101-L234 HydrophobicContact CD2-CD2 3.6Å; L123-L234 HydrophobicContact CD2-CD2 4.39Å; V146-L234 CarbonylContact C-O 3.59Å; V146-L234 VanDerWaalsContact CA-O 3.24Å; V146-L234 WeakPolarHBondContact CA-O 3.43Å; V146-L234 WeakPolarHBondContact CG1-O 3.44Å; W147-L234 HydrophobicContact CB-CB 4.38Å; W147-L234 PolarHBondContact N-O 3.46Å; W147-L234 PolarHBondContact O-N 2.9Å; S149-L234 WeakPolarHBondContact OG-CG 3.44Å; L173-L234 HydrophobicContact CD2-CD1 3.62Å; Y204-L234 HydrophobicContact CD1-CB 3.99Å; Y204-L234 HydrophobicContact CG-CB 4.42Å; Y204-L234 HydrophobicContact CG-CD1 4.46Å; R205-L234 WeakPolarHBondContact O-CA 3.24Å; V206-L234 HydrophobicContact CB-CD2 4.36Å; V206-L234 HydrophobicContact CG2-CD2 3.75Å
235L92.1Very high80.4Confident2 Ų282.7 Ų82.71%0.0142%0.42CS..EExtended strand (participates in β ladder)trans-96.7123.4166.6175.763.6000108L135 P136 L138 A144 V146 Y204 R205 L207 I237L135-L235 HydrophobicContact CD2-CD1 4.35Å; P136-L235 HydrophobicContact CG-CD2 4Å; L138-L235 HydrophobicContact CD2-CD1 4.38Å; L138-L235 HydrophobicContact CD2-CD2 4.15Å; A144-L235 HydrophobicContact CB-CD1 3.97Å; V146-L235 HydrophobicContact CG2-CD1 4.14Å; Y204-L235 CarbonylContact C-O 3.58Å; Y204-L235 VanDerWaalsContact CA-O 3.31Å; Y204-L235 WeakPolarHBondContact CA-O 3.45Å; R205-L235 PolarHBondContact N-O 3.4Å; R205-L235 PolarHBondContact O-N 3.12Å; L207-L235 HydrophobicContact CD1-CB 4.07Å; L207-L235 HydrophobicContact CD2-CB 3.92Å; L207-L235 HydrophobicContact CD2-CD2 4.31Å; L207-L235 HydrophobicContact CG-CB 3.97Å; L235-I237 HydrophobicContact CD2-CG2 4.32Å; L235-I237 HydrophobicContact CG-CG2 4.16Å
236E92.8Very high83.4Confident49 Ų4980.5 Ų80.523%0.22940%0.397CS..EExtended strand (participates in β ladder)trans-66.2132.3168.9-163.5178.2132.100109.8Q142 V145 H202 Y203 Y204Q142-E236 PolarHBondContact NE2-O 3.11Å; Q142-E236 VanDerWaalsContact NE2-O 3.14Å; V145-E236 HydrophobicContact CB-CB 3.89Å; V145-E236 WeakPolarHBondContact CG1-OE2 3.24Å; V145-E236 PolarHBondContact O-N 3.28Å; H202-E236 HydrophobicContact CB-CG 4.31Å; H202-E236 IonicContact CD2-OE1 2.61Å; H202-E236 PolarHBondContact CD2-OE1 3.39Å; Y203-E236 WeakPolarHBondContact O-CA 3.34Å; Y204-E236 HydrophobicContact CD1-CB 4.14Å; Y204-E236 HydrophobicContact CD1-CG 4.42Å; Y204-E236 HydrophobicContact CE1-CB 3.93Å; Y204-E236 HydrophobicContact CE1-CG 3.96Å
237I92.1Very high85.8Confident41 Ų4176.9 Ų76.921%0.2140%0.395CS..EExtended strand (participates in β ladder)trans-130.2155.4-177.357.8165.7000109.9Y203 R205 L235 P240Y203-I237 PolarHBondContact O-N 2.83Å; R205-I237 HydrophobicContact CB-CD1 4.24Å; R205-I237 HydrophobicContact CB-CG2 4.19Å; L235-I237 HydrophobicContact CD2-CG2 4.32Å; L235-I237 HydrophobicContact CG-CG2 4.16Å; I237-P240 HydrophobicContact CD1-CG 4.1Å
238P92.4Very high88.2Confident86 Ų8672.8 Ų72.856%0.55838%0.378SS*.PPolyproline II helixtrans-55.9160.3163.1-20.732.8000110.8P240P238-P240 WeakPolarHBondContact O-CD 3.25Å
239Q93.8Very high90.4Very high97 Ų9769.9 Ų69.945%0.45338%0.378SS..PPolyproline II helixtrans-49124.9168.9-177.2178.9-1600109.9Y203 E241 F243Y203-Q239 HydrophobicContact CD2-CB 3.83Å; Y203-Q239 HydrophobicContact CD2-CG 4.29Å; Y203-Q239 HydrophobicContact CE2-CB 3.65Å; Y203-Q239 HydrophobicContact CE2-CG 3.77Å; Q239-E241 PolarHBondContact O-N 2.79Å; Q239-F243 HydrophobicContact CG-CD1 4.13Å; Q239-F243 PolarHBondContact NE2-O 3.12Å
240P92.4Very high92.2Very high19 Ų1963.6 Ų63.612%0.12335%0.347CS..PPolyproline II helixtrans-58.1138.5179.4-25.434.6000111.6P100 I237 P238 E242 F243P100-P240 HydrophobicContact CB-CG 4.06Å; P100-P240 HydrophobicContact CG-CG 3.87Å; I237-P240 HydrophobicContact CD1-CG 4.1Å; P238-P240 WeakPolarHBondContact O-CD 3.25Å; P240-E242 HydrophobicContact CB-CG 4.25Å; P240-E242 WeakPolarHBondContact CB-OE2 3.42Å; P240-E242 PolarHBondContact O-N 2.64Å; P240-F243 HydrophobicContact CB-CB 4.31Å; P240-F243 PolarHBondContact O-N 3.47Å; P240-F243 VanDerWaalsContact O-O 3.06Å
241E89.8Confident93Very high192 Ų19262.7 Ų62.790%0.89735%0.345SS*.THydrogen-bonded Turntrans-61.9-30.3-177-64.6-176.7177.900112.3Q239 F243Q239-E241 PolarHBondContact O-N 2.79Å; E241-F243 VanDerWaalsContact C-N 3.25Å; E241-F243 PolarHBondContact O-N 3.12Å
242E88.5Confident93.4Very high144 Ų14459.5 Ų59.567%0.67333%0.333SS*.THydrogen-bonded Turntrans-75.7-9.8176.967-91.2-145.500114P240 W244P240-E242 HydrophobicContact CB-CG 4.25Å; P240-E242 WeakPolarHBondContact CB-OE2 3.42Å; P240-E242 PolarHBondContact O-N 2.64Å; E242-W244 WeakPolarHBondContact O-CZ3 3.14Å
243F93.1Very high93.8Very high12 Ų1260.4 Ų60.45%0.05334%0.336CS..  trans-114.9124.9-178.5177.9-102.9000111.6P74 V75 S98 I99 P100 Y203 Q239 P240 E241P74-F243 HydrophobicContact CG-CD2 4.32Å; V75-F243 HydrophobicContact CB-CE2 4.16Å; V75-F243 HydrophobicContact CG2-CD2 4.46Å; V75-F243 HydrophobicContact CG2-CE2 3.76Å; S98-F243 WeakPolarHBondContact O-CD2 3.42Å; I99-F243 HydrophobicContact CB-CE2 4.3Å; I99-F243 HydrophobicContact CB-CZ 4.46Å; I99-F243 HydrophobicContact CG1-CE2 4.05Å; I99-F243 HydrophobicContact CG1-CZ 4.31Å; I99-F243 HydrophobicContact CG2-CE2 4.3Å; I99-F243 HydrophobicContact CG2-CZ 3.98Å; P100-F243 HydrophobicContact CG-CB 3.7Å; P100-F243 HydrophobicContact CG-CD1 3.98Å; P100-F243 HydrophobicContact CG-CD2 4.05Å; P100-F243 HydrophobicContact CG-CG 3.62Å; Y203-F243 HydrophobicContact CE1-CD1 4.12Å; Y203-F243 HydrophobicContact CE1-CE1 4Å; Y203-F243 WeakPolarHBondContact OH-CE1 3.33Å; Q239-F243 HydrophobicContact CG-CD1 4.13Å; Q239-F243 PolarHBondContact NE2-O 3.12Å; P240-F243 HydrophobicContact CB-CB 4.31Å; P240-F243 PolarHBondContact O-N 3.47Å; P240-F243 VanDerWaalsContact O-O 3.06Å; E241-F243 VanDerWaalsContact C-N 3.25Å; E241-F243 PolarHBondContact O-N 3.12Å
244W93.4Very high94Very high84 Ų8464.8 Ų64.832%0.31837%0.367SS..  trans-151.3151.4166.166.8104.8000110.3Q71 P73 P74 E242Q71-W244 HydrophobicContact CB-CH2 4.18Å; Q71-W244 HydrophobicContact CB-CZ2 4.11Å; P73-W244 VanDerWaalsContact CA-CE2 3.46Å; P73-W244 VanDerWaalsContact CA-NE1 3.29Å; P74-W244 VanDerWaalsContact CD-O 3.3Å; P74-W244 WeakPolarHBondContact CD-O 3.5Å; P74-W244 HydrophobicContact CG-CD2 4.38Å; P74-W244 HydrophobicContact CG-CE3 4.12Å; P74-W244 HydrophobicContact CG-CZ3 4.29Å; P74-W244 WeakPolarHBondContact CG-O 3.33Å; E242-W244 WeakPolarHBondContact O-CZ3 3.14Å
245C93.4Very high94.2Very high56 Ų5665.6 Ų65.638%0.37837%0.372SS..EExtended strand (participates in β ladder)trans-103.7120.8179.2-161.90000110.3V75 Y77V75-C245 WeakPolarHBondContact O-CA 3.47Å; Y77-C245 WeakPolarHBondContact CB-SG 3.39Å
246G94.6Very high94.3Very high17 Ų1769.5 Ų69.518%0.17540%0.399CS..EExtended strand (participates in β ladder)trans-90.6146.2173.400000112.4V75 T76 Y77V75-G246 PolarHBondContact O-N 3.08Å; T76-G246 CarbonylContact C-O 3.44Å; T76-G246 WeakPolarHBondContact CA-O 3.19Å; T76-G246 WeakPolarHBondContact CB-O 3.22Å; Y77-G246 PolarHBondContact N-O 2.82Å
247G95.6Very high93.9Very high73 Ų7371.5 Ų71.575%0.75341%0.411SS*.EExtended strand (participates in β ladder)trans-84.6138.4173.800000112.6
248E94.9Very high94Very high91 Ų9173.1 Ų73.143%0.42542%0.421SS..  trans-136.7150.3172.1-69.2-172163.900111.6T76 Y77 M78T76-E248 HydrophobicContact CG2-CG 4.02Å; T76-E248 PolarHBondContact OG1-OE2 2.74Å; Y77-E248 PolarHBondContact O-N 3.42Å; M78-E248 WeakPolarHBondContact CA-O 3.01Å; M78-E248 HydrophobicContact CE-CB 4.32Å; M78-E248 HydrophobicContact CG-CB 4.26Å
249P97Very high94.1Very high116 Ų11672.4 Ų72.475%0.75341%0.414SS*.  trans-70.4136.9-177.328.2-34.5000112.1P251P249-P251 WeakPolarHBondContact O-CD 3.35Å
250Y97.9Very high94.1Very high43 Ų4371 Ų7117%0.16941%0.412CS..  trans-76.7120.7175173.9-116.8000111.7L54 H79 I80 G252 P253L54-Y250 HydrophobicContact CB-CE2 4.07Å; L54-Y250 HydrophobicContact CD2-CE2 3.86Å; L54-Y250 WeakPolarHBondContact CD2-OH 3.36Å; H79-Y250 WeakPolarHBondContact O-CB 3.2Å; I80-Y250 HydrophobicContact CD1-CD2 4.26Å; I80-Y250 HydrophobicContact CD1-CE2 3.85Å; I80-Y250 HydrophobicContact CG1-CD1 4.14Å; I80-Y250 HydrophobicContact CG1-CD2 3.79Å; I80-Y250 HydrophobicContact CG1-CE1 4.13Å; I80-Y250 HydrophobicContact CG1-CE2 3.79Å; I80-Y250 HydrophobicContact CG1-CG 3.96Å; I80-Y250 HydrophobicContact CG2-CE1 4.33Å; Y250-G252 VanDerWaalsContact CZ-CA 3.42Å; Y250-P253 WeakPolarHBondContact CE1-O 3.21Å
251P97.6Very high94.2Very high62 Ų6274.1 Ų74.140%0.40343%0.429SS..  trans-87.5-9.4-174.434.2-36.1000114.2K55 I56 P249K55-P251 WeakPolarHBondContact CD-O 3.29Å; I56-P251 HydrophobicContact CG1-CG 4.36Å; P249-P251 WeakPolarHBondContact O-CD 3.35Å
252G97.3Very high94.5Very high11 Ų1166.7 Ų66.711%0.11340%0.399CS..SBendtrans-79.9-170.2-168.900000115.2L54 Y250L54-G252 WeakPolarHBondContact O-CA 3.27Å; L54-G252 PolarHBondContact O-N 3.47Å; Y250-G252 VanDerWaalsContact CZ-CA 3.42Å
253P97.4Very high94.9Very high34 Ų3461.5 Ų61.522%0.22138%0.381CS..  trans-62.5134.7175.4-20.333.3000112A8 I10 D53 Y250A8-P253 HydrophobicContact CB-CB 3.71Å; A8-P253 HydrophobicContact CB-CG 3.88Å; I10-P253 HydrophobicContact CG2-CB 4.23Å; I10-P253 HydrophobicContact CG2-CG 4.35Å; D53-P253 VanDerWaalsContact O-CD 3.31Å; D53-P253 WeakPolarHBondContact O-CD 3.49Å; Y250-P253 WeakPolarHBondContact CE1-O 3.21Å
254V96Very high95Very high131 Ų13165.1 Ų65.179%0.79441%0.405SS*.  trans-59.1138.4175.5179.70000110.5
255V96.7Very high95.1Very high18 Ų1863.6 Ų63.611%0.10941%0.411CS..  trans-109.2131.5176.2176.70000109.4I10 A14 I80 C81 I257I10-V255 HydrophobicContact CB-CG2 4.47Å; I10-V255 HydrophobicContact CG1-CG2 4.04Å; I10-V255 HydrophobicContact CG2-CG2 3.86Å; A14-V255 HydrophobicContact CB-CG1 3.44Å; A14-V255 VanDerWaalsContact CB-CG1 3.44Å; I80-V255 HydrophobicContact CG2-CB 4.01Å; I80-V255 HydrophobicContact CG2-CG2 3.56Å; C81-V255 HydrophobicContact CB-CB 4.38Å; C81-V255 HydrophobicContact CB-CG1 4.11Å; V255-I257 HydrophobicContact CG1-CD1 3.95Å; V255-I257 HydrophobicContact CG1-CG1 4.22Å
256S92.6Very high95.3Very high83 Ų8364.3 Ų64.358%0.5841%0.414SS*.  trans-126.4128173.7177.80000109Q11Q11-S256 PolarHBondContact NE2-O 3.41Å; Q11-S256 PolarHBondContact OE1-O 3.34Å
257I85.6Confident95.3Very high92 Ų9268.5 Ų68.547%0.47244%0.436SS..  trans-108.20179.9-56.3-61.8000110.3A14 K15 F18 T83 F86 V255A14-I257 VanDerWaalsContact C-CD1 3.45Å; A14-I257 HydrophobicContact CB-CD1 3.33Å; A14-I257 HydrophobicContact CB-CG1 4.37Å; K15-I257 HydrophobicContact CG-CD1 4.37Å; F18-I257 HydrophobicContact CB-CG2 3.93Å; F18-I257 HydrophobicContact CD1-CG2 4.42Å; F18-I257 HydrophobicContact CD2-CG2 3.56Å; F18-I257 HydrophobicContact CE2-CG2 4.13Å; F18-I257 HydrophobicContact CG-CG2 3.71Å; T83-I257 HydrophobicContact CG2-CB 4.02Å; T83-I257 HydrophobicContact CG2-CG1 4.34Å; T83-I257 HydrophobicContact CG2-CG2 3.93Å; F86-I257 HydrophobicContact CE1-CG1 4.46Å; F86-I257 HydrophobicContact CZ-CD1 4.16Å; F86-I257 HydrophobicContact CZ-CG1 4.14Å; V255-I257 HydrophobicContact CG1-CD1 3.95Å; V255-I257 HydrophobicContact CG1-CG1 4.22Å

Retrieved 257 of 257 residues in 55.5 ms (Link to these results)

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