A0A078BQH5_CAEEL Loading...

PAN-3 domain-containing protein

AlphaFold DB , UniProt , Accession A0A078BQH5, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 322 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.9Very low42.6Very low231 Ų231154.7 Ų154.7100%1.13881%0.81SS**  088.20-83.7165.166.500108.2
2L40.2Very low43Very low167 Ų167149.1 Ų149.187%0.87479%0.794SS**  trans-104111.4167.9-97.693.9000107.1L4L2-L4 PolarHBondContact O-N 3.32Å
3L39.6Very low44Very low168 Ų168146.1 Ų146.188%0.8877%0.772SS**  trans-72.9106.8169-88.4135.6000107.8
4L39.7Very low45.2Very low147 Ų147143.5 Ų143.577%0.7775%0.754SS**  trans-73.1121.9167.2-118.484.8000107.9L2 L6L2-L4 PolarHBondContact O-N 3.32Å; L4-L6 PolarHBondContact O-N 2.87Å
5P44.4Very low46.5Very low103 Ų103136.4 Ų136.467%0.66972%0.724SS**  trans-71.8119175.528.4-29.5000108.6I7P5-I7 VanDerWaalsContact C-N 3.29Å; P5-I7 PolarHBondContact O-N 3.29Å
6L44.5Very low47.9Very low142 Ų142135.4 Ų135.474%0.74371%0.711SS**  trans-61.794.3166.5-109.188.8000107.8L4 F8L4-L6 PolarHBondContact O-N 2.87Å; L6-F8 VanDerWaalsContact C-N 3.27Å; L6-F8 HydrophobicContact CB-CD2 4.36Å; L6-F8 HydrophobicContact CB-CE2 4.37Å; L6-F8 HydrophobicContact CD2-CD2 4.44Å; L6-F8 HydrophobicContact CD2-CE2 3.86Å; L6-F8 HydrophobicContact CD2-CZ 4.25Å; L6-F8 PolarHBondContact O-N 2.98Å
7I45.1Very low49Very low135 Ų135129.2 Ų129.269%0.69268%0.682SS**  trans-68.495.5163.3-64.9170000105.1P5 L9P5-I7 VanDerWaalsContact C-N 3.29Å; P5-I7 PolarHBondContact O-N 3.29Å; I7-L9 HydrophobicContact CG2-CD1 4.35Å; I7-L9 PolarHBondContact O-N 2.85Å
8F42.1Very low49.9Very low173 Ų173126.6 Ų126.676%0.75967%0.668SS**  trans-62.689.7163.7-88.8-92.1000107L6 V10L6-F8 VanDerWaalsContact C-N 3.27Å; L6-F8 HydrophobicContact CB-CD2 4.36Å; L6-F8 HydrophobicContact CB-CE2 4.37Å; L6-F8 HydrophobicContact CD2-CD2 4.44Å; L6-F8 HydrophobicContact CD2-CE2 3.86Å; L6-F8 HydrophobicContact CD2-CZ 4.25Å; L6-F8 PolarHBondContact O-N 2.98Å; F8-V10 PolarHBondContact O-N 2.85Å
9L41Very low51.3Low146 Ų146125.1 Ų125.176%0.76466%0.661SS**  trans-60.794.7158.6-94.9124.1000105.9I7 L11I7-L9 HydrophobicContact CG2-CD1 4.35Å; I7-L9 PolarHBondContact O-N 2.85Å; L9-L11 VanDerWaalsContact C-N 3.25Å; L9-L11 PolarHBondContact O-N 2.87Å
10V43.9Very low53Low130 Ų130120.8 Ų120.879%0.78864%0.635SS**  trans-57.2100.9163-179.50000104.8F8 S12F8-V10 PolarHBondContact O-N 2.85Å; V10-S12 PolarHBondContact O-N 3.06Å
11L42.9Very low55Low160 Ų160115 Ų11584%0.83861%0.605SS**  trans-56.992.2172.3-83.8144.8000106.6L9 Q13L9-L11 VanDerWaalsContact C-N 3.25Å; L9-L11 PolarHBondContact O-N 2.87Å; L11-Q13 PolarHBondContact O-N 2.76Å
12S47.3Very low57.3Low87 Ų87104 Ų10461%0.60855%0.551SS**  trans-60.8114.6175.466.60000106.5V10 Q14V10-S12 PolarHBondContact O-N 3.06Å; S12-Q14 PolarHBondContact O-N 3.19Å
13Q55.8Low59.9Low110 Ų11096.5 Ų96.551%0.51451%0.512SS..  trans-59.2108.9170.7-67177.418.500106.7L11 A15L11-Q13 PolarHBondContact O-N 2.76Å; Q13-A15 PolarHBondContact O-N 3.44Å; Q13-A15 VanDerWaalsContact O-N 3.1Å
14Q61Low62.6Low110 Ų11089 Ų8951%0.51447%0.473SS..  trans-78.696.4-179.9-66.9-179.8800107.7S12 F16S12-Q14 PolarHBondContact O-N 3.19Å; Q14-F16 HydrophobicContact CB-CD2 4.48Å; Q14-F16 HydrophobicContact CB-CE2 3.67Å; Q14-F16 HydrophobicContact CB-CZ 3.9Å
15A64.5Low65.2Low37 Ų3785 Ų8531%0.30645%0.45SS..  trans-81.5136.6160.400000108.1Q13 I22 S23 P107 F110Q13-A15 PolarHBondContact O-N 3.44Å; Q13-A15 VanDerWaalsContact O-N 3.1Å; A15-I22 HydrophobicContact CB-CG2 4.35Å; A15-S23 WeakPolarHBondContact CA-O 3.36Å; A15-P107 HydrophobicContact CB-CB 3.71Å; A15-P107 HydrophobicContact CB-CG 3.81Å; A15-F110 HydrophobicContact CB-CE1 4.43Å
16F69.2Low67.7Low120 Ų12080.1 Ų80.153%0.52642%0.418SS..EExtended strand (participates in β ladder)trans-115.4146.6170.1-61.4-85.9000108.7Q14 S23Q14-F16 HydrophobicContact CB-CD2 4.48Å; Q14-F16 HydrophobicContact CB-CE2 3.67Å; Q14-F16 HydrophobicContact CB-CZ 3.9Å; F16-S23 PolarHBondContact N-O 3.06Å; F16-S23 PolarHBondContact O-N 2.98Å
17C67.5Low70.1Confident30 Ų3074.7 Ų74.720%0.20339%0.391CS..EExtended strand (participates in β ladder)trans-135.7112.3-174.8169.20000109.7M21 I22 C101C17-M21 WeakPolarHBondContact CA-O 3.33Å; C17-I22 HydrophobicContact CB-CD1 3.61Å; C17-I22 VanDerWaalsContact SG-CD1 3.58Å; C17-C101 HydrophobicContact CB-CB 3.27Å; C17-C101 WeakPolarHBondContact CB-SG 3.46Å; C17-C101 WeakPolarHBondContact SG-CB 3.38Å; C17-C101 CovalentContact SG-SG 2.02Å; C17-C101 PolarHBondContact SG-SG 2.87Å
18D64.7Low72.5Confident83 Ų8370 Ų7044%0.44437%0.367SS..EExtended strand (participates in β ladder)trans-125.4130.9175.2-73-38.4000107.2W20 M21D18-W20 PolarHBondContact O-N 3.27Å; D18-M21 PolarHBondContact N-O 2.95Å; D18-M21 WeakPolarHBondContact O-CA 3.06Å; D18-M21 WeakPolarHBondContact O-CB 3.47Å; D18-M21 PolarHBondContact O-N 3.42Å
19D75.8Confident75Confident98 Ų9867.1 Ų67.152%0.52436%0.355SS..THydrogen-bonded Turntrans50.531.1178.8-60.1-41.4000114.6M21 A50D19-M21 PolarHBondContact O-N 2.77Å; D19-A50 HydrophobicContact CB-CB 3.62Å
20W86.5Confident77.3Confident38 Ų3865.8 Ų65.814%0.14435%0.345CS..THydrogen-bonded Turntrans62.224.8-175-66.175.8000114.9D18 I92 K94 P102D18-W20 PolarHBondContact O-N 3.27Å; W20-I92 WeakPolarHBondContact CB-O 3.43Å; W20-I92 HydrophobicContact CE3-CD1 4.27Å; W20-I92 HydrophobicContact CE3-CG1 4.27Å; W20-I92 WeakPolarHBondContact O-CG1 3.27Å; W20-I92 PolarHBondContact O-N 3.3Å; W20-K94 VanDerWaalsContact CD2-CA 3.5Å; W20-K94 HydrophobicContact CD2-CB 3.5Å; W20-K94 HydrophobicContact CD2-CD 4.35Å; W20-K94 HydrophobicContact CD2-CG 3.88Å; W20-K94 VanDerWaalsContact CE3-CA 3.41Å; W20-K94 HydrophobicContact CE3-CB 3.99Å; W20-K94 HydrophobicContact CE3-CG 4.43Å; W20-K94 HydrophobicContact CG-CB 3.78Å; W20-K94 HydrophobicContact CG-CG 4.41Å; W20-K94 HydrophobicContact CH2-CB 4.37Å; W20-K94 HydrophobicContact CH2-CG 3.95Å; W20-K94 HydrophobicContact CZ2-CB 4.01Å; W20-K94 HydrophobicContact CZ2-CD 3.8Å; W20-K94 HydrophobicContact CZ2-CG 3.4Å; W20-K94 HydrophobicContact CZ3-CB 4.37Å; W20-K94 HydrophobicContact CZ3-CG 4.44Å; W20-P102 HydrophobicContact CZ3-CG 4.47Å
21M93.8Very high79.6Confident0 Ų061.4 Ų61.40%032%0.323CS..EExtended strand (participates in β ladder)trans-92.3114.7164.2-59.3-70.4-62.200109.4C17 D18 D19 V46 C49 A50 A58 S89 F90 K91C17-M21 WeakPolarHBondContact CA-O 3.33Å; D18-M21 PolarHBondContact N-O 2.95Å; D18-M21 WeakPolarHBondContact O-CA 3.06Å; D18-M21 WeakPolarHBondContact O-CB 3.47Å; D18-M21 PolarHBondContact O-N 3.42Å; D19-M21 PolarHBondContact O-N 2.77Å; M21-V46 HydrophobicContact CB-CG1 3.39Å; M21-V46 HydrophobicContact CE-CG1 4.38Å; M21-V46 HydrophobicContact CG-CG1 3.69Å; M21-C49 HydrophobicContact CE-CB 3.94Å; M21-C49 VanDerWaalsContact CE-SG 3.54Å; M21-A50 HydrophobicContact CG-CB 3.6Å; M21-A50 HydrophobicContact SD-CB 4.08Å; M21-A58 HydrophobicContact CE-CB 4.31Å; M21-S89 WeakPolarHBondContact CB-OG 3.24Å; M21-S89 VanDerWaalsContact CE-O 3.32Å; M21-S89 WeakPolarHBondContact CE-O 3.17Å; M21-F90 CarbonylContact C-O 3.6Å; M21-F90 VanDerWaalsContact CA-O 3.28Å; M21-F90 WeakPolarHBondContact CA-O 3.46Å; M21-K91 HydrophobicContact CE-CB 4.31Å; M21-K91 WeakPolarHBondContact SD-CA 3.33Å; M21-K91 HydrophobicContact SD-CB 3.43Å; M21-K91 WeakPolarHBondContact SD-CB 3.46Å; M21-K91 HydrophobicContact SD-CD 4.12Å; M21-K91 HydrophobicContact SD-CG 3.6Å; M21-K91 VanDerWaalsContact SD-CG 3.6Å
22I94Very high81.8Confident1 Ų155.5 Ų55.51%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-93.7107.7-179.8-53.8-56.7000110.1A15 C17 V24 S89 F90 I92 P102 P107 P108 F110A15-I22 HydrophobicContact CB-CG2 4.35Å; C17-I22 HydrophobicContact CB-CD1 3.61Å; C17-I22 VanDerWaalsContact SG-CD1 3.58Å; I22-V24 HydrophobicContact CG2-CG1 4.34Å; I22-S89 WeakPolarHBondContact O-CA 3.17Å; I22-F90 PolarHBondContact N-O 2.83Å; I22-F90 PolarHBondContact O-N 2.83Å; I22-I92 HydrophobicContact CD1-CD1 3.95Å; I22-I92 HydrophobicContact CD1-CG1 4.47Å; I22-I92 HydrophobicContact CG1-CD1 3.43Å; I22-I92 VanDerWaalsContact CG1-CD1 3.43Å; I22-I92 HydrophobicContact CG1-CG1 3.84Å; I22-P102 HydrophobicContact CD1-CG 4.46Å; I22-P107 HydrophobicContact CG2-CB 3.89Å; I22-P108 HydrophobicContact CB-CB 3.98Å; I22-P108 HydrophobicContact CG1-CB 4.35Å; I22-P108 HydrophobicContact CG2-CB 4.06Å; I22-F110 HydrophobicContact CD1-CE2 4.38Å; I22-F110 HydrophobicContact CD1-CZ 4.23Å; I22-F110 HydrophobicContact CG1-CE2 4.23Å; I22-F110 HydrophobicContact CG1-CZ 4.34Å; I22-F110 HydrophobicContact CG2-CE2 4.24Å; I22-F110 HydrophobicContact CG2-CZ 3.77Å
23S95.1Very high83.9Confident9 Ų956.4 Ų56.46%0.06331%0.307CS..EExtended strand (participates in β ladder)trans-86.1130.3-178.5-58.30000112.1A15 F16 V88 S89A15-S23 WeakPolarHBondContact CA-O 3.36Å; F16-S23 PolarHBondContact N-O 3.06Å; F16-S23 PolarHBondContact O-N 2.98Å; S23-V88 CarbonylContact C-O 3.51Å; S23-V88 VanDerWaalsContact CA-O 3.25Å; S23-V88 WeakPolarHBondContact CA-O 3.43Å; S23-S89 PolarHBondContact N-OG 3.1Å; S23-S89 PolarHBondContact OG-OG 2.93Å
24V95.1Very high85.6Confident11 Ų1152.7 Ų52.77%0.06729%0.293CS..EExtended strand (participates in β ladder)trans-143.2161.9178.6-58.80000111.1I22 G26 R87 V88 F90 P107 W142I22-V24 HydrophobicContact CG2-CG1 4.34Å; V24-G26 PolarHBondContact O-N 3.49Å; V24-R87 CarbonylContact O-C 3.54Å; V24-R87 VanDerWaalsContact O-CA 3.32Å; V24-R87 WeakPolarHBondContact O-CA 3.37Å; V24-V88 HydrophobicContact CG2-CG2 3.55Å; V24-V88 PolarHBondContact N-O 3.23Å; V24-V88 PolarHBondContact O-N 3.05Å; V24-V88 VanDerWaalsContact O-O 3.14Å; V24-F90 HydrophobicContact CG2-CD2 4.31Å; V24-F90 HydrophobicContact CG2-CE2 3.86Å; V24-P107 HydrophobicContact CG1-CB 3.54Å; V24-P107 HydrophobicContact CG1-CG 3.47Å; V24-P107 VanDerWaalsContact CG1-CG 3.47Å; V24-W142 HydrophobicContact CB-CH2 4.33Å; V24-W142 HydrophobicContact CG2-CH2 3.79Å; V24-W142 HydrophobicContact CG2-CZ2 4.43Å; V24-W142 HydrophobicContact CG2-CZ3 3.9Å
25F95.6Very high87Confident62 Ų6251.2 Ų51.227%0.27229%0.288SS..EExtended strand (participates in β ladder)trans-74.7122.7170.1-65.1-76.1000109.9L80 K82 E86F25-L80 HydrophobicContact CB-CB 4.26Å; F25-L80 WeakPolarHBondContact CB-O 3.28Å; F25-L80 PolarHBondContact O-N 2.77Å; F25-K82 HydrophobicContact CD1-CB 4.46Å; F25-K82 HydrophobicContact CD2-CB 4.08Å; F25-K82 HydrophobicContact CE1-CB 4.09Å; F25-K82 HydrophobicContact CE1-CG 3.94Å; F25-K82 HydrophobicContact CE2-CB 3.67Å; F25-K82 HydrophobicContact CE2-CD 4.33Å; F25-K82 HydrophobicContact CE2-CG 3.96Å; F25-K82 HydrophobicContact CG-CB 4.47Å; F25-K82 HydrophobicContact CZ-CB 3.69Å; F25-K82 HydrophobicContact CZ-CD 4.02Å; F25-K82 HydrophobicContact CZ-CG 3.5Å; F25-K82 VanDerWaalsContact CZ-CG 3.5Å; F25-E86 WeakPolarHBondContact CD1-O 3.37Å
26G96.1Very high88Confident0 Ų055.4 Ų55.40%030%0.304CS..EExtended strand (participates in β ladder)trans-174.3164-17600000112.1V24 K78 E86V24-G26 PolarHBondContact O-N 3.49Å; G26-K78 CarbonylContact C-O 3.19Å; G26-K78 WeakPolarHBondContact CA-O 3.49Å; G26-E86 PolarHBondContact N-O 2.96Å; G26-E86 CarbonylContact O-C 3.57Å; G26-E86 WeakPolarHBondContact O-CB 3.17Å
27T95.7Very high88.9Confident28 Ų2851 Ų5117%0.17229%0.287CS..EExtended strand (participates in β ladder)trans-139.1157.5175-169.90000110.3H29 V77 K78 L80 E86T27-H29 PolarHBondContact O-N 2.6Å; T27-V77 CarbonylContact O-C 3.6Å; T27-V77 WeakPolarHBondContact O-CA 3.25Å; T27-V77 WeakPolarHBondContact O-CG1 3.32Å; T27-K78 HydrophobicContact CG2-CB 4.22Å; T27-K78 PolarHBondContact N-O 2.86Å; T27-K78 PolarHBondContact O-N 3.4Å; T27-L80 HydrophobicContact CG2-CD1 3.71Å; T27-L80 HydrophobicContact CG2-CD2 4.36Å; T27-L80 HydrophobicContact CG2-CG 4.18Å; T27-E86 VanDerWaalsContact CB-OE2 3.28Å; T27-E86 WeakPolarHBondContact CB-OE2 3.48Å; T27-E86 PolarHBondContact OG1-OE1 2.97Å; T27-E86 PolarHBondContact OG1-OE2 2.93Å
28I95.1Very high89.9Confident37 Ų3756.4 Ų56.419%0.1932%0.319CS..EExtended strand (participates in β ladder)trans-68.7119.5179.5-55.5-64.5000109A31 L57 H59 Y69 V77I28-A31 HydrophobicContact CG2-CB 3.53Å; I28-L57 HydrophobicContact CD1-CD2 3.37Å; I28-H59 HydrophobicContact CD1-CB 4.3Å; I28-H59 HydrophobicContact CG1-CB 4.32Å; I28-H59 WeakPolarHBondContact CG1-ND1 3.4Å; I28-Y69 HydrophobicContact CD1-CD2 3.95Å; I28-Y69 HydrophobicContact CD1-CE1 4.38Å; I28-Y69 HydrophobicContact CD1-CE2 3.54Å; I28-Y69 HydrophobicContact CG1-CE1 4.44Å; I28-Y69 HydrophobicContact CG1-CE2 3.69Å; I28-Y69 HydrophobicContact CG2-CE1 4.35Å; I28-V77 HydrophobicContact CD1-CG2 4.29Å
29H94.2Very high90.9Very high113 Ų11354.3 Ų54.352%0.52331%0.308SS..EExtended strand (participates in β ladder)trans-91.2-42175.5-176.449.2000111.3T27 Y76 K78 L141T27-H29 PolarHBondContact O-N 2.6Å; H29-Y76 WeakPolarHBondContact CA-O 3.35Å; H29-Y76 WeakPolarHBondContact CB-O 3.14Å; H29-Y76 PolarHBondContact N-O 2.81Å; H29-K78 HydrophobicContact CB-CB 4.16Å; H29-L141 HydrophobicContact CB-CD2 4.3Å
30Q90.8Very high91.5Very high117 Ų11755.3 Ų55.355%0.54732%0.318SS..EExtended strand (participates in β ladder)trans-151.4119.9178.6-177.5-179.21.900109.4G75 Y76Q30-G75 CarbonylContact O-C 3.51Å; Q30-G75 VanDerWaalsContact O-CA 3.27Å; Q30-G75 WeakPolarHBondContact O-CA 3.45Å; Q30-G75 PolarHBondContact O-N 2.95Å; Q30-Y76 HydrophobicContact CB-CD2 4.22Å; Q30-Y76 PolarHBondContact N-O 3.17Å; Q30-Y76 PolarHBondContact O-N 2.78Å
31A90.7Very high91.8Very high38 Ų3857 Ų5731%0.31433%0.329SS..EExtended strand (participates in β ladder)trans-159.9165.417300000110.1I28 Y69 I73I28-A31 HydrophobicContact CG2-CB 3.53Å; A31-Y69 HydrophobicContact CB-CD1 3.7Å; A31-Y69 HydrophobicContact CB-CE1 3.49Å; A31-Y69 VanDerWaalsContact CB-CE1 3.49Å; A31-I73 CarbonylContact C-O 3.54Å; A31-I73 WeakPolarHBondContact CA-O 3.08Å; A31-I73 VanDerWaalsContact CB-O 3.28Å; A31-I73 WeakPolarHBondContact CB-O 3.38Å
32G90.1Very high91.8Very high37 Ų3757.5 Ų57.538%0.38133%0.331SS..  trans-72.8-171.4163.400000112.5I73G32-I73 PolarHBondContact N-O 2.81Å
33S90.2Very high91.8Very high106 Ų10662 Ų6274%0.74136%0.355SS*.  trans-69.5125.1-179.5-610000111.3I73S33-I73 WeakPolarHBondContact O-CD1 3.04Å
34P92.3Very high91.8Very high32 Ų3267.5 Ų67.521%0.20838%0.38CS..  trans-73.6164176.129.9-33.8000112.5I36 H67 W68 Y69P34-I36 HydrophobicContact CG-CG1 4.5Å; P34-I36 PolarHBondContact O-N 2.72Å; P34-H67 HydrophobicContact CB-CB 3.81Å; P34-H67 HydrophobicContact CG-CB 4.01Å; P34-W68 WeakPolarHBondContact CA-O 3.44Å; P34-W68 WeakPolarHBondContact CB-O 3.38Å; P34-Y69 HydrophobicContact CB-CD1 4.1Å; P34-Y69 HydrophobicContact CB-CD2 4.26Å; P34-Y69 HydrophobicContact CB-CE1 3.69Å; P34-Y69 HydrophobicContact CB-CE2 3.86Å; P34-Y69 HydrophobicContact CB-CG 4.37Å; P34-Y69 HydrophobicContact CG-CE1 4.11Å; P34-Y69 HydrophobicContact CG-CE2 4.46Å
35N89.6Confident91.8Very high78 Ų7867 Ų6742%0.41738%0.377SS..EExtended strand (participates in β ladder)trans-76.7112.7158-70-28.7000108.7W68N35-W68 HydrophobicContact CB-CB 4.28Å; N35-W68 PolarHBondContact N-O 2.78Å; N35-W68 PolarHBondContact O-N 3.35Å
36I86.8Confident91.8Very high125 Ų12564 Ų6464%0.64136%0.364SS*.EExtended strand (participates in β ladder)trans-82123.8176.3-56.7175.9000108.3P34P34-I36 HydrophobicContact CG-CG1 4.5Å; P34-I36 PolarHBondContact O-N 2.72Å
37T88.1Confident91.8Very high27 Ų2769.8 Ų69.817%0.16639%0.389CS..  trans-100.3161-179.976.90000111.4I39 C66 W68T37-I39 PolarHBondContact OG1-N 3.42Å; T37-C66 PolarHBondContact N-O 3.46Å; T37-C66 VanDerWaalsContact N-O 3.08Å; T37-C66 VanDerWaalsContact OG1-CB 3.26Å; T37-C66 WeakPolarHBondContact OG1-CB 2.85Å; T37-C66 PolarHBondContact OG1-O 2.84Å; T37-C66 VanDerWaalsContact OG1-O 3.06Å; T37-C66 PolarHBondContact OG1-SG 2.83Å; T37-W68 HydrophobicContact CG2-CD2 3.57Å; T37-W68 HydrophobicContact CG2-CE3 3.87Å; T37-W68 HydrophobicContact CG2-CG 3.97Å; T37-W68 HydrophobicContact CG2-CH2 4.2Å; T37-W68 HydrophobicContact CG2-CZ2 3.91Å; T37-W68 HydrophobicContact CG2-CZ3 4.19Å
38T88Confident91.7Very high144 Ų14469.4 Ų69.488%0.88339%0.39SS*.SBendtrans-854.9170.458.10000112.8
39I86.5Confident91.7Very high40 Ų4067.6 Ų67.621%0.20538%0.381CS..  trans-80.9122.4-176.4-57.8171.5000108.8T37 D41 E44 C45 C66 W68T37-I39 PolarHBondContact OG1-N 3.42Å; I39-D41 VanDerWaalsContact CG2-O 3.28Å; I39-D41 WeakPolarHBondContact CG2-O 2.91Å; I39-E44 HydrophobicContact CG2-CB 3.62Å; I39-C45 HydrophobicContact CG2-CB 4.07Å; I39-C66 HydrophobicContact CB-CB 4.49Å; I39-C66 WeakPolarHBondContact O-CB 3.36Å; I39-W68 HydrophobicContact CD1-CH2 4.13Å; I39-W68 HydrophobicContact CD1-CZ2 3.74Å
40T86.6Confident91.7Very high119 Ų11963 Ų6373%0.7336%0.362SS*.  trans-103.5-17.6179.257.50000113.2
41D93.6Very high91.8Very high73 Ų7362.7 Ų62.739%0.3937%0.365SS..SBendtrans-85.6128.6172.5-179.2-91.8000110.3I39 N43 E44 C45I39-D41 VanDerWaalsContact CG2-O 3.28Å; I39-D41 WeakPolarHBondContact CG2-O 2.91Å; D41-N43 PolarHBondContact O-N 3.23Å; D41-N43 WeakPolarHBondContact OD1-CA 3.23Å; D41-N43 WeakPolarHBondContact OD1-CB 3.02Å; D41-N43 PolarHBondContact OD1-N 3.37Å; D41-E44 HydrophobicContact CB-CB 4.12Å; D41-E44 HydrophobicContact CB-CG 4.08Å; D41-E44 PolarHBondContact O-N 3.24Å; D41-E44 PolarHBondContact OD1-N 2.95Å; D41-C45 WeakPolarHBondContact O-CB 3.25Å; D41-C45 PolarHBondContact O-N 3.44Å
42W93.8Very high91.9Very high11 Ų1164.5 Ų64.54%0.04237%0.366CS..Hα-helixtrans-66.2-37.8-177.7171-105.4000114.2E44 C45 V46 A58 E60 R87W42-E44 VanDerWaalsContact C-N 3.3Å; W42-C45 HydrophobicContact CE3-CB 4.22Å; W42-C45 VanDerWaalsContact O-CB 3.32Å; W42-C45 WeakPolarHBondContact O-CB 3.49Å; W42-C45 PolarHBondContact O-N 3.34Å; W42-V46 HydrophobicContact CD2-CG2 3.71Å; W42-V46 HydrophobicContact CE3-CG2 4.07Å; W42-V46 HydrophobicContact CG-CG2 4.32Å; W42-V46 HydrophobicContact CH2-CG2 3.8Å; W42-V46 HydrophobicContact CZ2-CG2 3.39Å; W42-V46 HydrophobicContact CZ3-CG2 4.1Å; W42-V46 WeakPolarHBondContact O-CG2 3.42Å; W42-V46 PolarHBondContact O-N 3.23Å; W42-A58 HydrophobicContact CH2-CB 4.19Å; W42-A58 HydrophobicContact CZ3-CB 4.19Å; W42-E60 HydrophobicContact CD2-CB 4.37Å; W42-E60 HydrophobicContact CE3-CB 3.54Å; W42-E60 HydrophobicContact CE3-CG 4.49Å; W42-E60 HydrophobicContact CZ3-CB 3.65Å; W42-R87 HydrophobicContact CD2-CG 4.05Å; W42-R87 VanDerWaalsContact CE2-CD 3.45Å; W42-R87 HydrophobicContact CE3-CG 4.3Å; W42-R87 VanDerWaalsContact CG-NE 3.26Å; W42-R87 VanDerWaalsContact CG-NH1 3.31Å; W42-R87 HydrophobicContact CH2-CG 4.04Å; W42-R87 HydrophobicContact CZ2-CB 4.25Å; W42-R87 HydrophobicContact CZ2-CG 3.79Å; W42-R87 HydrophobicContact CZ3-CG 4.31Å
43N94.1Very high91.8Very high95 Ų9566.3 Ų66.351%0.50837%0.372SS..Hα-helixtrans-69.5-38.3-177.9-61.5-23.7000109.4D41 K47D41-N43 PolarHBondContact O-N 3.23Å; D41-N43 WeakPolarHBondContact OD1-CA 3.23Å; D41-N43 WeakPolarHBondContact OD1-CB 3.02Å; D41-N43 PolarHBondContact OD1-N 3.37Å; N43-K47 VanDerWaalsContact O-CB 3.27Å; N43-K47 WeakPolarHBondContact O-CB 2.97Å; N43-K47 PolarHBondContact O-N 2.68Å
44E94.5Very high91.9Very high124 Ų12461.5 Ų61.558%0.57934%0.339SS*.Hα-helixtrans-63.3-39.9169.8-66.9-175.1169.100112.2I39 D41 W42 K47 G48I39-E44 HydrophobicContact CG2-CB 3.62Å; D41-E44 HydrophobicContact CB-CB 4.12Å; D41-E44 HydrophobicContact CB-CG 4.08Å; D41-E44 PolarHBondContact O-N 3.24Å; D41-E44 PolarHBondContact OD1-N 2.95Å; W42-E44 VanDerWaalsContact C-N 3.3Å; E44-K47 PolarHBondContact O-N 2.96Å; E44-G48 PolarHBondContact O-N 2.92Å
45C95.5Very high92Very high0 Ų060.1 Ų60.10%033%0.33CS..Hα-helixtrans-60.6-48.6177171.70000111.6I39 D41 W42 G48 C49 C66 W68I39-C45 HydrophobicContact CG2-CB 4.07Å; D41-C45 WeakPolarHBondContact O-CB 3.25Å; D41-C45 PolarHBondContact O-N 3.44Å; W42-C45 HydrophobicContact CE3-CB 4.22Å; W42-C45 VanDerWaalsContact O-CB 3.32Å; W42-C45 WeakPolarHBondContact O-CB 3.49Å; W42-C45 PolarHBondContact O-N 3.34Å; C45-G48 PolarHBondContact O-N 3.34Å; C45-C49 PolarHBondContact O-N 2.81Å; C45-C66 HydrophobicContact CB-CB 3.65Å; C45-C66 WeakPolarHBondContact CB-SG 3.45Å; C45-C66 WeakPolarHBondContact SG-CB 3.36Å; C45-C66 CovalentContact SG-SG 2.01Å; C45-C66 PolarHBondContact SG-SG 3.32Å; C45-W68 PolarHBondContact O-NE1 3.22Å
46V96.1Very high92.3Very high1 Ų156.5 Ų56.51%0.00631%0.31CS..Hα-helixtrans-63.4-46.7178.11720000110.5M21 W42 G48 C49 A50 A58M21-V46 HydrophobicContact CB-CG1 3.39Å; M21-V46 HydrophobicContact CE-CG1 4.38Å; M21-V46 HydrophobicContact CG-CG1 3.69Å; W42-V46 HydrophobicContact CD2-CG2 3.71Å; W42-V46 HydrophobicContact CE3-CG2 4.07Å; W42-V46 HydrophobicContact CG-CG2 4.32Å; W42-V46 HydrophobicContact CH2-CG2 3.8Å; W42-V46 HydrophobicContact CZ2-CG2 3.39Å; W42-V46 HydrophobicContact CZ3-CG2 4.1Å; W42-V46 WeakPolarHBondContact O-CG2 3.42Å; W42-V46 PolarHBondContact O-N 3.23Å; V46-G48 VanDerWaalsContact C-N 3.32Å; V46-G48 PolarHBondContact O-N 3.26Å; V46-C49 PolarHBondContact O-N 2.99Å; V46-A50 WeakPolarHBondContact O-CB 3.34Å; V46-A50 PolarHBondContact O-N 3.43Å; V46-A58 HydrophobicContact CG2-CB 4.47Å
47K94.8Very high92.7Very high121 Ų12150.5 Ų50.553%0.52628%0.28SS..Hα-helixtrans-62.5-38.6177.6-174.5174.7-176.6-178.50112.2N43 E44 A50 N51N43-K47 VanDerWaalsContact O-CB 3.27Å; N43-K47 WeakPolarHBondContact O-CB 2.97Å; N43-K47 PolarHBondContact O-N 2.68Å; E44-K47 PolarHBondContact O-N 2.96Å; K47-A50 WeakPolarHBondContact O-CB 3.26Å; K47-A50 PolarHBondContact O-N 3.37Å; K47-N51 PolarHBondContact O-N 2.89Å; K47-N51 VanDerWaalsContact O-N 3.11Å; K47-N51 PolarHBondContact O-ND2 3.02Å
48G94.3Very high93.2Very high19 Ų1949.2 Ų49.220%0.19627%0.272CS..Hα-helixtrans-62-47.9175.300000111.6E44 C45 V46 A50 N51 E52 W68E44-G48 PolarHBondContact O-N 2.92Å; C45-G48 PolarHBondContact O-N 3.34Å; V46-G48 VanDerWaalsContact C-N 3.32Å; V46-G48 PolarHBondContact O-N 3.26Å; G48-A50 VanDerWaalsContact C-N 3.32Å; G48-A50 PolarHBondContact O-N 3.27Å; G48-N51 PolarHBondContact O-N 2.85Å; G48-N51 VanDerWaalsContact O-N 3.15Å; G48-E52 WeakPolarHBondContact O-CB 3.33Å; G48-E52 PolarHBondContact O-N 2.86Å; G48-W68 VanDerWaalsContact CA-CZ2 3.47Å
49C95.3Very high93.6Very high0 Ų042.8 Ų42.80%023%0.232CC..Hα-helixtrans-62.7-37.1174.41800000112.8M21 C45 V46 N51 E52 C55 A58 W68 K91M21-C49 HydrophobicContact CE-CB 3.94Å; M21-C49 VanDerWaalsContact CE-SG 3.54Å; C45-C49 PolarHBondContact O-N 2.81Å; V46-C49 PolarHBondContact O-N 2.99Å; C49-N51 PolarHBondContact O-N 3.01Å; C49-E52 PolarHBondContact O-N 2.79Å; C49-C55 HydrophobicContact CB-CB 3.98Å; C49-C55 WeakPolarHBondContact CB-SG 3.41Å; C49-C55 WeakPolarHBondContact O-CB 3.36Å; C49-C55 WeakPolarHBondContact SG-CB 3.5Å; C49-C55 CovalentContact SG-SG 2.03Å; C49-C55 PolarHBondContact SG-SG 3.02Å; C49-A58 HydrophobicContact CB-CB 3.96Å; C49-W68 HydrophobicContact CB-CD2 4.25Å; C49-W68 HydrophobicContact CB-CG 4.22Å; C49-W68 VanDerWaalsContact N-CZ2 3.34Å; C49-K91 PolarHBondContact O-NZ 2.91Å
50A93.9Very high94Very high15 Ų1541.3 Ų41.312%0.12422%0.224CC..Hα-helixtrans-59.8-36.5175.600000112D19 M21 V46 K47 G48 K91D19-A50 HydrophobicContact CB-CB 3.62Å; M21-A50 HydrophobicContact CG-CB 3.6Å; M21-A50 HydrophobicContact SD-CB 4.08Å; V46-A50 WeakPolarHBondContact O-CB 3.34Å; V46-A50 PolarHBondContact O-N 3.43Å; K47-A50 WeakPolarHBondContact O-CB 3.26Å; K47-A50 PolarHBondContact O-N 3.37Å; G48-A50 VanDerWaalsContact C-N 3.32Å; G48-A50 PolarHBondContact O-N 3.27Å; A50-K91 WeakPolarHBondContact O-CE 3.37Å; A50-K91 PolarHBondContact O-NZ 2.82Å
51N92.3Very high94.2Very high112 Ų11236.3 Ų36.360%0.59919%0.193SC*.Hα-helixtrans-89-21.1-179.6-68.5-60.6000113.8K47 G48 C49 P53K47-N51 PolarHBondContact O-N 2.89Å; K47-N51 VanDerWaalsContact O-N 3.11Å; K47-N51 PolarHBondContact O-ND2 3.02Å; G48-N51 PolarHBondContact O-N 2.85Å; G48-N51 VanDerWaalsContact O-N 3.15Å; C49-N51 PolarHBondContact O-N 3.01Å; N51-P53 WeakPolarHBondContact O-CD 3.26Å
52E92.6Very high94.1Very high75 Ų7538.9 Ų38.935%0.3520%0.201SC..SBendtrans-73.1119.2176.1179.752.9-140.300110.4G48 C49 G54 C55 W68 K91G48-E52 WeakPolarHBondContact O-CB 3.33Å; G48-E52 PolarHBondContact O-N 2.86Å; C49-E52 PolarHBondContact O-N 2.79Å; E52-G54 VanDerWaalsContact C-N 3.32Å; E52-G54 PolarHBondContact O-N 2.88Å; E52-C55 HydrophobicContact CB-CB 3.82Å; E52-C55 HydrophobicContact CG-CB 3.88Å; E52-C55 PolarHBondContact O-N 3.39Å; E52-W68 HydrophobicContact CB-CE3 4.35Å; E52-W68 HydrophobicContact CB-CZ3 4.15Å; E52-W68 HydrophobicContact CG-CE3 4.31Å; E52-W68 HydrophobicContact CG-CZ3 4.34Å; E52-K91 PolarHBondContact O-NZ 3.07Å
53P89.8Confident93.9Very high76 Ų7644.7 Ų44.749%0.49423%0.228SC..THydrogen-bonded Turntrans-56.6-41.1-173.2-2936.3000114.1N51 L119 L121N51-P53 WeakPolarHBondContact O-CD 3.26Å; P53-L119 WeakPolarHBondContact O-CD2 3.17Å; P53-L121 HydrophobicContact CB-CD2 3.77Å; P53-L121 WeakPolarHBondContact O-CD2 3.1Å
54G91.7Very high93.7Very high5 Ų544.8 Ų44.85%0.05222%0.224CC..THydrogen-bonded Turntrans-85.7-11.7-176.800000115.3E52 Q70E52-G54 VanDerWaalsContact C-N 3.32Å; E52-G54 PolarHBondContact O-N 2.88Å; G54-Q70 WeakPolarHBondContact O-CA 3.43Å
55C94.2Very high93.7Very high2 Ų243.4 Ų43.41%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-77.6130.1-173.9-169.30000111.3C49 E52 K91C49-C55 HydrophobicContact CB-CB 3.98Å; C49-C55 WeakPolarHBondContact CB-SG 3.41Å; C49-C55 WeakPolarHBondContact O-CB 3.36Å; C49-C55 WeakPolarHBondContact SG-CB 3.5Å; C49-C55 CovalentContact SG-SG 2.03Å; C49-C55 PolarHBondContact SG-SG 3.02Å; E52-C55 HydrophobicContact CB-CB 3.82Å; E52-C55 HydrophobicContact CG-CB 3.88Å; E52-C55 PolarHBondContact O-N 3.39Å; C55-K91 WeakPolarHBondContact O-CD 3.44Å
56V95.2Very high93.6Very high2 Ų243.6 Ų43.61%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-115-20.7177-60.60000113Y69 I74 K91 L119 Y133V56-Y69 WeakPolarHBondContact CG2-O 3.25Å; V56-Y69 PolarHBondContact N-O 3.38Å; V56-I74 HydrophobicContact CG2-CB 4.43Å; V56-I74 HydrophobicContact CG2-CD1 4.47Å; V56-I74 HydrophobicContact CG2-CG2 3.66Å; V56-K91 WeakPolarHBondContact O-CB 3.35Å; V56-K91 PolarHBondContact O-N 2.8Å; V56-L119 HydrophobicContact CG1-CD1 3.74Å; V56-L119 HydrophobicContact CG1-CD2 4.38Å; V56-L119 HydrophobicContact CG1-CG 4.43Å; V56-Y133 HydrophobicContact CB-CE2 4.28Å; V56-Y133 HydrophobicContact CG1-CD1 4.28Å; V56-Y133 HydrophobicContact CG1-CE1 3.75Å; V56-Y133 HydrophobicContact CG1-CE2 4.29Å
57L96.7Very high93.6Very high0 Ų044.6 Ų44.60%022%0.223CC..EExtended strand (participates in β ladder)trans-146.2131.3-179.9-171.394.2000111.1I28 W68 Y69 I74 V77 V88 S89 F90I28-L57 HydrophobicContact CD1-CD2 3.37Å; L57-W68 WeakPolarHBondContact O-CA 3.32Å; L57-Y69 HydrophobicContact CD2-CD2 4.01Å; L57-Y69 PolarHBondContact N-O 3.34Å; L57-Y69 PolarHBondContact O-N 2.85Å; L57-I74 HydrophobicContact CB-CD1 3.51Å; L57-I74 HydrophobicContact CD1-CD1 4.11Å; L57-I74 HydrophobicContact CD2-CD1 3.55Å; L57-I74 HydrophobicContact CG-CD1 3.91Å; L57-V77 HydrophobicContact CD1-CG2 4.33Å; L57-V77 HydrophobicContact CD2-CG2 3.94Å; L57-V88 HydrophobicContact CD1-CB 4.06Å; L57-V88 HydrophobicContact CD2-CB 4.41Å; L57-V88 HydrophobicContact CD2-CG1 4.22Å; L57-V88 HydrophobicContact CG-CB 4.4Å; L57-S89 VanDerWaalsContact CA-O 3.31Å; L57-S89 WeakPolarHBondContact CA-O 3.35Å; L57-F90 HydrophobicContact CD1-CB 4.35Å; L57-F90 HydrophobicContact CD1-CD1 3.32Å; L57-F90 HydrophobicContact CD1-CD2 3.91Å; L57-F90 HydrophobicContact CD1-CE1 3.43Å; L57-F90 VanDerWaalsContact CD1-CE1 3.43Å; L57-F90 HydrophobicContact CD1-CE2 4.01Å; L57-F90 HydrophobicContact CD1-CG 3.58Å; L57-F90 HydrophobicContact CD1-CZ 3.78Å
58A96.8Very high93.7Very high0 Ų040.5 Ų40.50%020%0.204CC..EExtended strand (participates in β ladder)trans-98.9141.6162.700000110.1M21 W42 V46 C49 H67 V88 S89M21-A58 HydrophobicContact CE-CB 4.31Å; W42-A58 HydrophobicContact CH2-CB 4.19Å; W42-A58 HydrophobicContact CZ3-CB 4.19Å; V46-A58 HydrophobicContact CG2-CB 4.47Å; C49-A58 HydrophobicContact CB-CB 3.96Å; A58-H67 CarbonylContact C-O 3.58Å; A58-H67 WeakPolarHBondContact CA-O 3.33Å; A58-V88 CarbonylContact O-C 3.55Å; A58-V88 WeakPolarHBondContact O-CA 3.49Å; A58-S89 PolarHBondContact N-O 3.15Å; A58-S89 PolarHBondContact O-N 3.05Å
59H96.5Very high93.7Very high9 Ų940.2 Ų40.24%0.04220%0.198CC..EExtended strand (participates in β ladder)trans-133128.6177.2170.9-137.8000109.7I28 H67 Y69 E86 R87 V88I28-H59 HydrophobicContact CD1-CB 4.3Å; I28-H59 HydrophobicContact CG1-CB 4.32Å; I28-H59 WeakPolarHBondContact CG1-ND1 3.4Å; H59-H67 HydrophobicContact CB-CB 4.37Å; H59-H67 PolarHBondContact N-O 3.37Å; H59-H67 PolarHBondContact O-N 3.14Å; H59-Y69 HydrophobicContact CB-CD2 4.45Å; H59-Y69 HydrophobicContact CB-CE2 3.93Å; H59-E86 IonicContact CE1-OE2 2.89Å; H59-E86 IonicContact NE2-OE2 2.84Å; H59-E86 PolarHBondContact NE2-OE2 3.04Å; H59-R87 PolarHBondContact CD2-O 2.8Å; H59-V88 HydrophobicContact CB-CG1 4.12Å
60E95.6Very high93.6Very high9 Ų943 Ų434%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-100.8113.2165.3-176.7-172.8-9900108.3W42 K64 E65 R87W42-E60 HydrophobicContact CD2-CB 4.37Å; W42-E60 HydrophobicContact CE3-CB 3.54Å; W42-E60 HydrophobicContact CE3-CG 4.49Å; W42-E60 HydrophobicContact CZ3-CB 3.65Å; E60-K64 VanDerWaalsContact CD-CD 3.49Å; E60-K64 HydrophobicContact CG-CD 3.89Å; E60-K64 WeakPolarHBondContact OE2-CD 3.24Å; E60-K64 IonicContact OE2-NZ 2.81Å; E60-K64 PolarHBondContact OE2-NZ 2.94Å; E60-E65 WeakPolarHBondContact CA-O 3.44Å; E60-R87 HydrophobicContact CB-CG 3.82Å; E60-R87 VanDerWaalsContact CD-NE 3.26Å; E60-R87 VanDerWaalsContact CD-NH2 3.34Å; E60-R87 PolarHBondContact N-O 3.21Å; E60-R87 PolarHBondContact O-N 3.04Å; E60-R87 IonicContact OE1-CZ 3.22Å; E60-R87 IonicContact OE1-NE 2.94Å; E60-R87 PolarHBondContact OE1-NE 2.84Å; E60-R87 IonicContact OE1-NH2 3.29Å; E60-R87 PolarHBondContact OE1-NH2 2.83Å; E60-R87 IonicContact OE2-CZ 3.54Å; E60-R87 IonicContact OE2-NE 3.54Å; E60-R87 PolarHBondContact OE2-NE 3.38Å; E60-R87 IonicContact OE2-NH2 3.57Å; E60-R87 PolarHBondContact OE2-NH2 3.41Å
61N92Very high93.3Very high13 Ų1344.8 Ų44.87%0.0722%0.215CC..  trans-75.7-177176.771.72.6000111.7E63 K64 E65 H67N61-E63 PolarHBondContact ND2-OE2 3.27Å; N61-E63 PolarHBondContact O-N 3.19Å; N61-E63 WeakPolarHBondContact OD1-CA 3.34Å; N61-E63 PolarHBondContact OD1-N 2.89Å; N61-E63 VanDerWaalsContact OD1-N 3.15Å; N61-K64 PolarHBondContact O-N 2.02Å; N61-K64 VanDerWaalsContact O-N 3.14Å; N61-K64 PolarHBondContact OD1-N 2.67Å; N61-E65 PolarHBondContact N-O 2.91Å; N61-E65 PolarHBondContact ND2-OE2 2.95Å; N61-E65 WeakPolarHBondContact OD1-CB 3.34Å; N61-E65 PolarHBondContact OD1-N 2.91Å; N61-E65 PolarHBondContact OD1-O 2.82Å; N61-H67 PolarHBondContact ND2-CE1 2.98Å
62K90.4Very high93Very high128 Ų12844.2 Ų44.256%0.55721%0.211SC*.THydrogen-bonded Turntrans-66.9-30.3-178.5-67.7-171.9178.1-176.90112.5K64 E86K62-K64 PolarHBondContact O-N 2.85Å; K62-E86 WeakPolarHBondContact CE-OE1 3.44Å; K62-E86 HydrophobicContact CG-CG 3.49Å; K62-E86 VanDerWaalsContact CG-CG 3.49Å
63E89.9Confident92.7Very high132 Ų13242.5 Ų42.562%0.61721%0.205SC*.THydrogen-bonded Turntrans-75.9-3.3177.5-62.671-157.100112.8N61 E65N61-E63 PolarHBondContact ND2-OE2 3.27Å; N61-E63 PolarHBondContact O-N 3.19Å; N61-E63 WeakPolarHBondContact OD1-CA 3.34Å; N61-E63 PolarHBondContact OD1-N 2.89Å; N61-E63 VanDerWaalsContact OD1-N 3.15Å; E63-E65 VanDerWaalsContact C-N 3.29Å; E63-E65 HydrophobicContact CB-CG 4.05Å
64K90.7Very high92.4Very high98 Ų9839.5 Ų39.543%0.42618%0.184SC..  trans66.229.2-177-54.3-56.7-174.7-171.60113.8E60 N61 K62 G85E60-K64 VanDerWaalsContact CD-CD 3.49Å; E60-K64 HydrophobicContact CG-CD 3.89Å; E60-K64 WeakPolarHBondContact OE2-CD 3.24Å; E60-K64 IonicContact OE2-NZ 2.81Å; E60-K64 PolarHBondContact OE2-NZ 2.94Å; N61-K64 PolarHBondContact O-N 2.02Å; N61-K64 VanDerWaalsContact O-N 3.14Å; N61-K64 PolarHBondContact OD1-N 2.67Å; K62-K64 PolarHBondContact O-N 2.85Å; K64-G85 PolarHBondContact NZ-O 3.18Å
65E92.7Very high92.2Very high95 Ų9540.1 Ų40.144%0.44419%0.19SC..  trans-88.5142.5171.1-56172.213800110E60 N61 E63 H67E60-E65 WeakPolarHBondContact CA-O 3.44Å; N61-E65 PolarHBondContact N-O 2.91Å; N61-E65 PolarHBondContact ND2-OE2 2.95Å; N61-E65 WeakPolarHBondContact OD1-CB 3.34Å; N61-E65 PolarHBondContact OD1-N 2.91Å; N61-E65 PolarHBondContact OD1-O 2.82Å; E63-E65 VanDerWaalsContact C-N 3.29Å; E63-E65 HydrophobicContact CB-CG 4.05Å; E65-H67 IonicContact OE2-NE2 3.4Å
66C95.2Very high92.3Very high4 Ų444 Ų443%0.02721%0.205CC..EExtended strand (participates in β ladder)trans-97.2117.4178.6168.90000111.1T37 I39 C45 W68T37-C66 PolarHBondContact N-O 3.46Å; T37-C66 VanDerWaalsContact N-O 3.08Å; T37-C66 VanDerWaalsContact OG1-CB 3.26Å; T37-C66 WeakPolarHBondContact OG1-CB 2.85Å; T37-C66 PolarHBondContact OG1-O 2.84Å; T37-C66 VanDerWaalsContact OG1-O 3.06Å; T37-C66 PolarHBondContact OG1-SG 2.83Å; I39-C66 HydrophobicContact CB-CB 4.49Å; I39-C66 WeakPolarHBondContact O-CB 3.36Å; C45-C66 HydrophobicContact CB-CB 3.65Å; C45-C66 WeakPolarHBondContact CB-SG 3.45Å; C45-C66 WeakPolarHBondContact SG-CB 3.36Å; C45-C66 CovalentContact SG-SG 2.01Å; C45-C66 PolarHBondContact SG-SG 3.32Å; C66-W68 PolarHBondContact SG-NE1 3.47Å
67H95.3Very high92.3Very high22 Ų2244 Ų4410%0.10221%0.205CC..EExtended strand (participates in β ladder)trans-113133.3178-62.9165.1000110.8P34 A58 H59 N61 E65 Y69P34-H67 HydrophobicContact CB-CB 3.81Å; P34-H67 HydrophobicContact CG-CB 4.01Å; A58-H67 CarbonylContact C-O 3.58Å; A58-H67 WeakPolarHBondContact CA-O 3.33Å; H59-H67 HydrophobicContact CB-CB 4.37Å; H59-H67 PolarHBondContact N-O 3.37Å; H59-H67 PolarHBondContact O-N 3.14Å; N61-H67 PolarHBondContact ND2-CE1 2.98Å; E65-H67 IonicContact OE2-NE2 3.4Å; H67-Y69 HydrophobicContact CB-CE2 3.92Å
68W95.9Very high92.3Very high34 Ų3448.9 Ų48.913%0.12923%0.226CC..EExtended strand (participates in β ladder)trans-109.2132.4175-68.4-8.6000110.8P34 N35 T37 I39 C45 G48 C49 E52 L57 C66P34-W68 WeakPolarHBondContact CA-O 3.44Å; P34-W68 WeakPolarHBondContact CB-O 3.38Å; N35-W68 HydrophobicContact CB-CB 4.28Å; N35-W68 PolarHBondContact N-O 2.78Å; N35-W68 PolarHBondContact O-N 3.35Å; T37-W68 HydrophobicContact CG2-CD2 3.57Å; T37-W68 HydrophobicContact CG2-CE3 3.87Å; T37-W68 HydrophobicContact CG2-CG 3.97Å; T37-W68 HydrophobicContact CG2-CH2 4.2Å; T37-W68 HydrophobicContact CG2-CZ2 3.91Å; T37-W68 HydrophobicContact CG2-CZ3 4.19Å; I39-W68 HydrophobicContact CD1-CH2 4.13Å; I39-W68 HydrophobicContact CD1-CZ2 3.74Å; C45-W68 PolarHBondContact O-NE1 3.22Å; G48-W68 VanDerWaalsContact CA-CZ2 3.47Å; C49-W68 HydrophobicContact CB-CD2 4.25Å; C49-W68 HydrophobicContact CB-CG 4.22Å; C49-W68 VanDerWaalsContact N-CZ2 3.34Å; E52-W68 HydrophobicContact CB-CE3 4.35Å; E52-W68 HydrophobicContact CB-CZ3 4.15Å; E52-W68 HydrophobicContact CG-CE3 4.31Å; E52-W68 HydrophobicContact CG-CZ3 4.34Å; L57-W68 WeakPolarHBondContact O-CA 3.32Å; C66-W68 PolarHBondContact SG-NE1 3.47Å
69Y95.9Very high92.2Very high13 Ų1351 Ų515%0.05124%0.235CC..EExtended strand (participates in β ladder)trans-111.3133176-64-96000109.8I28 A31 P34 V56 L57 H59 H67 I73I28-Y69 HydrophobicContact CD1-CD2 3.95Å; I28-Y69 HydrophobicContact CD1-CE1 4.38Å; I28-Y69 HydrophobicContact CD1-CE2 3.54Å; I28-Y69 HydrophobicContact CG1-CE1 4.44Å; I28-Y69 HydrophobicContact CG1-CE2 3.69Å; I28-Y69 HydrophobicContact CG2-CE1 4.35Å; A31-Y69 HydrophobicContact CB-CD1 3.7Å; A31-Y69 HydrophobicContact CB-CE1 3.49Å; A31-Y69 VanDerWaalsContact CB-CE1 3.49Å; P34-Y69 HydrophobicContact CB-CD1 4.1Å; P34-Y69 HydrophobicContact CB-CD2 4.26Å; P34-Y69 HydrophobicContact CB-CE1 3.69Å; P34-Y69 HydrophobicContact CB-CE2 3.86Å; P34-Y69 HydrophobicContact CB-CG 4.37Å; P34-Y69 HydrophobicContact CG-CE1 4.11Å; P34-Y69 HydrophobicContact CG-CE2 4.46Å; V56-Y69 WeakPolarHBondContact CG2-O 3.25Å; V56-Y69 PolarHBondContact N-O 3.38Å; L57-Y69 HydrophobicContact CD2-CD2 4.01Å; L57-Y69 PolarHBondContact N-O 3.34Å; L57-Y69 PolarHBondContact O-N 2.85Å; H59-Y69 HydrophobicContact CB-CD2 4.45Å; H59-Y69 HydrophobicContact CB-CE2 3.93Å; H67-Y69 HydrophobicContact CB-CE2 3.92Å; Y69-I73 HydrophobicContact CD1-CD1 4.02Å; Y69-I73 HydrophobicContact CD1-CG1 4.38Å
70Q93.3Very high92.2Very high59 Ų5951.7 Ų51.728%0.27624%0.239SC..EExtended strand (participates in β ladder)trans-87.9166.3172.9-65.3-177.1-26.800110.7G54 D72 I73 I74G54-Q70 WeakPolarHBondContact O-CA 3.43Å; Q70-D72 VanDerWaalsContact C-N 3.26Å; Q70-D72 WeakPolarHBondContact CB-OD1 3.38Å; Q70-D72 PolarHBondContact O-N 2.92Å; Q70-I73 HydrophobicContact CB-CG1 4.3Å; Q70-I73 WeakPolarHBondContact O-CG1 3.28Å; Q70-I73 PolarHBondContact O-N 2.89Å; Q70-I74 PolarHBondContact O-N 3.5Å
71Y87.2Confident92Very high52 Ų5254.9 Ų54.920%0.20426%0.26CS..THydrogen-bonded Turntrans-57.9-35.4-174.369.2-84.8000113.8L119 L121 I131 V146Y71-L119 HydrophobicContact CD1-CD1 4.07Å; Y71-L119 HydrophobicContact CG-CD1 4.34Å; Y71-L121 HydrophobicContact CD1-CD1 3.91Å; Y71-L121 HydrophobicContact CE1-CD1 3.4Å; Y71-L121 VanDerWaalsContact CE1-CD1 3.4Å; Y71-I131 HydrophobicContact CD1-CD1 3.61Å; Y71-I131 HydrophobicContact CD2-CD1 3.84Å; Y71-I131 HydrophobicContact CD2-CG1 4.41Å; Y71-I131 HydrophobicContact CD2-CG2 3.8Å; Y71-I131 HydrophobicContact CE1-CD1 3.39Å; Y71-I131 HydrophobicContact CE2-CD1 3.59Å; Y71-I131 HydrophobicContact CE2-CG1 4.24Å; Y71-I131 HydrophobicContact CE2-CG2 4.42Å; Y71-I131 HydrophobicContact CG-CD1 3.84Å; Y71-I131 HydrophobicContact CG-CG2 3.92Å; Y71-V146 HydrophobicContact CD2-CG1 3.98Å; Y71-V146 WeakPolarHBondContact O-CG2 3.4Å
72D84.6Confident91.8Very high100 Ų10060.7 Ų60.754%0.53528%0.284SS..THydrogen-bonded Turntrans-82-15.3-172.961.8-27.5000113.9Q70Q70-D72 VanDerWaalsContact C-N 3.26Å; Q70-D72 WeakPolarHBondContact CB-OD1 3.38Å; Q70-D72 PolarHBondContact O-N 2.92Å
73I86.9Confident91.7Very high40 Ų4061.9 Ų61.921%0.20529%0.292CS..THydrogen-bonded Turntrans-112.3-9.5-175.959.8166.3000114A31 G32 S33 Y69 Q70A31-I73 CarbonylContact C-O 3.54Å; A31-I73 WeakPolarHBondContact CA-O 3.08Å; A31-I73 VanDerWaalsContact CB-O 3.28Å; A31-I73 WeakPolarHBondContact CB-O 3.38Å; G32-I73 PolarHBondContact N-O 2.81Å; S33-I73 WeakPolarHBondContact O-CD1 3.04Å; Y69-I73 HydrophobicContact CD1-CD1 4.02Å; Y69-I73 HydrophobicContact CD1-CG1 4.38Å; Q70-I73 HydrophobicContact CB-CG1 4.3Å; Q70-I73 WeakPolarHBondContact O-CG1 3.28Å; Q70-I73 PolarHBondContact O-N 2.89Å
74I83.1Confident91.6Very high13 Ų1358.9 Ų58.97%0.06728%0.28CS..EExtended strand (participates in β ladder)trans-86.9131.3179.8-172.8160.1000111.4V56 L57 Q70 V77 V144V56-I74 HydrophobicContact CG2-CB 4.43Å; V56-I74 HydrophobicContact CG2-CD1 4.47Å; V56-I74 HydrophobicContact CG2-CG2 3.66Å; L57-I74 HydrophobicContact CB-CD1 3.51Å; L57-I74 HydrophobicContact CD1-CD1 4.11Å; L57-I74 HydrophobicContact CD2-CD1 3.55Å; L57-I74 HydrophobicContact CG-CD1 3.91Å; Q70-I74 PolarHBondContact O-N 3.5Å; I74-V77 HydrophobicContact CD1-CG2 4.31Å; I74-V144 HydrophobicContact CD1-CG2 3.74Å; I74-V144 HydrophobicContact CG1-CB 4.2Å; I74-V144 HydrophobicContact CG1-CG2 3.87Å; I74-V144 HydrophobicContact CG2-CB 3.77Å; I74-V144 HydrophobicContact CG2-CG1 3.73Å; I74-V144 HydrophobicContact CG2-CG2 4.16Å
75G87.8Confident91.3Very high17 Ų1755.7 Ų55.718%0.17528%0.275CS..EExtended strand (participates in β ladder)trans-113.2-78.4173.400000111.4Q30 G143 V144Q30-G75 CarbonylContact O-C 3.51Å; Q30-G75 VanDerWaalsContact O-CA 3.27Å; Q30-G75 WeakPolarHBondContact O-CA 3.45Å; Q30-G75 PolarHBondContact O-N 2.95Å; G75-G143 WeakPolarHBondContact O-CA 3.41Å; G75-V144 PolarHBondContact O-N 2.76Å
76Y96.2Very high91.4Very high85 Ų8552.1 Ų52.133%0.33326%0.258SS..EExtended strand (participates in β ladder)trans-131139.5-172.4-64.2-86.7000112.3H29 Q30 L141 W142 F145H29-Y76 WeakPolarHBondContact CA-O 3.35Å; H29-Y76 WeakPolarHBondContact CB-O 3.14Å; H29-Y76 PolarHBondContact N-O 2.81Å; Q30-Y76 HydrophobicContact CB-CD2 4.22Å; Q30-Y76 PolarHBondContact N-O 3.17Å; Q30-Y76 PolarHBondContact O-N 2.78Å; Y76-L141 HydrophobicContact CD1-CB 4.32Å; Y76-L141 HydrophobicContact CD1-CD1 4.33Å; Y76-W142 CarbonylContact C-O 3.53Å; Y76-W142 WeakPolarHBondContact CA-O 3.06Å; Y76-F145 HydrophobicContact CE1-CZ 4.42Å
77V96.7Very high91.4Very high0 Ų055.7 Ų55.70%027%0.271CS..EExtended strand (participates in β ladder)trans-115.6127172.8-179.60000108.8T27 I28 L57 I74 V88 F90 L141 W142T27-V77 CarbonylContact O-C 3.6Å; T27-V77 WeakPolarHBondContact O-CA 3.25Å; T27-V77 WeakPolarHBondContact O-CG1 3.32Å; I28-V77 HydrophobicContact CD1-CG2 4.29Å; L57-V77 HydrophobicContact CD1-CG2 4.33Å; L57-V77 HydrophobicContact CD2-CG2 3.94Å; I74-V77 HydrophobicContact CD1-CG2 4.31Å; V77-V88 HydrophobicContact CG1-CB 4.47Å; V77-V88 HydrophobicContact CG1-CG1 3.98Å; V77-V88 HydrophobicContact CG1-CG2 3.9Å; V77-F90 HydrophobicContact CB-CE1 4.47Å; V77-F90 HydrophobicContact CB-CZ 3.87Å; V77-F90 HydrophobicContact CG1-CZ 4.04Å; V77-F90 HydrophobicContact CG2-CE1 4Å; V77-F90 HydrophobicContact CG2-CZ 3.81Å; V77-L141 CarbonylContact O-C 3.52Å; V77-L141 WeakPolarHBondContact O-CA 3.39Å; V77-W142 HydrophobicContact CB-CB 4.4Å; V77-W142 HydrophobicContact CB-CE3 4.32Å; V77-W142 HydrophobicContact CG1-CE3 4.03Å; V77-W142 HydrophobicContact CG1-CZ3 4.5Å; V77-W142 PolarHBondContact N-O 3.15Å; V77-W142 PolarHBondContact O-N 2.88Å
78K96.5Very high91.5Very high103 Ų10354.6 Ų54.645%0.44827%0.266SS..EExtended strand (participates in β ladder)trans-83.5130.4175.7-178.7176.4179.4-176.40110.5G26 T27 H29 L80 L141G26-K78 CarbonylContact C-O 3.19Å; G26-K78 WeakPolarHBondContact CA-O 3.49Å; T27-K78 HydrophobicContact CG2-CB 4.22Å; T27-K78 PolarHBondContact N-O 2.86Å; T27-K78 PolarHBondContact O-N 3.4Å; H29-K78 HydrophobicContact CB-CB 4.16Å; K78-L80 HydrophobicContact CG-CD2 4.47Å; K78-L141 HydrophobicContact CB-CD2 3.78Å; K78-L141 HydrophobicContact CG-CD2 4.09Å
79K95Very high91.5Very high44 Ų4453 Ų5319%0.19126%0.26CS..EExtended strand (participates in β ladder)trans-67132.9171.5-177.9166.9-170.1166.60111.1N106 Y137 G140 W142K79-N106 PolarHBondContact NZ-OD1 3.4Å; K79-Y137 HydrophobicContact CB-CE2 4.19Å; K79-Y137 HydrophobicContact CD-CE2 3.99Å; K79-Y137 WeakPolarHBondContact CD-OH 3.01Å; K79-G140 WeakPolarHBondContact CB-O 3.41Å; K79-G140 PolarHBondContact N-O 3.26Å; K79-W142 HydrophobicContact CB-CE3 4.19Å; K79-W142 HydrophobicContact CB-CH2 3.47Å; K79-W142 VanDerWaalsContact CB-CH2 3.47Å; K79-W142 HydrophobicContact CB-CZ2 4.14Å; K79-W142 HydrophobicContact CB-CZ3 3.5Å; K79-W142 VanDerWaalsContact CB-CZ3 3.5Å; K79-W142 HydrophobicContact CD-CH2 3.63Å; K79-W142 HydrophobicContact CD-CZ2 3.74Å; K79-W142 HydrophobicContact CG-CH2 3.38Å; K79-W142 HydrophobicContact CG-CZ2 4.03Å; K79-W142 HydrophobicContact CG-CZ3 3.92Å
80L94.9Very high91.5Very high25 Ų2552.5 Ų52.513%0.13126%0.258CS..  trans-122.7173.4177.5-66.4-176.7000110.9F25 T27 K78 D84 E86F25-L80 HydrophobicContact CB-CB 4.26Å; F25-L80 WeakPolarHBondContact CB-O 3.28Å; F25-L80 PolarHBondContact O-N 2.77Å; T27-L80 HydrophobicContact CG2-CD1 3.71Å; T27-L80 HydrophobicContact CG2-CD2 4.36Å; T27-L80 HydrophobicContact CG2-CG 4.18Å; K78-L80 HydrophobicContact CG-CD2 4.47Å; L80-D84 HydrophobicContact CB-CB 3.98Å; L80-D84 WeakPolarHBondContact CB-OD2 3.32Å; L80-D84 HydrophobicContact CD1-CB 3.8Å; L80-D84 HydrophobicContact CD2-CB 4.39Å; L80-D84 HydrophobicContact CG-CB 4.27Å; L80-E86 HydrophobicContact CD1-CB 4.06Å
81T91.4Very high91.6Very high76 Ų7651.2 Ų51.247%0.46625%0.252SS..  trans-102.3172.3168.971.10000110.5E83 D84T81-E83 WeakPolarHBondContact CB-OE2 3.31Å; T81-E83 PolarHBondContact O-N 3.19Å; T81-E83 PolarHBondContact OG1-OE2 3.44Å; T81-D84 PolarHBondContact N-OD2 3.47Å; T81-D84 PolarHBondContact O-N 2.73Å; T81-D84 PolarHBondContact OG1-OD2 2.87Å
82K88.5Confident91.9Very high135 Ų13549.5 Ų49.559%0.58725%0.246SC*.G310 helixtrans-60.7-30.9-178.9178.9168.9-179.4178.80112.4F25 D84 G85F25-K82 HydrophobicContact CD1-CB 4.46Å; F25-K82 HydrophobicContact CD2-CB 4.08Å; F25-K82 HydrophobicContact CE1-CB 4.09Å; F25-K82 HydrophobicContact CE1-CG 3.94Å; F25-K82 HydrophobicContact CE2-CB 3.67Å; F25-K82 HydrophobicContact CE2-CD 4.33Å; F25-K82 HydrophobicContact CE2-CG 3.96Å; F25-K82 HydrophobicContact CG-CB 4.47Å; F25-K82 HydrophobicContact CZ-CB 3.69Å; F25-K82 HydrophobicContact CZ-CD 4.02Å; F25-K82 HydrophobicContact CZ-CG 3.5Å; F25-K82 VanDerWaalsContact CZ-CG 3.5Å; K82-D84 PolarHBondContact O-N 2.8Å; K82-G85 PolarHBondContact O-N 3.02Å
83E88.3Confident92.1Very high153 Ų15347.7 Ų47.772%0.71524%0.238SC*.G310 helixtrans-67.6-24-177.4-61.970.6-149.700112.7T81 G85T81-E83 WeakPolarHBondContact CB-OE2 3.31Å; T81-E83 PolarHBondContact O-N 3.19Å; T81-E83 PolarHBondContact OG1-OE2 3.44Å; E83-G85 VanDerWaalsContact C-N 3.28Å; E83-G85 PolarHBondContact O-N 3.34Å
84D87.4Confident92Very high69 Ų6950.8 Ų50.837%0.36925%0.25SS..G310 helixtrans-74.3-19179.6-64.1-57.8000113L80 T81 K82 E86L80-D84 HydrophobicContact CB-CB 3.98Å; L80-D84 WeakPolarHBondContact CB-OD2 3.32Å; L80-D84 HydrophobicContact CD1-CB 3.8Å; L80-D84 HydrophobicContact CD2-CB 4.39Å; L80-D84 HydrophobicContact CG-CB 4.27Å; T81-D84 PolarHBondContact N-OD2 3.47Å; T81-D84 PolarHBondContact O-N 2.73Å; T81-D84 PolarHBondContact OG1-OD2 2.87Å; K82-D84 PolarHBondContact O-N 2.8Å; D84-E86 VanDerWaalsContact C-N 3.28Å; D84-E86 PolarHBondContact O-N 2.87Å
85G84.8Confident91.9Very high31 Ų3154.3 Ų54.332%0.3227%0.269SS..  trans78.3-2.7169.800000116.8K64 K82 E83K64-G85 PolarHBondContact NZ-O 3.18Å; K82-G85 PolarHBondContact O-N 3.02Å; E83-G85 VanDerWaalsContact C-N 3.28Å; E83-G85 PolarHBondContact O-N 3.34Å
86E94.8Very high91.4Very high19 Ų1959.5 Ų59.59%0.08930%0.3CS..  trans-100.7147.5175.2-65.1-177.3-107.400111.6F25 G26 T27 H59 K62 L80 D84F25-E86 WeakPolarHBondContact CD1-O 3.37Å; G26-E86 PolarHBondContact N-O 2.96Å; G26-E86 CarbonylContact O-C 3.57Å; G26-E86 WeakPolarHBondContact O-CB 3.17Å; T27-E86 VanDerWaalsContact CB-OE2 3.28Å; T27-E86 WeakPolarHBondContact CB-OE2 3.48Å; T27-E86 PolarHBondContact OG1-OE1 2.97Å; T27-E86 PolarHBondContact OG1-OE2 2.93Å; H59-E86 IonicContact CE1-OE2 2.89Å; H59-E86 IonicContact NE2-OE2 2.84Å; H59-E86 PolarHBondContact NE2-OE2 3.04Å; K62-E86 WeakPolarHBondContact CE-OE1 3.44Å; K62-E86 HydrophobicContact CG-CG 3.49Å; K62-E86 VanDerWaalsContact CG-CG 3.49Å; L80-E86 HydrophobicContact CD1-CB 4.06Å; D84-E86 VanDerWaalsContact C-N 3.28Å; D84-E86 PolarHBondContact O-N 2.87Å
87R95.8Very high90.6Very high79 Ų7959.7 Ų59.730%0.29832%0.319SS..EExtended strand (participates in β ladder)trans-140.5148.617954.3-175.6165.8177.4-5111V24 W42 H59 E60V24-R87 CarbonylContact O-C 3.54Å; V24-R87 VanDerWaalsContact O-CA 3.32Å; V24-R87 WeakPolarHBondContact O-CA 3.37Å; W42-R87 HydrophobicContact CD2-CG 4.05Å; W42-R87 VanDerWaalsContact CE2-CD 3.45Å; W42-R87 HydrophobicContact CE3-CG 4.3Å; W42-R87 VanDerWaalsContact CG-NE 3.26Å; W42-R87 VanDerWaalsContact CG-NH1 3.31Å; W42-R87 HydrophobicContact CH2-CG 4.04Å; W42-R87 HydrophobicContact CZ2-CB 4.25Å; W42-R87 HydrophobicContact CZ2-CG 3.79Å; W42-R87 HydrophobicContact CZ3-CG 4.31Å; H59-R87 PolarHBondContact CD2-O 2.8Å; E60-R87 HydrophobicContact CB-CG 3.82Å; E60-R87 VanDerWaalsContact CD-NE 3.26Å; E60-R87 VanDerWaalsContact CD-NH2 3.34Å; E60-R87 PolarHBondContact N-O 3.21Å; E60-R87 PolarHBondContact O-N 3.04Å; E60-R87 IonicContact OE1-CZ 3.22Å; E60-R87 IonicContact OE1-NE 2.94Å; E60-R87 PolarHBondContact OE1-NE 2.84Å; E60-R87 IonicContact OE1-NH2 3.29Å; E60-R87 PolarHBondContact OE1-NH2 2.83Å; E60-R87 IonicContact OE2-CZ 3.54Å; E60-R87 IonicContact OE2-NE 3.54Å; E60-R87 PolarHBondContact OE2-NE 3.38Å; E60-R87 IonicContact OE2-NH2 3.57Å; E60-R87 PolarHBondContact OE2-NH2 3.41Å
88V96.4Very high89.8Confident0 Ų061 Ų610%033%0.328CS..EExtended strand (participates in β ladder)trans-123.2159.3172.6-64.80000109.5S23 V24 L57 A58 H59 V77 F90S23-V88 CarbonylContact C-O 3.51Å; S23-V88 VanDerWaalsContact CA-O 3.25Å; S23-V88 WeakPolarHBondContact CA-O 3.43Å; V24-V88 HydrophobicContact CG2-CG2 3.55Å; V24-V88 PolarHBondContact N-O 3.23Å; V24-V88 PolarHBondContact O-N 3.05Å; V24-V88 VanDerWaalsContact O-O 3.14Å; L57-V88 HydrophobicContact CD1-CB 4.06Å; L57-V88 HydrophobicContact CD2-CB 4.41Å; L57-V88 HydrophobicContact CD2-CG1 4.22Å; L57-V88 HydrophobicContact CG-CB 4.4Å; A58-V88 CarbonylContact O-C 3.55Å; A58-V88 WeakPolarHBondContact O-CA 3.49Å; H59-V88 HydrophobicContact CB-CG1 4.12Å; V77-V88 HydrophobicContact CG1-CB 4.47Å; V77-V88 HydrophobicContact CG1-CG1 3.98Å; V77-V88 HydrophobicContact CG1-CG2 3.9Å; V88-F90 HydrophobicContact CG2-CD2 4.21Å; V88-F90 HydrophobicContact CG2-CE2 3.56Å; V88-F90 HydrophobicContact CG2-CZ 4.2Å
89S96.3Very high88.9Confident0 Ų065.8 Ų65.80%035%0.349CS..EExtended strand (participates in β ladder)trans-134.9118.5172.6-151.20000110.1M21 I22 S23 L57 A58M21-S89 WeakPolarHBondContact CB-OG 3.24Å; M21-S89 VanDerWaalsContact CE-O 3.32Å; M21-S89 WeakPolarHBondContact CE-O 3.17Å; I22-S89 WeakPolarHBondContact O-CA 3.17Å; S23-S89 PolarHBondContact N-OG 3.1Å; S23-S89 PolarHBondContact OG-OG 2.93Å; L57-S89 VanDerWaalsContact CA-O 3.31Å; L57-S89 WeakPolarHBondContact CA-O 3.35Å; A58-S89 PolarHBondContact N-O 3.15Å; A58-S89 PolarHBondContact O-N 3.05Å
90F96.2Very high88.3Confident2 Ų268.6 Ų68.61%0.00937%0.37CS..EExtended strand (participates in β ladder)trans-90.8126.6-179.6-65-97.3000109.9M21 I22 V24 L57 V77 V88 I92 P108 V135 W142 V144M21-F90 CarbonylContact C-O 3.6Å; M21-F90 VanDerWaalsContact CA-O 3.28Å; M21-F90 WeakPolarHBondContact CA-O 3.46Å; I22-F90 PolarHBondContact N-O 2.83Å; I22-F90 PolarHBondContact O-N 2.83Å; V24-F90 HydrophobicContact CG2-CD2 4.31Å; V24-F90 HydrophobicContact CG2-CE2 3.86Å; L57-F90 HydrophobicContact CD1-CB 4.35Å; L57-F90 HydrophobicContact CD1-CD1 3.32Å; L57-F90 HydrophobicContact CD1-CD2 3.91Å; L57-F90 HydrophobicContact CD1-CE1 3.43Å; L57-F90 VanDerWaalsContact CD1-CE1 3.43Å; L57-F90 HydrophobicContact CD1-CE2 4.01Å; L57-F90 HydrophobicContact CD1-CG 3.58Å; L57-F90 HydrophobicContact CD1-CZ 3.78Å; V77-F90 HydrophobicContact CB-CE1 4.47Å; V77-F90 HydrophobicContact CB-CZ 3.87Å; V77-F90 HydrophobicContact CG1-CZ 4.04Å; V77-F90 HydrophobicContact CG2-CE1 4Å; V77-F90 HydrophobicContact CG2-CZ 3.81Å; V88-F90 HydrophobicContact CG2-CD2 4.21Å; V88-F90 HydrophobicContact CG2-CE2 3.56Å; V88-F90 HydrophobicContact CG2-CZ 4.2Å; F90-I92 HydrophobicContact CB-CG2 4.38Å; F90-I92 PolarHBondContact O-N 3.48Å; F90-P108 HydrophobicContact CB-CB 4.17Å; F90-P108 HydrophobicContact CB-CG 4.03Å; F90-P108 HydrophobicContact CD1-CG 4.18Å; F90-P108 HydrophobicContact CD2-CB 4.26Å; F90-P108 HydrophobicContact CD2-CG 3.57Å; F90-P108 HydrophobicContact CE2-CG 3.98Å; F90-P108 HydrophobicContact CG-CB 4.32Å; F90-P108 HydrophobicContact CG-CG 3.68Å; F90-P108 HydrophobicContact CZ-CG 4.45Å; F90-V135 HydrophobicContact CD1-CG1 4.11Å; F90-V135 HydrophobicContact CD1-CG2 4Å; F90-V135 HydrophobicContact CE1-CG1 3.97Å; F90-W142 HydrophobicContact CE1-CB 4.16Å; F90-W142 HydrophobicContact CE2-CD2 4.4Å; F90-W142 HydrophobicContact CE2-CE3 4.31Å; F90-W142 HydrophobicContact CZ-CB 3.78Å; F90-W142 HydrophobicContact CZ-CD2 4.22Å; F90-W142 HydrophobicContact CZ-CE3 4.16Å; F90-W142 HydrophobicContact CZ-CG 4.06Å; F90-V144 HydrophobicContact CE1-CG2 4.25Å
91K95Very high87.7Confident33 Ų3369.8 Ų69.814%0.14338%0.38CS..EExtended strand (participates in β ladder)trans-71.2127.4166.4-159.4169.2-165.2167.70108.2M21 C49 A50 E52 C55 V56 Y133M21-K91 HydrophobicContact CE-CB 4.31Å; M21-K91 WeakPolarHBondContact SD-CA 3.33Å; M21-K91 HydrophobicContact SD-CB 3.43Å; M21-K91 WeakPolarHBondContact SD-CB 3.46Å; M21-K91 HydrophobicContact SD-CD 4.12Å; M21-K91 HydrophobicContact SD-CG 3.6Å; M21-K91 VanDerWaalsContact SD-CG 3.6Å; C49-K91 PolarHBondContact O-NZ 2.91Å; A50-K91 WeakPolarHBondContact O-CE 3.37Å; A50-K91 PolarHBondContact O-NZ 2.82Å; E52-K91 PolarHBondContact O-NZ 3.07Å; C55-K91 WeakPolarHBondContact O-CD 3.44Å; V56-K91 WeakPolarHBondContact O-CB 3.35Å; V56-K91 PolarHBondContact O-N 2.8Å; K91-Y133 WeakPolarHBondContact O-CE2 3.32Å; K91-Y133 PolarHBondContact O-OH 3.39Å
92I93.4Very high87.3Confident15 Ų1568.5 Ų68.58%0.07737%0.373CS..  trans-131.2155.7175.862.9165.7000109.7W20 I22 F90 K94 P102 P108 A115 P116W20-I92 WeakPolarHBondContact CB-O 3.43Å; W20-I92 HydrophobicContact CE3-CD1 4.27Å; W20-I92 HydrophobicContact CE3-CG1 4.27Å; W20-I92 WeakPolarHBondContact O-CG1 3.27Å; W20-I92 PolarHBondContact O-N 3.3Å; I22-I92 HydrophobicContact CD1-CD1 3.95Å; I22-I92 HydrophobicContact CD1-CG1 4.47Å; I22-I92 HydrophobicContact CG1-CD1 3.43Å; I22-I92 VanDerWaalsContact CG1-CD1 3.43Å; I22-I92 HydrophobicContact CG1-CG1 3.84Å; F90-I92 HydrophobicContact CB-CG2 4.38Å; F90-I92 PolarHBondContact O-N 3.48Å; I92-K94 PolarHBondContact O-N 2.03Å; I92-P102 HydrophobicContact CD1-CG 4.14Å; I92-P108 HydrophobicContact CG2-CB 4.36Å; I92-A115 HydrophobicContact CG2-CB 3.87Å; I92-P116 WeakPolarHBondContact CA-O 2.96Å
93T89.5Confident87.2Confident62 Ų6266.9 Ų66.938%0.3838%0.378SS..PPolyproline II helixtrans-70131.2178.2-61.50000110.2D95 P116 G117 F118T93-D95 PolarHBondContact O-N 2.91Å; T93-P116 PolarHBondContact N-O 2.77Å; T93-G117 VanDerWaalsContact OG1-CA 3.25Å; T93-G117 WeakPolarHBondContact OG1-CA 3.03Å; T93-F118 PolarHBondContact OG1-N 3.11Å; T93-F118 VanDerWaalsContact OG1-N 3.07Å
94K84.3Confident87.1Confident106 Ų10661.3 Ų61.346%0.46136%0.362SS..PPolyproline II helixtrans-63.8124.2169.5173.5164.9-155.6-178.40111W20 I92 P96 S98W20-K94 VanDerWaalsContact CD2-CA 3.5Å; W20-K94 HydrophobicContact CD2-CB 3.5Å; W20-K94 HydrophobicContact CD2-CD 4.35Å; W20-K94 HydrophobicContact CD2-CG 3.88Å; W20-K94 VanDerWaalsContact CE3-CA 3.41Å; W20-K94 HydrophobicContact CE3-CB 3.99Å; W20-K94 HydrophobicContact CE3-CG 4.43Å; W20-K94 HydrophobicContact CG-CB 3.78Å; W20-K94 HydrophobicContact CG-CG 4.41Å; W20-K94 HydrophobicContact CH2-CB 4.37Å; W20-K94 HydrophobicContact CH2-CG 3.95Å; W20-K94 HydrophobicContact CZ2-CB 4.01Å; W20-K94 HydrophobicContact CZ2-CD 3.8Å; W20-K94 HydrophobicContact CZ2-CG 3.4Å; W20-K94 HydrophobicContact CZ3-CB 4.37Å; W20-K94 HydrophobicContact CZ3-CG 4.44Å; I92-K94 PolarHBondContact O-N 2.03Å; K94-P96 VanDerWaalsContact O-CD 3.24Å; K94-P96 WeakPolarHBondContact O-CD 3.28Å; K94-S98 WeakPolarHBondContact CE-O 3.45Å
95D79.9Confident87.2Confident87 Ų8761.9 Ų61.947%0.46537%0.368SS..PPolyproline II helixtrans-64.5116.5161.7177.6-1.7000108.7T93 A97 S98T93-D95 PolarHBondContact O-N 2.91Å; D95-A97 PolarHBondContact O-N 2.82Å; D95-A97 WeakPolarHBondContact OD1-CB 3.12Å; D95-A97 PolarHBondContact OD1-N 2.86Å; D95-S98 PolarHBondContact O-N 3.22Å
96P78Confident87.3Confident125 Ų12562.4 Ų62.481%0.81236%0.364SS*.THydrogen-bonded Turntrans-58.5-28.7-180-22.133.3000113.5K94 S98K94-P96 VanDerWaalsContact O-CD 3.24Å; K94-P96 WeakPolarHBondContact O-CD 3.28Å; P96-S98 VanDerWaalsContact C-N 3.3Å
97A79.9Confident87.2Confident90 Ų9061.7 Ų61.774%0.74436%0.361SS*.THydrogen-bonded Turntrans-77.4-19.7177.800000112.3D95D95-A97 PolarHBondContact O-N 2.82Å; D95-A97 WeakPolarHBondContact OD1-CB 3.12Å; D95-A97 PolarHBondContact OD1-N 2.86Å
98S79.9Confident87Confident26 Ų2658 Ų5818%0.18235%0.347CS..  trans-91.1131.3-175.3-170.20000112.9K94 D95 P96 T100K94-S98 WeakPolarHBondContact CE-O 3.45Å; D95-S98 PolarHBondContact O-N 3.22Å; P96-S98 VanDerWaalsContact C-N 3.3Å; S98-T100 PolarHBondContact OG-N 2.01Å; S98-T100 PolarHBondContact OG-O 3.27Å
99K78.3Confident86.8Confident205 Ų20558.1 Ų58.189%0.89135%0.348SS*.SBendtrans-96.8-8.3171-65-174.9-179.2-179.60113
100T82.2Confident86.5Confident102 Ų10259 Ų5963%0.62635%0.351SS*.SBendtrans-128.6151.6-173.152.10000110.2S98S98-T100 PolarHBondContact OG-N 2.01Å; S98-T100 PolarHBondContact OG-O 3.27Å
101C81.2Confident86.3Confident51 Ų5163.8 Ų63.835%0.34538%0.377SS..  trans-65.5144.9175.5-63.20000111.1C17C17-C101 HydrophobicContact CB-CB 3.27Å; C17-C101 WeakPolarHBondContact CB-SG 3.46Å; C17-C101 WeakPolarHBondContact SG-CB 3.38Å; C17-C101 CovalentContact SG-SG 2.02Å; C17-C101 PolarHBondContact SG-SG 2.87Å
102P83.9Confident85.9Confident48 Ų4864.7 Ų64.731%0.31240%0.396SS..  trans-60152.617523.7-32.4000111.3W20 I22 I92 F110W20-P102 HydrophobicContact CZ3-CG 4.47Å; I22-P102 HydrophobicContact CD1-CG 4.46Å; I92-P102 HydrophobicContact CD1-CG 4.14Å; P102-F110 HydrophobicContact CB-CD2 3.57Å; P102-F110 HydrophobicContact CB-CE2 3.69Å; P102-F110 HydrophobicContact CB-CG 4.06Å; P102-F110 HydrophobicContact CB-CZ 4.2Å; P102-F110 HydrophobicContact CG-CD2 3.73Å; P102-F110 HydrophobicContact CG-CE2 3.36Å; P102-F110 HydrophobicContact CG-CZ 3.93Å; P102-F110 VanDerWaalsContact O-CE1 3.25Å; P102-F110 WeakPolarHBondContact O-CE1 3.5Å; P102-F110 WeakPolarHBondContact O-CZ 2.99Å
103S85.1Confident85.9Confident101 Ų10171 Ų7171%0.70643%0.425SS*.  trans-141.9152.5-178.967.40000110.9F110S103-F110 VanDerWaalsContact C-CD1 3.41Å
104G87.3Confident86.1Confident37 Ų3772.3 Ų72.338%0.38143%0.43SS..SBendtrans149.4-174.9-171.300000112.7N111G104-N111 VanDerWaalsContact CA-OD1 3.24Å; G104-N111 WeakPolarHBondContact CA-OD1 3.48Å
105T88.2Confident86.6Confident81 Ų8167.4 Ų67.450%0.49741%0.41SS..SBendtrans-78.8151.8176.856.90000111.4T109 F110 N111T105-T109 VanDerWaalsContact O-O 3.13Å; T105-F110 CarbonylContact O-C 3.46Å; T105-F110 WeakPolarHBondContact O-CA 3.17Å; T105-N111 PolarHBondContact N-OD1 3.05Å; T105-N111 PolarHBondContact O-N 3.06Å; T105-N111 PolarHBondContact OG1-OD1 2.76Å
106N87.9Confident87.2Confident42 Ų4266.9 Ų66.923%0.22541%0.411CS..SBendtrans55.849.3176.2-56.4-38.8000116.3K79 T109 Y137K79-N106 PolarHBondContact NZ-OD1 3.4Å; N106-T109 CarbonylContact C-O 3.34Å; N106-T109 CarbonylContact O-C 3.56Å; N106-T109 WeakPolarHBondContact O-CA 3.37Å; N106-T109 PolarHBondContact O-N 2.96Å; N106-T109 PolarHBondContact O-OG1 3.35Å; N106-Y137 HydrophobicContact CB-CD1 4.14Å; N106-Y137 HydrophobicContact CB-CE1 4.31Å
107P91.9Very high88Confident4 Ų461.2 Ų61.23%0.02638%0.375CS..THydrogen-bonded Turntrans-49.6146.2169.127.1-39000111.5A15 I22 V24 T109 F110 W142A15-P107 HydrophobicContact CB-CB 3.71Å; A15-P107 HydrophobicContact CB-CG 3.81Å; I22-P107 HydrophobicContact CG2-CB 3.89Å; V24-P107 HydrophobicContact CG1-CB 3.54Å; V24-P107 HydrophobicContact CG1-CG 3.47Å; V24-P107 VanDerWaalsContact CG1-CG 3.47Å; P107-T109 VanDerWaalsContact C-N 3.29Å; P107-F110 HydrophobicContact CB-CD1 4.25Å; P107-F110 HydrophobicContact CB-CE1 3.64Å; P107-F110 HydrophobicContact CB-CZ 3.81Å; P107-W142 VanDerWaalsContact O-CE2 3.23Å; P107-W142 WeakPolarHBondContact O-CZ2 3.46Å; P107-W142 PolarHBondContact O-NE1 3.34Å
108P92.6Very high88.6Confident2 Ų261.8 Ų61.81%0.01336%0.361CS..THydrogen-bonded Turncis-76.1-6.1-1.835-40.9000114.5I22 F90 I92 F110 A115 V135I22-P108 HydrophobicContact CB-CB 3.98Å; I22-P108 HydrophobicContact CG1-CB 4.35Å; I22-P108 HydrophobicContact CG2-CB 4.06Å; F90-P108 HydrophobicContact CB-CB 4.17Å; F90-P108 HydrophobicContact CB-CG 4.03Å; F90-P108 HydrophobicContact CD1-CG 4.18Å; F90-P108 HydrophobicContact CD2-CB 4.26Å; F90-P108 HydrophobicContact CD2-CG 3.57Å; F90-P108 HydrophobicContact CE2-CG 3.98Å; F90-P108 HydrophobicContact CG-CB 4.32Å; F90-P108 HydrophobicContact CG-CG 3.68Å; F90-P108 HydrophobicContact CZ-CG 4.45Å; I92-P108 HydrophobicContact CG2-CB 4.36Å; P108-F110 WeakPolarHBondContact O-CD2 3.49Å; P108-F110 VanDerWaalsContact O-CE2 3.23Å; P108-F110 WeakPolarHBondContact O-CE2 3.33Å; P108-F110 PolarHBondContact O-N 3.28Å; P108-A115 HydrophobicContact CB-CB 4.21Å; P108-A115 WeakPolarHBondContact O-CB 3.45Å; P108-V135 HydrophobicContact CG-CB 4.37Å; P108-V135 HydrophobicContact CG-CG1 3.83Å
109T92.2Very high89.2Confident1 Ų161 Ų611%0.00635%0.354CS..SBendtrans-89.574179.348.80000111.2T105 N106 P107 N111 G112 E113 A115 V135 Y137 W142T105-T109 VanDerWaalsContact O-O 3.13Å; N106-T109 CarbonylContact C-O 3.34Å; N106-T109 CarbonylContact O-C 3.56Å; N106-T109 WeakPolarHBondContact O-CA 3.37Å; N106-T109 PolarHBondContact O-N 2.96Å; N106-T109 PolarHBondContact O-OG1 3.35Å; P107-T109 VanDerWaalsContact C-N 3.29Å; T109-N111 PolarHBondContact O-N 2.87Å; T109-G112 PolarHBondContact O-N 3.37Å; T109-E113 CarbonylContact C-O 3.52Å; T109-E113 WeakPolarHBondContact CA-O 3.49Å; T109-E113 WeakPolarHBondContact CB-O 3.1Å; T109-A115 HydrophobicContact CG2-CB 4.47Å; T109-V135 HydrophobicContact CG2-CG1 4.33Å; T109-V135 VanDerWaalsContact CG2-O 3.26Å; T109-V135 WeakPolarHBondContact CG2-O 3.36Å; T109-Y137 WeakPolarHBondContact OG1-CB 3.4Å; T109-W142 PolarHBondContact OG1-NE1 3.32Å
110F90.4Very high89.7Confident18 Ų1854.3 Ų54.38%0.07933%0.328CS..G310 helixtrans-62.5122.1-171-61.8-85000111.7A15 I22 P102 S103 T105 P107 P108 G112 E113A15-F110 HydrophobicContact CB-CE1 4.43Å; I22-F110 HydrophobicContact CD1-CE2 4.38Å; I22-F110 HydrophobicContact CD1-CZ 4.23Å; I22-F110 HydrophobicContact CG1-CE2 4.23Å; I22-F110 HydrophobicContact CG1-CZ 4.34Å; I22-F110 HydrophobicContact CG2-CE2 4.24Å; I22-F110 HydrophobicContact CG2-CZ 3.77Å; P102-F110 HydrophobicContact CB-CD2 3.57Å; P102-F110 HydrophobicContact CB-CE2 3.69Å; P102-F110 HydrophobicContact CB-CG 4.06Å; P102-F110 HydrophobicContact CB-CZ 4.2Å; P102-F110 HydrophobicContact CG-CD2 3.73Å; P102-F110 HydrophobicContact CG-CE2 3.36Å; P102-F110 HydrophobicContact CG-CZ 3.93Å; P102-F110 VanDerWaalsContact O-CE1 3.25Å; P102-F110 WeakPolarHBondContact O-CE1 3.5Å; P102-F110 WeakPolarHBondContact O-CZ 2.99Å; S103-F110 VanDerWaalsContact C-CD1 3.41Å; T105-F110 CarbonylContact O-C 3.46Å; T105-F110 WeakPolarHBondContact O-CA 3.17Å; P107-F110 HydrophobicContact CB-CD1 4.25Å; P107-F110 HydrophobicContact CB-CE1 3.64Å; P107-F110 HydrophobicContact CB-CZ 3.81Å; P108-F110 WeakPolarHBondContact O-CD2 3.49Å; P108-F110 VanDerWaalsContact O-CE2 3.23Å; P108-F110 WeakPolarHBondContact O-CE2 3.33Å; P108-F110 PolarHBondContact O-N 3.28Å; F110-G112 PolarHBondContact O-N 2.88Å; F110-E113 WeakPolarHBondContact O-CB 3.44Å; F110-E113 PolarHBondContact O-N 3.43Å; F110-E113 VanDerWaalsContact O-N 3.17Å
111N90.6Very high90.1Very high103 Ų10351 Ų5155%0.55131%0.307SS*.G310 helixtrans59.428.8-179.1-51.4-44.7000114.1G104 T105 T109 E113G104-N111 VanDerWaalsContact CA-OD1 3.24Å; G104-N111 WeakPolarHBondContact CA-OD1 3.48Å; T105-N111 PolarHBondContact N-OD1 3.05Å; T105-N111 PolarHBondContact O-N 3.06Å; T105-N111 PolarHBondContact OG1-OD1 2.76Å; T109-N111 PolarHBondContact O-N 2.87Å; N111-E113 PolarHBondContact O-N 3.42Å
112G87.6Confident90.3Very high53 Ų5355.1 Ų55.155%0.54632%0.316SS..G310 helixtrans79.82.8-179.800000114T109 F110T109-G112 PolarHBondContact O-N 3.37Å; F110-G112 PolarHBondContact O-N 2.88Å
113E92.9Very high90Very high147 Ų14755 Ų5569%0.68732%0.323SS*.  trans-75.2141.3169.8-62.3-172.2170.200110.3T109 F110 N111T109-E113 CarbonylContact C-O 3.52Å; T109-E113 WeakPolarHBondContact CA-O 3.49Å; T109-E113 WeakPolarHBondContact CB-O 3.1Å; F110-E113 WeakPolarHBondContact O-CB 3.44Å; F110-E113 PolarHBondContact O-N 3.43Å; F110-E113 VanDerWaalsContact O-N 3.17Å; N111-E113 PolarHBondContact O-N 3.42Å
114N94.6Very high89.5Confident89 Ų8956.2 Ų56.248%0.47632%0.317SS..  trans-66.3142.6176.6-70.2-20.8000110.5P116 T134 R136N114-P116 WeakPolarHBondContact O-CD 3.26Å; N114-T134 HydrophobicContact CB-CG2 3.58Å; N114-R136 WeakPolarHBondContact OD1-CG 3.41Å
115A93.4Very high88.8Confident4 Ų459.1 Ų59.13%0.03332%0.317CS..EExtended strand (participates in β ladder)trans-98.2113.917700000109.8I92 P108 T109 V135I92-A115 HydrophobicContact CG2-CB 3.87Å; P108-A115 HydrophobicContact CB-CB 4.21Å; P108-A115 WeakPolarHBondContact O-CB 3.45Å; T109-A115 HydrophobicContact CG2-CB 4.47Å; A115-V135 HydrophobicContact CB-CB 4.08Å; A115-V135 HydrophobicContact CB-CG2 4.48Å; A115-V135 PolarHBondContact N-O 2.91Å; A115-V135 PolarHBondContact O-N 3.23Å
116P93.9Very high88.4Confident76 Ų7660.6 Ų60.649%0.49432%0.322SS..EExtended strand (participates in β ladder)trans-80.9152.5179.933.2-35000111.5I92 T93 N114 Y133I92-P116 WeakPolarHBondContact CA-O 2.96Å; T93-P116 PolarHBondContact N-O 2.77Å; N114-P116 WeakPolarHBondContact O-CD 3.26Å; P116-Y133 CarbonylContact C-O 3.53Å
117G93.2Very high88.4Confident5 Ų558.7 Ų58.75%0.05231%0.312CS..EExtended strand (participates in β ladder)trans-141.3150.7173.200000110.9T93 T132 Y133T93-G117 VanDerWaalsContact OG1-CA 3.25Å; T93-G117 WeakPolarHBondContact OG1-CA 3.03Å; G117-T132 WeakPolarHBondContact O-CA 3.27Å; G117-Y133 VanDerWaalsContact C-CE1 3.48Å; G117-Y133 VanDerWaalsContact CA-CZ 3.48Å; G117-Y133 PolarHBondContact N-O 2.87Å; G117-Y133 PolarHBondContact O-N 2.68Å
118F92.8Very high88.4Confident103 Ų10358.5 Ų58.545%0.45231%0.311SS..EExtended strand (participates in β ladder)trans-141.7132.5-179.3173.5-89.9000109.4T93 L120 D130 I131 T132T93-F118 PolarHBondContact OG1-N 3.11Å; T93-F118 VanDerWaalsContact OG1-N 3.07Å; F118-L120 HydrophobicContact CE1-CB 3.99Å; F118-L120 HydrophobicContact CZ-CB 4.17Å; F118-D130 WeakPolarHBondContact CD2-OD1 3.28Å; F118-D130 WeakPolarHBondContact CE2-OD1 3.47Å; F118-I131 CarbonylContact C-O 3.59Å; F118-I131 WeakPolarHBondContact CA-O 3.27Å; F118-T132 HydrophobicContact CD2-CG2 4.12Å
119L92.3Very high88.3Confident8 Ų859.4 Ų59.44%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-126.5144.2168.7-41.3173.4000108.9P53 V56 Y71 L121 I131 Y133P53-L119 WeakPolarHBondContact O-CD2 3.17Å; V56-L119 HydrophobicContact CG1-CD1 3.74Å; V56-L119 HydrophobicContact CG1-CD2 4.38Å; V56-L119 HydrophobicContact CG1-CG 4.43Å; Y71-L119 HydrophobicContact CD1-CD1 4.07Å; Y71-L119 HydrophobicContact CG-CD1 4.34Å; L119-L121 HydrophobicContact CB-CD2 4.27Å; L119-L121 HydrophobicContact CB-CG 4.27Å; L119-I131 HydrophobicContact CB-CB 4.16Å; L119-I131 HydrophobicContact CD1-CD1 4.42Å; L119-I131 HydrophobicContact CD1-CG2 4.47Å; L119-I131 PolarHBondContact N-O 2.86Å; L119-I131 PolarHBondContact O-N 3.28Å; L119-Y133 HydrophobicContact CD1-CE1 4.4Å; L119-Y133 HydrophobicContact CD2-CE1 3.94Å; L119-Y133 HydrophobicContact CG-CD1 4.45Å; L119-Y133 HydrophobicContact CG-CE1 3.84Å
120L89.9Confident88.2Confident66 Ų6661.5 Ų61.535%0.34633%0.328SS..EExtended strand (participates in β ladder)trans-117.8107.6165.3-173.667.6000107.5F118 Y122 P128 W318F118-L120 HydrophobicContact CE1-CB 3.99Å; F118-L120 HydrophobicContact CZ-CB 4.17Å; L120-Y122 HydrophobicContact CD2-CE2 3.98Å; L120-Y122 WeakPolarHBondContact CD2-OH 3.49Å; L120-Y122 HydrophobicContact CG-CE2 4.05Å; L120-P128 HydrophobicContact CD1-CB 3.86Å; L120-P128 HydrophobicContact CG-CB 4.38Å; L120-W318 HydrophobicContact CD1-CH2 4.15Å
121L90Very high88.4Confident33 Ų3360.7 Ų60.717%0.17332%0.324CS..EExtended strand (participates in β ladder)trans-106.9135.6-178.2-57.1-174.4000109.8P53 Y71 L119 P128 T129 I131P53-L121 HydrophobicContact CB-CD2 3.77Å; P53-L121 WeakPolarHBondContact O-CD2 3.1Å; Y71-L121 HydrophobicContact CD1-CD1 3.91Å; Y71-L121 HydrophobicContact CE1-CD1 3.4Å; Y71-L121 VanDerWaalsContact CE1-CD1 3.4Å; L119-L121 HydrophobicContact CB-CD2 4.27Å; L119-L121 HydrophobicContact CB-CG 4.27Å; L121-P128 CarbonylContact O-C 3.58Å; L121-P128 VanDerWaalsContact O-CA 3.26Å; L121-P128 WeakPolarHBondContact O-CA 3.48Å; L121-T129 PolarHBondContact N-O 2.79Å; L121-T129 PolarHBondContact O-N 2.77Å; L121-I131 HydrophobicContact CB-CD1 4.46Å; L121-I131 HydrophobicContact CD1-CD1 3.41Å; L121-I131 VanDerWaalsContact CD1-CD1 3.41Å; L121-I131 HydrophobicContact CG-CD1 3.8Å
122Y86Confident88.5Confident137 Ų13758.6 Ų58.654%0.53732%0.315SS..EExtended strand (participates in β ladder)trans-99.8122.6178-69.4-94.4000109.8L120 N126 P128L120-Y122 HydrophobicContact CD2-CE2 3.98Å; L120-Y122 WeakPolarHBondContact CD2-OH 3.49Å; L120-Y122 HydrophobicContact CG-CE2 4.05Å; Y122-N126 HydrophobicContact CD1-CB 4.44Å; Y122-P128 HydrophobicContact CD1-CB 3.88Å; Y122-P128 HydrophobicContact CD1-CG 4.46Å; Y122-P128 HydrophobicContact CE1-CB 3.79Å; Y122-P128 HydrophobicContact CE1-CG 4.15Å; Y122-P128 HydrophobicContact CG-CB 4.47Å
123G78Confident88.8Confident44 Ų4456.3 Ų56.345%0.45429%0.29SS..  trans-89.6-156.9175.200000112.9N126 N127G123-N126 PolarHBondContact O-N 2.81Å; G123-N127 PolarHBondContact N-O 3.43Å
124E73.9Confident88.9Confident127 Ų12751.2 Ų51.259%0.59327%0.269SS*.G310 helixtrans-59.4150.2172.2-64.4-166.6162.600111N126 N127E124-N126 PolarHBondContact O-N 3.43Å; E124-N127 WeakPolarHBondContact O-CB 3.1Å; E124-N127 PolarHBondContact O-N 2.97Å
125Y72.5Confident89Confident98 Ų9847 Ų4738%0.38425%0.246SC..G310 helixtrans52.828.7-178.3-52.5-81.4000114.6N127 D155Y125-N127 PolarHBondContact O-N 3.36Å; Y125-D155 HydrophobicContact CD2-CB 4.33Å; Y125-D155 WeakPolarHBondContact CD2-O 3.03Å; Y125-D155 HydrophobicContact CE2-CB 4.45Å; Y125-D155 WeakPolarHBondContact CE2-O 3.26Å
126N79.1Confident89.1Confident112 Ų11251.1 Ų51.160%0.59926%0.261SS*.G310 helixtrans54.924.9-174.4-63.3-34.7000113.5Y122 G123 E124 P128Y122-N126 HydrophobicContact CD1-CB 4.44Å; G123-N126 PolarHBondContact O-N 2.81Å; E124-N126 PolarHBondContact O-N 3.43Å; N126-P128 WeakPolarHBondContact O-CD 3.34Å
127N88.7Confident89.2Confident2 Ų250.7 Ų50.71%0.01125%0.25CS..  trans-72.2107.3176.3-173.110000109.3G123 E124 Y125 I150 C152G123-N127 PolarHBondContact N-O 3.43Å; E124-N127 WeakPolarHBondContact O-CB 3.1Å; E124-N127 PolarHBondContact O-N 2.97Å; Y125-N127 PolarHBondContact O-N 3.36Å; N127-I150 VanDerWaalsContact ND2-CG2 3.3Å; N127-I150 WeakPolarHBondContact ND2-CG2 3.44Å; N127-C152 PolarHBondContact ND2-O 3.11Å; N127-C152 WeakPolarHBondContact OD1-CB 3.39Å; N127-C152 PolarHBondContact OD1-N 2.97Å
128P91.1Very high89.2Confident0 Ų056.5 Ų56.50%028%0.276CS..EExtended strand (participates in β ladder)trans-78.4150.2-17527-23.9000112L120 L121 Y122 N126 A151 Y159 W318L120-P128 HydrophobicContact CD1-CB 3.86Å; L120-P128 HydrophobicContact CG-CB 4.38Å; L121-P128 CarbonylContact O-C 3.58Å; L121-P128 VanDerWaalsContact O-CA 3.26Å; L121-P128 WeakPolarHBondContact O-CA 3.48Å; Y122-P128 HydrophobicContact CD1-CB 3.88Å; Y122-P128 HydrophobicContact CD1-CG 4.46Å; Y122-P128 HydrophobicContact CE1-CB 3.79Å; Y122-P128 HydrophobicContact CE1-CG 4.15Å; Y122-P128 HydrophobicContact CG-CB 4.47Å; N126-P128 WeakPolarHBondContact O-CD 3.34Å; P128-A151 HydrophobicContact CG-CB 3.72Å; P128-A151 WeakPolarHBondContact O-CB 3.26Å; P128-A151 PolarHBondContact O-N 2.85Å; P128-Y159 HydrophobicContact CG-CD1 3.96Å; P128-Y159 HydrophobicContact CG-CD2 3.85Å; P128-Y159 HydrophobicContact CG-CE1 3.93Å; P128-Y159 HydrophobicContact CG-CE2 3.78Å; P128-Y159 HydrophobicContact CG-CG 3.93Å; P128-W318 HydrophobicContact CB-CH2 4.05Å; P128-W318 HydrophobicContact CB-CZ2 4.34Å; P128-W318 HydrophobicContact CG-CH2 3.87Å; P128-W318 HydrophobicContact CG-CZ2 3.75Å
129T91.1Very high89.2Confident22 Ų2259.4 Ų59.414%0.13530%0.296CS..EExtended strand (participates in β ladder)trans-113.9117.2168.4-52.60000108.3L121 I131 K149 I150L121-T129 PolarHBondContact N-O 2.79Å; L121-T129 PolarHBondContact O-N 2.77Å; T129-I131 HydrophobicContact CG2-CD1 4.25Å; T129-I131 HydrophobicContact CG2-CG1 3.79Å; T129-K149 CarbonylContact C-O 3.48Å; T129-K149 VanDerWaalsContact CA-O 3.24Å; T129-K149 WeakPolarHBondContact CA-O 3.49Å; T129-K149 WeakPolarHBondContact CG2-O 3.43Å; T129-I150 HydrophobicContact CG2-CG1 4.08Å
130D91.1Very high89.3Confident45 Ų4560.1 Ų60.124%0.24131%0.306CS..EExtended strand (participates in β ladder)trans-78.3124.8166.6-179-0.4000108.2F118 S148 K149 W318F118-D130 WeakPolarHBondContact CD2-OD1 3.28Å; F118-D130 WeakPolarHBondContact CE2-OD1 3.47Å; D130-S148 CarbonylContact O-C 3.15Å; D130-S148 VanDerWaalsContact O-CA 3.27Å; D130-S148 WeakPolarHBondContact O-CA 3.4Å; D130-K149 PolarHBondContact N-O 2.87Å; D130-K149 PolarHBondContact O-N 2.92Å; D130-W318 HydrophobicContact CB-CE3 4.44Å; D130-W318 HydrophobicContact CB-CH2 3.92Å; D130-W318 HydrophobicContact CB-CZ3 3.6Å
131I92.7Very high89.6Confident0 Ų059 Ų590%030%0.3CS..EExtended strand (participates in β ladder)trans-125.4109.5179.7-58.1165000107.4Y71 F118 L119 L121 T129 V146Y71-I131 HydrophobicContact CD1-CD1 3.61Å; Y71-I131 HydrophobicContact CD2-CD1 3.84Å; Y71-I131 HydrophobicContact CD2-CG1 4.41Å; Y71-I131 HydrophobicContact CD2-CG2 3.8Å; Y71-I131 HydrophobicContact CE1-CD1 3.39Å; Y71-I131 HydrophobicContact CE2-CD1 3.59Å; Y71-I131 HydrophobicContact CE2-CG1 4.24Å; Y71-I131 HydrophobicContact CE2-CG2 4.42Å; Y71-I131 HydrophobicContact CG-CD1 3.84Å; Y71-I131 HydrophobicContact CG-CG2 3.92Å; F118-I131 CarbonylContact C-O 3.59Å; F118-I131 WeakPolarHBondContact CA-O 3.27Å; L119-I131 HydrophobicContact CB-CB 4.16Å; L119-I131 HydrophobicContact CD1-CD1 4.42Å; L119-I131 HydrophobicContact CD1-CG2 4.47Å; L119-I131 PolarHBondContact N-O 2.86Å; L119-I131 PolarHBondContact O-N 3.28Å; L121-I131 HydrophobicContact CB-CD1 4.46Å; L121-I131 HydrophobicContact CD1-CD1 3.41Å; L121-I131 VanDerWaalsContact CD1-CD1 3.41Å; L121-I131 HydrophobicContact CG-CD1 3.8Å; T129-I131 HydrophobicContact CG2-CD1 4.25Å; T129-I131 HydrophobicContact CG2-CG1 3.79Å; I131-V146 HydrophobicContact CG2-CG1 3.51Å
132T93.4Very high89.9Confident60 Ų6057.5 Ų57.537%0.36829%0.292SS..EExtended strand (participates in β ladder)trans-98.8136169.260.60000108.7G117 F118 E147G117-T132 WeakPolarHBondContact O-CA 3.27Å; F118-T132 HydrophobicContact CD2-CG2 4.12Å; T132-E147 PolarHBondContact N-O 2.72Å; T132-E147 PolarHBondContact O-N 2.97Å; T132-E147 PolarHBondContact OG1-O 2.85Å
133Y94.6Very high90.3Very high5 Ų551.1 Ų51.12%0.0227%0.268CS..EExtended strand (participates in β ladder)trans-136.9153.5174.262.4-86.1000111.2V56 K91 P116 G117 L119 V144 F145V56-Y133 HydrophobicContact CB-CE2 4.28Å; V56-Y133 HydrophobicContact CG1-CD1 4.28Å; V56-Y133 HydrophobicContact CG1-CE1 3.75Å; V56-Y133 HydrophobicContact CG1-CE2 4.29Å; K91-Y133 WeakPolarHBondContact O-CE2 3.32Å; K91-Y133 PolarHBondContact O-OH 3.39Å; P116-Y133 CarbonylContact C-O 3.53Å; G117-Y133 VanDerWaalsContact C-CE1 3.48Å; G117-Y133 VanDerWaalsContact CA-CZ 3.48Å; G117-Y133 PolarHBondContact N-O 2.87Å; G117-Y133 PolarHBondContact O-N 2.68Å; L119-Y133 HydrophobicContact CD1-CE1 4.4Å; L119-Y133 HydrophobicContact CD2-CE1 3.94Å; L119-Y133 HydrophobicContact CG-CD1 4.45Å; L119-Y133 HydrophobicContact CG-CE1 3.84Å; Y133-V144 HydrophobicContact CD2-CG1 3.96Å; Y133-V144 HydrophobicContact CG-CG1 4.4Å; Y133-F145 CarbonylContact C-O 3.6Å; Y133-F145 WeakPolarHBondContact CA-O 3.44Å; Y133-F145 WeakPolarHBondContact CB-O 3.33Å
134T95.4Very high91.2Very high39 Ų3949.7 Ų49.724%0.23925%0.25CS..EExtended strand (participates in β ladder)trans-128.9123.2-179-57.90000109.1N114 R136 F145N114-T134 HydrophobicContact CB-CG2 3.58Å; T134-R136 HydrophobicContact CG2-CG 3.89Å; T134-F145 PolarHBondContact N-O 2.78Å; T134-F145 PolarHBondContact O-N 2.85Å
135V95.9Very high92.1Very high0 Ų047.1 Ų47.10%024%0.237CC..EExtended strand (participates in β ladder)trans-86126.1168.6-168.70000108.8F90 P108 T109 A115 W142 G143 V144F90-V135 HydrophobicContact CD1-CG1 4.11Å; F90-V135 HydrophobicContact CD1-CG2 4Å; F90-V135 HydrophobicContact CE1-CG1 3.97Å; P108-V135 HydrophobicContact CG-CB 4.37Å; P108-V135 HydrophobicContact CG-CG1 3.83Å; T109-V135 HydrophobicContact CG2-CG1 4.33Å; T109-V135 VanDerWaalsContact CG2-O 3.26Å; T109-V135 WeakPolarHBondContact CG2-O 3.36Å; A115-V135 HydrophobicContact CB-CB 4.08Å; A115-V135 HydrophobicContact CB-CG2 4.48Å; A115-V135 PolarHBondContact N-O 2.91Å; A115-V135 PolarHBondContact O-N 3.23Å; V135-W142 HydrophobicContact CG1-CB 3.89Å; V135-W142 HydrophobicContact CG1-CG 4.33Å; V135-G143 CarbonylContact C-O 3.56Å; V135-G143 WeakPolarHBondContact CA-O 3.48Å; V135-V144 HydrophobicContact CG2-CG2 4.29Å
136R95.9Very high93.1Very high92 Ų9244.9 Ų44.935%0.34723%0.233SC..EExtended strand (participates in β ladder)trans-124.4142.2178.1-49.5-177.1-178.6162.32.6110N114 T134 W142 G143 F145N114-R136 WeakPolarHBondContact OD1-CG 3.41Å; T134-R136 HydrophobicContact CG2-CG 3.89Å; R136-W142 CarbonylContact O-C 3.58Å; R136-W142 VanDerWaalsContact O-CA 3.26Å; R136-W142 WeakPolarHBondContact O-CA 3.08Å; R136-G143 PolarHBondContact N-O 3.19Å; R136-G143 PolarHBondContact O-N 3.43Å; R136-F145 HydrophobicContact CB-CD2 4.25Å; R136-F145 HydrophobicContact CB-CE2 3.88Å; R136-F145 HydrophobicContact CG-CD2 3.78Å; R136-F145 HydrophobicContact CG-CE2 3.88Å
137Y95.8Very high93.7Very high67 Ų6746.4 Ų46.426%0.26324%0.237SC..EExtended strand (participates in β ladder)trans-110.2116.7179.4-178-107.1000111.7K79 N106 T109 G140 L141 W142K79-Y137 HydrophobicContact CB-CE2 4.19Å; K79-Y137 HydrophobicContact CD-CE2 3.99Å; K79-Y137 WeakPolarHBondContact CD-OH 3.01Å; N106-Y137 HydrophobicContact CB-CD1 4.14Å; N106-Y137 HydrophobicContact CB-CE1 4.31Å; T109-Y137 WeakPolarHBondContact OG1-CB 3.4Å; Y137-G140 WeakPolarHBondContact OH-CA 2.91Å; Y137-L141 WeakPolarHBondContact CA-O 3.32Å; Y137-L141 VanDerWaalsContact CD2-O 3.32Å; Y137-L141 WeakPolarHBondContact CD2-O 3.39Å; Y137-W142 AromaticContact CD2-CD1 3.48Å; Y137-W142 VanDerWaalsContact CD2-CD1 3.48Å; Y137-W142 AromaticContact CD2-CD2 3.9Å; Y137-W142 HydrophobicContact CD2-CD2 3.9Å; Y137-W142 AromaticContact CD2-CE2 3.53Å; Y137-W142 AromaticContact CD2-CG 3.86Å; Y137-W142 HydrophobicContact CD2-CG 3.86Å; Y137-W142 HydrophobicContact CD2-CZ2 4.22Å; Y137-W142 AromaticContact CD2-NE1 3.23Å; Y137-W142 HydrophobicContact CE2-CD2 4.29Å; Y137-W142 AromaticContact CE2-CE2 3.87Å; Y137-W142 HydrophobicContact CE2-CZ2 4.13Å; Y137-W142 AromaticContact CG-CD1 3.98Å; Y137-W142 AromaticContact CG-NE1 3.74Å
138E93.6Very high93.8Very high126 Ų12649.7 Ų49.759%0.58926%0.26SS*.EExtended strand (participates in β ladder)trans-142135.9179.1-66.7-177.2-167.900110G140 L141E138-G140 PolarHBondContact O-N 3.29Å; E138-L141 PolarHBondContact N-O 3.06Å; E138-L141 PolarHBondContact O-N 3.08Å
139N93.2Very high93.7Very high164 Ų16452.1 Ų52.188%0.87727%0.271SS*.THydrogen-bonded Turntrans51.336.2171.9-58.3-42.6000115.3L141N139-L141 VanDerWaalsContact C-N 3.35Å
140G93.7Very high93.7Very high24 Ų2455.4 Ų55.425%0.24729%0.286CS..THydrogen-bonded Turntrans85.43179.600000115.1K79 Y137 E138K79-G140 WeakPolarHBondContact CB-O 3.41Å; K79-G140 PolarHBondContact N-O 3.26Å; Y137-G140 WeakPolarHBondContact OH-CA 2.91Å; E138-G140 PolarHBondContact O-N 3.29Å
141L96.4Very high93.8Very high42 Ų4253.4 Ų53.422%0.2228%0.276CS..EExtended strand (participates in β ladder)trans-118.3141.1179.7-57.7178.1000110.6H29 Y76 V77 K78 Y137 E138 N139H29-L141 HydrophobicContact CB-CD2 4.3Å; Y76-L141 HydrophobicContact CD1-CB 4.32Å; Y76-L141 HydrophobicContact CD1-CD1 4.33Å; V77-L141 CarbonylContact O-C 3.52Å; V77-L141 WeakPolarHBondContact O-CA 3.39Å; K78-L141 HydrophobicContact CB-CD2 3.78Å; K78-L141 HydrophobicContact CG-CD2 4.09Å; Y137-L141 WeakPolarHBondContact CA-O 3.32Å; Y137-L141 VanDerWaalsContact CD2-O 3.32Å; Y137-L141 WeakPolarHBondContact CD2-O 3.39Å; E138-L141 PolarHBondContact N-O 3.06Å; E138-L141 PolarHBondContact O-N 3.08Å; N139-L141 VanDerWaalsContact C-N 3.35Å
142W95.8Very high93.9Very high2 Ų253.5 Ų53.51%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-93.8117.3160.1-62.9-79.4000108.9V24 Y76 V77 K79 F90 P107 T109 V135 R136 Y137V24-W142 HydrophobicContact CB-CH2 4.33Å; V24-W142 HydrophobicContact CG2-CH2 3.79Å; V24-W142 HydrophobicContact CG2-CZ2 4.43Å; V24-W142 HydrophobicContact CG2-CZ3 3.9Å; Y76-W142 CarbonylContact C-O 3.53Å; Y76-W142 WeakPolarHBondContact CA-O 3.06Å; V77-W142 HydrophobicContact CB-CB 4.4Å; V77-W142 HydrophobicContact CB-CE3 4.32Å; V77-W142 HydrophobicContact CG1-CE3 4.03Å; V77-W142 HydrophobicContact CG1-CZ3 4.5Å; V77-W142 PolarHBondContact N-O 3.15Å; V77-W142 PolarHBondContact O-N 2.88Å; K79-W142 HydrophobicContact CB-CE3 4.19Å; K79-W142 HydrophobicContact CB-CH2 3.47Å; K79-W142 VanDerWaalsContact CB-CH2 3.47Å; K79-W142 HydrophobicContact CB-CZ2 4.14Å; K79-W142 HydrophobicContact CB-CZ3 3.5Å; K79-W142 VanDerWaalsContact CB-CZ3 3.5Å; K79-W142 HydrophobicContact CD-CH2 3.63Å; K79-W142 HydrophobicContact CD-CZ2 3.74Å; K79-W142 HydrophobicContact CG-CH2 3.38Å; K79-W142 HydrophobicContact CG-CZ2 4.03Å; K79-W142 HydrophobicContact CG-CZ3 3.92Å; F90-W142 HydrophobicContact CE1-CB 4.16Å; F90-W142 HydrophobicContact CE2-CD2 4.4Å; F90-W142 HydrophobicContact CE2-CE3 4.31Å; F90-W142 HydrophobicContact CZ-CB 3.78Å; F90-W142 HydrophobicContact CZ-CD2 4.22Å; F90-W142 HydrophobicContact CZ-CE3 4.16Å; F90-W142 HydrophobicContact CZ-CG 4.06Å; P107-W142 VanDerWaalsContact O-CE2 3.23Å; P107-W142 WeakPolarHBondContact O-CZ2 3.46Å; P107-W142 PolarHBondContact O-NE1 3.34Å; T109-W142 PolarHBondContact OG1-NE1 3.32Å; V135-W142 HydrophobicContact CG1-CB 3.89Å; V135-W142 HydrophobicContact CG1-CG 4.33Å; R136-W142 CarbonylContact O-C 3.58Å; R136-W142 VanDerWaalsContact O-CA 3.26Å; R136-W142 WeakPolarHBondContact O-CA 3.08Å; Y137-W142 AromaticContact CD2-CD1 3.48Å; Y137-W142 VanDerWaalsContact CD2-CD1 3.48Å; Y137-W142 AromaticContact CD2-CD2 3.9Å; Y137-W142 HydrophobicContact CD2-CD2 3.9Å; Y137-W142 AromaticContact CD2-CE2 3.53Å; Y137-W142 AromaticContact CD2-CG 3.86Å; Y137-W142 HydrophobicContact CD2-CG 3.86Å; Y137-W142 HydrophobicContact CD2-CZ2 4.22Å; Y137-W142 AromaticContact CD2-NE1 3.23Å; Y137-W142 HydrophobicContact CE2-CD2 4.29Å; Y137-W142 AromaticContact CE2-CE2 3.87Å; Y137-W142 HydrophobicContact CE2-CZ2 4.13Å; Y137-W142 AromaticContact CG-CD1 3.98Å; Y137-W142 AromaticContact CG-NE1 3.74Å
143G95.6Very high93.8Very high3 Ų353.7 Ų53.73%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-94.8138.2170.400000110.6G75 V135 R136G75-G143 WeakPolarHBondContact O-CA 3.41Å; V135-G143 CarbonylContact C-O 3.56Å; V135-G143 WeakPolarHBondContact CA-O 3.48Å; R136-G143 PolarHBondContact N-O 3.19Å; R136-G143 PolarHBondContact O-N 3.43Å
144V95.1Very high93.5Very high13 Ų1356.1 Ų56.18%0.07929%0.293CS..EExtended strand (participates in β ladder)trans-104.1115.5172.4-175.40000108.3I74 G75 F90 Y133 V135 V146I74-V144 HydrophobicContact CD1-CG2 3.74Å; I74-V144 HydrophobicContact CG1-CB 4.2Å; I74-V144 HydrophobicContact CG1-CG2 3.87Å; I74-V144 HydrophobicContact CG2-CB 3.77Å; I74-V144 HydrophobicContact CG2-CG1 3.73Å; I74-V144 HydrophobicContact CG2-CG2 4.16Å; G75-V144 PolarHBondContact O-N 2.76Å; F90-V144 HydrophobicContact CE1-CG2 4.25Å; Y133-V144 HydrophobicContact CD2-CG1 3.96Å; Y133-V144 HydrophobicContact CG-CG1 4.4Å; V135-V144 HydrophobicContact CG2-CG2 4.29Å; V144-V146 HydrophobicContact CG1-CG2 4.2Å
145F94.3Very high92.9Very high73 Ų7358.2 Ų58.232%0.3230%0.302SS..EExtended strand (participates in β ladder)trans-110.4124-177.1-59.4-90.2000108.9Y76 Y133 T134 R136Y76-F145 HydrophobicContact CE1-CZ 4.42Å; Y133-F145 CarbonylContact C-O 3.6Å; Y133-F145 WeakPolarHBondContact CA-O 3.44Å; Y133-F145 WeakPolarHBondContact CB-O 3.33Å; T134-F145 PolarHBondContact N-O 2.78Å; T134-F145 PolarHBondContact O-N 2.85Å; R136-F145 HydrophobicContact CB-CD2 4.25Å; R136-F145 HydrophobicContact CB-CE2 3.88Å; R136-F145 HydrophobicContact CG-CD2 3.78Å; R136-F145 HydrophobicContact CG-CE2 3.88Å
146V92.3Very high92.5Very high51 Ų5166.4 Ų66.431%0.30933%0.334SS..EExtended strand (participates in β ladder)trans-116.8137.2-169.8-174.50000110.9Y71 I131 V144Y71-V146 HydrophobicContact CD2-CG1 3.98Å; Y71-V146 WeakPolarHBondContact O-CG2 3.4Å; I131-V146 HydrophobicContact CG2-CG1 3.51Å; V144-V146 HydrophobicContact CG1-CG2 4.2Å
147E91.7Very high92.3Very high144 Ų14462.2 Ų62.267%0.67332%0.319SS*.EExtended strand (participates in β ladder)trans-124.1125.8166.9-65.7178.6-174.700107.5T132T132-E147 PolarHBondContact N-O 2.72Å; T132-E147 PolarHBondContact O-N 2.97Å; T132-E147 PolarHBondContact OG1-O 2.85Å
148S90.3Very high92.2Very high71 Ų7159.6 Ų59.650%0.49731%0.31SS..EExtended strand (participates in β ladder)trans-120.6153.4178.564.40000111.4D130D130-S148 CarbonylContact O-C 3.15Å; D130-S148 VanDerWaalsContact O-CA 3.27Å; D130-S148 WeakPolarHBondContact O-CA 3.4Å
149K89.7Confident92.2Very high51 Ų5155.2 Ų55.222%0.22229%0.288CS..EExtended strand (participates in β ladder)trans-144.9129.3179.9-171.6-179.7-177.4-177.40109T129 D130 W318 W320T129-K149 CarbonylContact C-O 3.48Å; T129-K149 VanDerWaalsContact CA-O 3.24Å; T129-K149 WeakPolarHBondContact CA-O 3.49Å; T129-K149 WeakPolarHBondContact CG2-O 3.43Å; D130-K149 PolarHBondContact N-O 2.87Å; D130-K149 PolarHBondContact O-N 2.92Å; K149-W318 HydrophobicContact CD-CE3 4.1Å; K149-W318 WeakPolarHBondContact CE-O 3.24Å; K149-W318 HydrophobicContact CG-CE3 4.09Å; K149-W318 PolarHBondContact NZ-O 3.43Å; K149-W318 WeakPolarHBondContact O-CZ3 3.13Å; K149-W320 HydrophobicContact CD-CH2 4.26Å; K149-W320 HydrophobicContact CD-CZ2 3.83Å
150I91.4Very high92.2Very high91 Ų9147.9 Ų47.947%0.46725%0.249SC..EExtended strand (participates in β ladder)trans-93.8141.6175.3-53.6175.5000108.1N127 T129 C152N127-I150 VanDerWaalsContact ND2-CG2 3.3Å; N127-I150 WeakPolarHBondContact ND2-CG2 3.44Å; T129-I150 HydrophobicContact CG2-CG1 4.08Å; I150-C152 VanDerWaalsContact CG2-O 3.26Å; I150-C152 WeakPolarHBondContact CG2-O 3.29Å
151A93.7Very high92.1Very high3 Ų350.9 Ų50.93%0.02526%0.264CS..SBendtrans-68.4-49.3-177.300000111.9P128 Y159 A317 W318P128-A151 HydrophobicContact CG-CB 3.72Å; P128-A151 WeakPolarHBondContact O-CB 3.26Å; P128-A151 PolarHBondContact O-N 2.85Å; A151-Y159 HydrophobicContact CB-CD2 3.67Å; A151-Y159 HydrophobicContact CB-CE2 3.93Å; A151-A317 HydrophobicContact CB-CB 4.27Å; A151-A317 CarbonylContact O-C 3.55Å; A151-A317 WeakPolarHBondContact O-CA 3.42Å; A151-W318 VanDerWaalsContact CA-CE3 3.42Å; A151-W318 HydrophobicContact CB-CD2 3.71Å; A151-W318 HydrophobicContact CB-CE3 3.82Å; A151-W318 HydrophobicContact CB-CG 4.49Å; A151-W318 HydrophobicContact CB-CH2 3.62Å; A151-W318 HydrophobicContact CB-CZ2 3.5Å; A151-W318 HydrophobicContact CB-CZ3 3.77Å; A151-W318 PolarHBondContact O-N 3.37Å
152C93.8Very high91.8Very high2 Ų250 Ų501%0.01426%0.258CS..SBendtrans-105.8151.6178.7-53.80000111.9N127 I150 D154 W157 C168N127-C152 PolarHBondContact ND2-O 3.11Å; N127-C152 WeakPolarHBondContact OD1-CB 3.39Å; N127-C152 PolarHBondContact OD1-N 2.97Å; I150-C152 VanDerWaalsContact CG2-O 3.26Å; I150-C152 WeakPolarHBondContact CG2-O 3.29Å; C152-D154 VanDerWaalsContact C-N 3.29Å; C152-D154 PolarHBondContact O-N 3.21Å; C152-W157 HydrophobicContact CB-CB 3.4Å; C152-W157 VanDerWaalsContact CB-CB 3.4Å; C152-W157 HydrophobicContact CB-CG 4.13Å; C152-C168 WeakPolarHBondContact CA-SG 3.35Å; C152-C168 HydrophobicContact CB-CB 3.78Å; C152-C168 WeakPolarHBondContact CB-SG 3.45Å; C152-C168 WeakPolarHBondContact SG-CB 3.41Å; C152-C168 CovalentContact SG-SG 2.03Å; C152-C168 PolarHBondContact SG-SG 2.75Å
153P91.1Very high91.4Very high64 Ų6460.1 Ų60.142%0.41631%0.306SS..SBendtrans-57.9-33.9-170.3-27.634.1000116.1W157P153-W157 HydrophobicContact CG-CD2 4.47Å
154D88.1Confident90.9Very high57 Ų5763.9 Ų63.931%0.30533%0.331SS..SBendtrans-159.2174.5-178.262.156000109.9C152 Y156 W157 R170C152-D154 VanDerWaalsContact C-N 3.29Å; C152-D154 PolarHBondContact O-N 3.21Å; D154-Y156 PolarHBondContact O-N 3.22Å; D154-Y156 WeakPolarHBondContact OD1-CA 3.38Å; D154-Y156 VanDerWaalsContact OD1-CB 3.24Å; D154-Y156 WeakPolarHBondContact OD1-CB 3Å; D154-Y156 WeakPolarHBondContact OD1-CD2 3.33Å; D154-Y156 PolarHBondContact OD1-N 3.36Å; D154-W157 WeakPolarHBondContact O-CB 3.3Å; D154-W157 PolarHBondContact O-N 2.03Å; D154-W157 VanDerWaalsContact O-N 3.15Å; D154-R170 IonicContact OD1-NH1 3.97Å; D154-R170 PolarHBondContact OD1-NH1 3.41Å; D154-R170 IonicContact OD2-NH1 2.81Å; D154-R170 PolarHBondContact OD2-NH1 3.43Å
155D83.1Confident90.6Very high83 Ų8365.1 Ų65.144%0.44435%0.347SS..THydrogen-bonded Turntrans-70.9-7.4-176.1-58.4-38.3000114Y125 W157Y125-D155 HydrophobicContact CD2-CB 4.33Å; Y125-D155 WeakPolarHBondContact CD2-O 3.03Å; Y125-D155 HydrophobicContact CE2-CB 4.45Å; Y125-D155 WeakPolarHBondContact CE2-O 3.26Å; D155-W157 PolarHBondContact O-N 3.24Å
156Y87.3Confident90.6Very high171 Ų17163.8 Ų63.867%0.67134%0.343SS*.THydrogen-bonded Turntrans-84.3-0.5172.6-57.1-75000112.8D154D154-Y156 PolarHBondContact O-N 3.22Å; D154-Y156 WeakPolarHBondContact OD1-CA 3.38Å; D154-Y156 VanDerWaalsContact OD1-CB 3.24Å; D154-Y156 WeakPolarHBondContact OD1-CB 3Å; D154-Y156 WeakPolarHBondContact OD1-CD2 3.33Å; D154-Y156 PolarHBondContact OD1-N 3.36Å
157W92.6Very high90.8Very high4 Ų462.2 Ų62.22%0.01533%0.332CS..SBendtrans-99.9140.7171.6-6685.9000110.7C152 P153 D154 D155 C168 F169 R170 Y193 A195 R315C152-W157 HydrophobicContact CB-CB 3.4Å; C152-W157 VanDerWaalsContact CB-CB 3.4Å; C152-W157 HydrophobicContact CB-CG 4.13Å; P153-W157 HydrophobicContact CG-CD2 4.47Å; D154-W157 WeakPolarHBondContact O-CB 3.3Å; D154-W157 PolarHBondContact O-N 2.03Å; D154-W157 VanDerWaalsContact O-N 3.15Å; D155-W157 PolarHBondContact O-N 3.24Å; W157-C168 HydrophobicContact CB-CB 4.33Å; W157-C168 HydrophobicContact CD2-CB 4.33Å; W157-C168 HydrophobicContact CE3-CB 3.69Å; W157-C168 HydrophobicContact CZ3-CB 4.44Å; W157-C168 WeakPolarHBondContact CZ3-O 3.4Å; W157-F169 CarbonylContact C-O 3.55Å; W157-F169 VanDerWaalsContact CA-O 3.29Å; W157-F169 WeakPolarHBondContact CA-O 3.42Å; W157-R170 HydrophobicContact CD2-CB 3.61Å; W157-R170 HydrophobicContact CD2-CG 4.45Å; W157-R170 HydrophobicContact CE3-CB 3.44Å; W157-R170 VanDerWaalsContact CE3-CB 3.44Å; W157-R170 HydrophobicContact CG-CB 4.26Å; W157-R170 HydrophobicContact CH2-CB 3.91Å; W157-R170 HydrophobicContact CZ2-CB 4.11Å; W157-R170 HydrophobicContact CZ3-CB 3.59Å; W157-Y193 HydrophobicContact CZ2-CG 4.34Å; W157-A195 HydrophobicContact CH2-CB 3.73Å; W157-A195 HydrophobicContact CZ3-CB 4.48Å; W157-R315 HydrophobicContact CE3-CG 4.23Å; W157-R315 HydrophobicContact CH2-CG 3.84Å; W157-R315 HydrophobicContact CZ2-CG 4.46Å; W157-R315 HydrophobicContact CZ3-CG 3.7Å
158T93.3Very high90.9Very high13 Ų1355.3 Ų55.38%0.0830%0.3CS..EExtended strand (participates in β ladder)trans-106.2124.2175-56.50000109.8C168 F169 L208 L212T158-C168 WeakPolarHBondContact O-CA 3.39Å; T158-F169 PolarHBondContact N-O 2.72Å; T158-F169 PolarHBondContact O-N 3.11Å; T158-L208 HydrophobicContact CG2-CD1 3.74Å; T158-L208 HydrophobicContact CG2-CD2 4.25Å; T158-L208 HydrophobicContact CG2-CG 4.41Å; T158-L212 WeakPolarHBondContact OG1-CD2 3.41Å
159Y94.1Very high91.2Very high34 Ų3452 Ų5213%0.13328%0.276CS..EExtended strand (participates in β ladder)trans-74.7136179.6172.7-99000111.4P128 A151 P161 D166 A317 W318P128-Y159 HydrophobicContact CG-CD1 3.96Å; P128-Y159 HydrophobicContact CG-CD2 3.85Å; P128-Y159 HydrophobicContact CG-CE1 3.93Å; P128-Y159 HydrophobicContact CG-CE2 3.78Å; P128-Y159 HydrophobicContact CG-CG 3.93Å; A151-Y159 HydrophobicContact CB-CD2 3.67Å; A151-Y159 HydrophobicContact CB-CE2 3.93Å; Y159-P161 HydrophobicContact CE1-CB 3.96Å; Y159-P161 HydrophobicContact CE1-CG 4.16Å; Y159-D166 HydrophobicContact CE2-CB 3.63Å; Y159-D166 PolarHBondContact OH-OD1 2.82Å; Y159-D166 PolarHBondContact OH-OD2 2.86Å; Y159-A317 HydrophobicContact CD2-CB 4.34Å; Y159-A317 HydrophobicContact CE2-CB 4.32Å; Y159-W318 HydrophobicContact CE2-CZ2 4.33Å
160S93.8Very high91.5Very high9 Ų951.7 Ų51.76%0.06327%0.274CS..EExtended strand (participates in β ladder)trans-131.7111.6175.1-175.60000109.8Y167 E205S160-Y167 PolarHBondContact N-O 2.96Å; S160-Y167 PolarHBondContact O-N 3.17Å; S160-E205 WeakPolarHBondContact CB-OE1 3.49Å; S160-E205 WeakPolarHBondContact OG-CG 3.17Å; S160-E205 PolarHBondContact OG-OE1 2.94Å
161P91.2Very high91.7Very high87 Ų8748.3 Ų48.357%0.56526%0.26SS*.  trans-71136.6175.829.2-32.5000110.5Y159 D166Y159-P161 HydrophobicContact CE1-CB 3.96Å; Y159-P161 HydrophobicContact CE1-CG 4.16Å; P161-D166 WeakPolarHBondContact CA-OD1 3.46Å
162R90.4Very high91.8Very high24 Ų2448.2 Ų48.29%0.09126%0.259CS..  trans-134.1147.7175.5-56.3177.8169171.8-6110.9S164 G165 D166 Y167 F169 E205R162-S164 PolarHBondContact O-N 3.3Å; R162-G165 WeakPolarHBondContact CB-O 3.08Å; R162-G165 PolarHBondContact O-N 3.01Å; R162-G165 VanDerWaalsContact O-N 3.11Å; R162-D166 PolarHBondContact N-OD1 2.79Å; R162-Y167 VanDerWaalsContact CZ-CD1 3.44Å; R162-Y167 VanDerWaalsContact CZ-CG 3.43Å; R162-Y167 VanDerWaalsContact NH2-CD1 3.33Å; R162-F169 VanDerWaalsContact NH2-CZ 3.3Å; R162-E205 IonicContact CZ-OE1 3.19Å; R162-E205 IonicContact CZ-OE2 2.77Å; R162-E205 IonicContact NE-OE1 3.9Å; R162-E205 PolarHBondContact NE-OE1 2.85Å; R162-E205 IonicContact NE-OE2 3.48Å; R162-E205 VanDerWaalsContact NH2-CD 3.33Å; R162-E205 IonicContact NH2-OE1 2.73Å; R162-E205 PolarHBondContact NH2-OE1 2.99Å; R162-E205 VanDerWaalsContact NH2-OE1 3.11Å; R162-E205 IonicContact NH2-OE2 3.4Å; R162-E205 PolarHBondContact NH2-OE2 3.49Å
163E85.9Confident91.9Very high215 Ų21550.8 Ų50.8100%1.00527%0.272SS*.THydrogen-bonded Turntrans-60.4-29.5171.9-63.8-172.2167.200113G165E163-G165 VanDerWaalsContact C-N 3.32Å
164S85.4Confident91.9Very high81 Ų8148 Ų4857%0.56625%0.254SS*.THydrogen-bonded Turntrans-85.5-1.218048.80000114.2R162 M260R162-S164 PolarHBondContact O-N 3.3Å; S164-M260 VanDerWaalsContact OG-CE 3.29Å; S164-M260 WeakPolarHBondContact OG-CE 3.41Å
165G90.1Very high91.9Very high40 Ų4046.7 Ų46.741%0.41225%0.254SS..  trans120.6127.6-173.800000111.3R162 E163R162-G165 WeakPolarHBondContact CB-O 3.08Å; R162-G165 PolarHBondContact O-N 3.01Å; R162-G165 VanDerWaalsContact O-N 3.11Å; E163-G165 VanDerWaalsContact C-N 3.32Å
166D93.4Very high92Very high45 Ų4550.6 Ų50.624%0.24126%0.264CS..  trans-56151.1-176.1-58-27.2000112.8Y159 P161 R162 A317 W318Y159-D166 HydrophobicContact CE2-CB 3.63Å; Y159-D166 PolarHBondContact OH-OD1 2.82Å; Y159-D166 PolarHBondContact OH-OD2 2.86Å; P161-D166 WeakPolarHBondContact CA-OD1 3.46Å; R162-D166 PolarHBondContact N-OD1 2.79Å; D166-A317 HydrophobicContact CB-CB 3.7Å; D166-A317 WeakPolarHBondContact O-CB 3.49Å; D166-A317 PolarHBondContact O-N 3.02Å; D166-W318 PolarHBondContact OD2-NE1 3.19Å
167Y95.6Very high91.8Very high17 Ų1748.1 Ų48.17%0.06726%0.262CS..EExtended strand (participates in β ladder)trans-135.6156.5-170.9-146.9-117.7000111.4S160 R162 F169 S198 N258 G314 R315 E316S160-Y167 PolarHBondContact N-O 2.96Å; S160-Y167 PolarHBondContact O-N 3.17Å; R162-Y167 VanDerWaalsContact CZ-CD1 3.44Å; R162-Y167 VanDerWaalsContact CZ-CG 3.43Å; R162-Y167 VanDerWaalsContact NH2-CD1 3.33Å; Y167-F169 HydrophobicContact CD1-CD1 4.46Å; Y167-F169 HydrophobicContact CD1-CD2 4.48Å; Y167-F169 HydrophobicContact CD1-CE1 4.07Å; Y167-F169 HydrophobicContact CD1-CE2 4.08Å; Y167-F169 AromaticContact CD1-CZ 3.89Å; Y167-F169 HydrophobicContact CD1-CZ 3.89Å; Y167-F169 HydrophobicContact CE1-CE1 4.1Å; Y167-F169 HydrophobicContact CE1-CZ 4.31Å; Y167-S198 PolarHBondContact OH-OG 3.45Å; Y167-N258 PolarHBondContact OH-ND2 3.07Å; Y167-G314 VanDerWaalsContact CE1-CA 3.47Å; Y167-G314 VanDerWaalsContact CZ-C 3.41Å; Y167-G314 PolarHBondContact OH-O 2.88Å; Y167-G314 VanDerWaalsContact OH-O 3.13Å; Y167-R315 VanDerWaalsContact CD2-C 3.43Å; Y167-R315 WeakPolarHBondContact CD2-O 3.48Å; Y167-R315 WeakPolarHBondContact CE2-O 3.4Å; Y167-R315 PolarHBondContact OH-N 3.04Å; Y167-E316 HydrophobicContact CE2-CG 4.44Å
168C95.6Very high91.6Very high0 Ų050.9 Ų50.90%028%0.275CS..EExtended strand (participates in β ladder)trans-125.7128.1177.7-64.70000109C152 W157 T158 G314 R315 A317C152-C168 WeakPolarHBondContact CA-SG 3.35Å; C152-C168 HydrophobicContact CB-CB 3.78Å; C152-C168 WeakPolarHBondContact CB-SG 3.45Å; C152-C168 WeakPolarHBondContact SG-CB 3.41Å; C152-C168 CovalentContact SG-SG 2.03Å; C152-C168 PolarHBondContact SG-SG 2.75Å; W157-C168 HydrophobicContact CB-CB 4.33Å; W157-C168 HydrophobicContact CD2-CB 4.33Å; W157-C168 HydrophobicContact CE3-CB 3.69Å; W157-C168 HydrophobicContact CZ3-CB 4.44Å; W157-C168 WeakPolarHBondContact CZ3-O 3.4Å; T158-C168 WeakPolarHBondContact O-CA 3.39Å; C168-G314 CarbonylContact O-C 3.55Å; C168-G314 WeakPolarHBondContact O-CA 3.25Å; C168-R315 HydrophobicContact CB-CG 4.24Å; C168-R315 PolarHBondContact N-O 2.85Å; C168-R315 PolarHBondContact O-N 2.77Å; C168-A317 VanDerWaalsContact SG-CB 3.53Å
169F96.4Very high91.5Very high0 Ų054.4 Ų54.40%029%0.291CS..EExtended strand (participates in β ladder)trans-104.6144.5174.9-72.1-75.7000111.7W157 T158 R162 Y167 E205 L208 L209 L212 M312 C313W157-F169 CarbonylContact C-O 3.55Å; W157-F169 VanDerWaalsContact CA-O 3.29Å; W157-F169 WeakPolarHBondContact CA-O 3.42Å; T158-F169 PolarHBondContact N-O 2.72Å; T158-F169 PolarHBondContact O-N 3.11Å; R162-F169 VanDerWaalsContact NH2-CZ 3.3Å; Y167-F169 HydrophobicContact CD1-CD1 4.46Å; Y167-F169 HydrophobicContact CD1-CD2 4.48Å; Y167-F169 HydrophobicContact CD1-CE1 4.07Å; Y167-F169 HydrophobicContact CD1-CE2 4.08Å; Y167-F169 AromaticContact CD1-CZ 3.89Å; Y167-F169 HydrophobicContact CD1-CZ 3.89Å; Y167-F169 HydrophobicContact CE1-CE1 4.1Å; Y167-F169 HydrophobicContact CE1-CZ 4.31Å; F169-E205 VanDerWaalsContact CE2-CD 3.5Å; F169-E205 HydrophobicContact CE2-CG 4.09Å; F169-E205 WeakPolarHBondContact CE2-OE1 3.28Å; F169-E205 HydrophobicContact CZ-CG 4.48Å; F169-E205 WeakPolarHBondContact CZ-OE2 3.49Å; F169-L208 HydrophobicContact CD2-CD2 3.95Å; F169-L208 HydrophobicContact CE2-CD2 4.36Å; F169-L209 HydrophobicContact CB-CD2 4.45Å; F169-L209 HydrophobicContact CD1-CD2 3.76Å; F169-L209 HydrophobicContact CD2-CD2 4.29Å; F169-L209 HydrophobicContact CE1-CD2 3.94Å; F169-L209 HydrophobicContact CE2-CD2 4.44Å; F169-L209 HydrophobicContact CG-CD2 3.92Å; F169-L209 HydrophobicContact CZ-CD2 4.26Å; F169-L212 HydrophobicContact CB-CD1 4.05Å; F169-M312 HydrophobicContact CB-SD 3.91Å; F169-M312 HydrophobicContact CD1-CG 3.99Å; F169-M312 HydrophobicContact CD1-SD 3.96Å; F169-M312 HydrophobicContact CG-SD 4.35Å; F169-C313 CarbonylContact C-O 3.49Å; F169-C313 WeakPolarHBondContact CA-O 3.37Å
170R94.9Very high91.5Very high45 Ų4552.8 Ų52.817%0.1728%0.284CS..EExtended strand (participates in β ladder)trans-143.8132.7171.2176.7171.6-176156.20.4109.8D154 W157 Y193 C313D154-R170 IonicContact OD1-NH1 3.97Å; D154-R170 PolarHBondContact OD1-NH1 3.41Å; D154-R170 IonicContact OD2-NH1 2.81Å; D154-R170 PolarHBondContact OD2-NH1 3.43Å; W157-R170 HydrophobicContact CD2-CB 3.61Å; W157-R170 HydrophobicContact CD2-CG 4.45Å; W157-R170 HydrophobicContact CE3-CB 3.44Å; W157-R170 VanDerWaalsContact CE3-CB 3.44Å; W157-R170 HydrophobicContact CG-CB 4.26Å; W157-R170 HydrophobicContact CH2-CB 3.91Å; W157-R170 HydrophobicContact CZ2-CB 4.11Å; W157-R170 HydrophobicContact CZ3-CB 3.59Å; R170-Y193 VanDerWaalsContact NE-CE1 3.33Å; R170-C313 PolarHBondContact N-O 2.98Å; R170-C313 PolarHBondContact O-N 2.7Å
171A96.2Very high91.7Very high21 Ų2153.3 Ų53.317%0.17429%0.288CS..EExtended strand (participates in β ladder)trans-86.8125.4169.700000110.3L216 M229 Y311 M312A171-L216 HydrophobicContact CB-CD1 3.69Å; A171-L216 HydrophobicContact CB-CG 4.44Å; A171-M229 HydrophobicContact CB-CE 3.81Å; A171-Y311 CarbonylContact C-O 3.56Å; A171-Y311 WeakPolarHBondContact CA-O 3.3Å; A171-M312 HydrophobicContact CB-CE 3.92Å
172G96Very high92Very high0 Ų049.8 Ų49.80%026%0.264CS..EExtended strand (participates in β ladder)trans-89153.8164.800000110.9A310 Y311G172-A310 CarbonylContact O-C 3.55Å; G172-A310 WeakPolarHBondContact O-CA 3.48Å; G172-A310 WeakPolarHBondContact O-CB 3.36Å; G172-Y311 PolarHBondContact N-O 3.3Å; G172-Y311 WeakPolarHBondContact O-CD1 3.42Å; G172-Y311 PolarHBondContact O-N 3.19Å
173I95.5Very high92.3Very high57 Ų5752.9 Ų52.929%0.29228%0.279SS..EExtended strand (participates in β ladder)trans-120.8141.4-176.8-50.7176.9000109.2L216 A221 T222 Q309I173-L216 HydrophobicContact CD1-CD2 3.87Å; I173-L216 HydrophobicContact CG1-CD2 4.29Å; I173-A221 HydrophobicContact CD1-CB 3.46Å; I173-A221 VanDerWaalsContact CD1-CB 3.46Å; I173-T222 HydrophobicContact CG2-CG2 4.4Å; I173-Q309 CarbonylContact C-O 3.55Å; I173-Q309 WeakPolarHBondContact CA-O 3.22Å
174A92.2Very high92.9Very high5 Ų544.7 Ų44.74%0.04124%0.244CC..PPolyproline II helixtrans-69.2152.1174.100000112E178 I180 Y223 Q309A174-E178 HydrophobicContact CB-CB 4.13Å; A174-E178 HydrophobicContact CB-CG 4.36Å; A174-I180 HydrophobicContact CB-CD1 3.51Å; A174-I180 HydrophobicContact CB-CG1 3.66Å; A174-Y223 WeakPolarHBondContact O-CE2 3.49Å; A174-Q309 HydrophobicContact CB-CB 4.46Å; A174-Q309 PolarHBondContact N-O 2.75Å
175G88.1Confident93.5Very high30 Ų3040.9 Ų40.931%0.30922%0.217SC..PPolyproline II helixtrans-66.4173.1168.600000113.1N177 E178G175-N177 PolarHBondContact O-N 3.32Å; G175-E178 PolarHBondContact N-OE2 2.94Å; G175-E178 VanDerWaalsContact O-CB 3.29Å; G175-E178 WeakPolarHBondContact O-CB 3.43Å; G175-E178 PolarHBondContact O-N 2.91Å
176Y84.6Confident93.9Very high164 Ų16441 Ų4164%0.64321%0.209SC*.THydrogen-bonded Turntrans-58.3126.4179.3-178.7-110000111.8E178 Y223Y176-E178 PolarHBondContact O-N 3.36Å; Y176-Y223 AromaticContact CD2-CD1 3.63Å; Y176-Y223 HydrophobicContact CD2-CD1 3.63Å; Y176-Y223 AromaticContact CD2-CE1 3.59Å; Y176-Y223 HydrophobicContact CD2-CE1 3.59Å; Y176-Y223 HydrophobicContact CD2-CG 4.13Å; Y176-Y223 HydrophobicContact CE2-CD1 4.32Å; Y176-Y223 HydrophobicContact CG-CE1 4.3Å; Y176-Y223 PolarHBondContact N-OH 3.48Å
177N82Confident94.1Very high120 Ų12045.1 Ų45.164%0.64223%0.227SC*.THydrogen-bonded Turntrans5711.5-174.7-63.5-25.7000115.3G175G175-N177 PolarHBondContact O-N 3.32Å
178E89.8Confident94.2Very high61 Ų6146.5 Ų46.529%0.28523%0.232SC..  trans-80.8141.6174.1-176.4175.2-141.800110.1A174 G175 Y176 R188A174-E178 HydrophobicContact CB-CB 4.13Å; A174-E178 HydrophobicContact CB-CG 4.36Å; G175-E178 PolarHBondContact N-OE2 2.94Å; G175-E178 VanDerWaalsContact O-CB 3.29Å; G175-E178 WeakPolarHBondContact O-CB 3.43Å; G175-E178 PolarHBondContact O-N 2.91Å; Y176-E178 PolarHBondContact O-N 3.36Å; E178-R188 IonicContact OE1-CZ 3.36Å; E178-R188 IonicContact OE1-NH1 2.78Å; E178-R188 IonicContact OE1-NH2 3.03Å; E178-R188 PolarHBondContact OE1-NH2 3.4Å; E178-R188 IonicContact OE2-CZ 2.94Å; E178-R188 IonicContact OE2-NH1 3.22Å; E178-R188 PolarHBondContact OE2-NH1 3.19Å; E178-R188 IonicContact OE2-NH2 3.27Å; E178-R188 PolarHBondContact OE2-NH2 2.74Å
179Q90.9Very high94.3Very high87 Ų8746.5 Ų46.541%0.40723%0.232SC..  trans-116.7130.3167.5-61.3-166.629.100108.6T302Q179-T302 HydrophobicContact CB-CG2 3.67Å; Q179-T302 PolarHBondContact OE1-O 3.28Å
180I94.8Very high94.4Very high0 Ų054 Ų540%027%0.265CS..  trans-90.2133.9-177.6-64179.6000107.6A174 T184 A185 R230 A308 Y311A174-I180 HydrophobicContact CB-CD1 3.51Å; A174-I180 HydrophobicContact CB-CG1 3.66Å; I180-T184 HydrophobicContact CG2-CG2 4.25Å; I180-A185 HydrophobicContact CG2-CB 3.8Å; I180-R230 PolarHBondContact O-NE 3.36Å; I180-R230 PolarHBondContact O-NH2 3.49Å; I180-A308 PolarHBondContact N-O 3.27Å; I180-A308 WeakPolarHBondContact O-CB 3.24Å; I180-Y311 HydrophobicContact CD1-CD1 3.22Å; I180-Y311 HydrophobicContact CD1-CE1 3.52Å; I180-Y311 HydrophobicContact CD1-CG 4.3Å; I180-Y311 HydrophobicContact CG2-CD1 4.44Å
181S96.8Very high94.5Very high20 Ų2055.9 Ų55.914%0.1429%0.285CS..  trans-89.2169.7165.772.50000111E183 T184 A185 R230S181-E183 VanDerWaalsContact C-N 3.32Å; S181-E183 PolarHBondContact O-N 3.13Å; S181-E183 PolarHBondContact OG-N 3.15Å; S181-T184 PolarHBondContact O-N 3.2Å; S181-T184 PolarHBondContact OG-N 3.04Å; S181-T184 VanDerWaalsContact OG-N 3.11Å; S181-T184 PolarHBondContact OG-OG1 2.98Å; S181-T184 VanDerWaalsContact OG-OG1 3.09Å; S181-A185 PolarHBondContact O-N 3.49Å; S181-R230 VanDerWaalsContact C-CD 3.44Å; S181-R230 WeakPolarHBondContact O-CD 3.42Å
182Y97.5Very high94.4Very high14 Ų1459.4 Ų59.46%0.05530%0.298CS..Hα-helixtrans-56.3-48.9173.3-177.5-84.9000110.5T184 A185 V186 F197 D232 K234 I257 C282 C300Y182-T184 VanDerWaalsContact C-N 3.35Å; Y182-T184 PolarHBondContact O-N 2.8Å; Y182-A185 WeakPolarHBondContact O-CB 3.44Å; Y182-A185 PolarHBondContact O-N 2.88Å; Y182-V186 HydrophobicContact CD1-CG2 4.13Å; Y182-V186 HydrophobicContact CE1-CG2 3.89Å; Y182-V186 VanDerWaalsContact O-CG2 3.31Å; Y182-V186 WeakPolarHBondContact O-CG2 3.49Å; Y182-V186 PolarHBondContact O-N 3.18Å; Y182-V186 VanDerWaalsContact O-N 3.09Å; Y182-F197 AromaticContact CD2-CE1 3.77Å; Y182-F197 HydrophobicContact CD2-CE1 3.77Å; Y182-F197 HydrophobicContact CD2-CZ 4.42Å; Y182-F197 HydrophobicContact CE2-CD1 4.14Å; Y182-F197 AromaticContact CE2-CE1 3.45Å; Y182-F197 HydrophobicContact CE2-CE1 3.45Å; Y182-F197 VanDerWaalsContact CE2-CE1 3.45Å; Y182-F197 HydrophobicContact CE2-CZ 4.43Å; Y182-F197 AromaticContact CZ-CE1 3.91Å; Y182-D232 PolarHBondContact OH-OD1 2.79Å; Y182-K234 HydrophobicContact CD1-CD 4.35Å; Y182-K234 HydrophobicContact CE1-CB 4.44Å; Y182-K234 HydrophobicContact CE1-CD 4.25Å; Y182-K234 HydrophobicContact CE2-CB 4.1Å; Y182-I257 HydrophobicContact CE1-CD1 3.85Å; Y182-I257 WeakPolarHBondContact OH-CD1 3.38Å; Y182-C282 HydrophobicContact CD2-CB 4.15Å; Y182-C282 WeakPolarHBondContact CD2-SG 3.29Å; Y182-C300 WeakPolarHBondContact CB-O 3.44Å; Y182-C300 PolarHBondContact N-O 2.94Å
183E97.6Very high94.4Very high89 Ų8961.4 Ų61.442%0.41631%0.306SS..Hα-helixtrans-63.3-38.4-179.4-65.572.5-15900112.4S181 V186 E187 K234S181-E183 VanDerWaalsContact C-N 3.32Å; S181-E183 PolarHBondContact O-N 3.13Å; S181-E183 PolarHBondContact OG-N 3.15Å; E183-V186 WeakPolarHBondContact O-CB 3.2Å; E183-V186 PolarHBondContact O-N 3.47Å; E183-E187 PolarHBondContact O-N 3.3Å; E183-E187 VanDerWaalsContact O-N 3.09Å; E183-K234 IonicContact OE1-NZ 3.54Å; E183-K234 PolarHBondContact OE1-NZ 2.98Å
184T97.3Very high94.4Very high43 Ų4364.1 Ų64.126%0.26432%0.321SS..Hα-helixtrans-66.3-40.6174.7-59.40000111.9I180 S181 Y182 V186 E187 R188I180-T184 HydrophobicContact CG2-CG2 4.25Å; S181-T184 PolarHBondContact O-N 3.2Å; S181-T184 PolarHBondContact OG-N 3.04Å; S181-T184 VanDerWaalsContact OG-N 3.11Å; S181-T184 PolarHBondContact OG-OG1 2.98Å; S181-T184 VanDerWaalsContact OG-OG1 3.09Å; Y182-T184 VanDerWaalsContact C-N 3.35Å; Y182-T184 PolarHBondContact O-N 2.8Å; T184-V186 VanDerWaalsContact C-N 3.28Å; T184-V186 PolarHBondContact O-N 2.83Å; T184-E187 PolarHBondContact O-N 2.89Å; T184-R188 HydrophobicContact CG2-CG 4.29Å; T184-R188 WeakPolarHBondContact O-CB 2.9Å; T184-R188 WeakPolarHBondContact O-CG 3.5Å; T184-R188 PolarHBondContact O-N 2.79Å
185A98Very high94.6Very high0 Ų064.3 Ų64.30%032%0.323CS..Hα-helixtrans-60-41.1176.200000111.7I180 S181 Y182 R188 C189 F197 R230 Y311I180-A185 HydrophobicContact CG2-CB 3.8Å; S181-A185 PolarHBondContact O-N 3.49Å; Y182-A185 WeakPolarHBondContact O-CB 3.44Å; Y182-A185 PolarHBondContact O-N 2.88Å; A185-R188 PolarHBondContact O-N 2.87Å; A185-C189 PolarHBondContact O-N 2.88Å; A185-C189 PolarHBondContact O-SG 2.79Å; A185-C189 VanDerWaalsContact O-SG 3.36Å; A185-F197 HydrophobicContact CB-CD2 3.89Å; A185-F197 HydrophobicContact CB-CE2 3.56Å; A185-F197 HydrophobicContact CB-CZ 3.97Å; A185-R230 HydrophobicContact CB-CB 4.31Å; A185-Y311 HydrophobicContact CB-CD2 4.25Å; A185-Y311 HydrophobicContact CB-CG 4.09Å
186V98.5Very high95Very high42 Ų4265.6 Ų65.626%0.25533%0.325SS..Hα-helixtrans-60.5-50.1175.9175.40000111.7Y182 E183 T184 R188 K190 F197 I257Y182-V186 HydrophobicContact CD1-CG2 4.13Å; Y182-V186 HydrophobicContact CE1-CG2 3.89Å; Y182-V186 VanDerWaalsContact O-CG2 3.31Å; Y182-V186 WeakPolarHBondContact O-CG2 3.49Å; Y182-V186 PolarHBondContact O-N 3.18Å; Y182-V186 VanDerWaalsContact O-N 3.09Å; E183-V186 WeakPolarHBondContact O-CB 3.2Å; E183-V186 PolarHBondContact O-N 3.47Å; T184-V186 VanDerWaalsContact C-N 3.28Å; T184-V186 PolarHBondContact O-N 2.83Å; V186-R188 VanDerWaalsContact C-N 3.34Å; V186-R188 PolarHBondContact O-N 3.03Å; V186-K190 PolarHBondContact O-N 2.96Å; V186-F197 HydrophobicContact CB-CB 4.46Å; V186-F197 HydrophobicContact CG2-CB 3.97Å; V186-F197 HydrophobicContact CG2-CD1 3.71Å; V186-F197 HydrophobicContact CG2-CE1 4.45Å; V186-F197 HydrophobicContact CG2-CG 3.99Å; V186-I257 HydrophobicContact CB-CD1 4.08Å; V186-I257 HydrophobicContact CG1-CD1 3.73Å; V186-I257 HydrophobicContact CG2-CD1 3.13Å
187E98.2Very high95.7Very high132 Ų13257.9 Ų57.962%0.61730%0.295SS*.Hα-helixtrans-60.6-45179.2-175.7177.2-178.200111.4E183 T184 K190 S191E183-E187 PolarHBondContact O-N 3.3Å; E183-E187 VanDerWaalsContact O-N 3.09Å; T184-E187 PolarHBondContact O-N 2.89Å; E187-K190 WeakPolarHBondContact O-CB 3.46Å; E187-K190 PolarHBondContact O-N 2.84Å; E187-S191 WeakPolarHBondContact O-CB 3.46Å; E187-S191 PolarHBondContact O-N 3.26Å; E187-S191 PolarHBondContact O-OG 2.91Å; E187-S191 VanDerWaalsContact O-OG 3.06Å
188R97.7Very high96.5Very high46 Ų4652.2 Ų52.217%0.17426%0.264CS..Hα-helixtrans-66.9-41.9-177.9-74.2-169.4164.31704.3113.7E178 T184 A185 V186 K190 S191 E192 Y311E178-R188 IonicContact OE1-CZ 3.36Å; E178-R188 IonicContact OE1-NH1 2.78Å; E178-R188 IonicContact OE1-NH2 3.03Å; E178-R188 PolarHBondContact OE1-NH2 3.4Å; E178-R188 IonicContact OE2-CZ 2.94Å; E178-R188 IonicContact OE2-NH1 3.22Å; E178-R188 PolarHBondContact OE2-NH1 3.19Å; E178-R188 IonicContact OE2-NH2 3.27Å; E178-R188 PolarHBondContact OE2-NH2 2.74Å; T184-R188 HydrophobicContact CG2-CG 4.29Å; T184-R188 WeakPolarHBondContact O-CB 2.9Å; T184-R188 WeakPolarHBondContact O-CG 3.5Å; T184-R188 PolarHBondContact O-N 2.79Å; A185-R188 PolarHBondContact O-N 2.87Å; V186-R188 VanDerWaalsContact C-N 3.34Å; V186-R188 PolarHBondContact O-N 3.03Å; R188-K190 PolarHBondContact O-N 3.06Å; R188-S191 PolarHBondContact O-N 3.19Å; R188-E192 HydrophobicContact CB-CG 4.37Å; R188-E192 WeakPolarHBondContact CD-OE1 3.43Å; R188-E192 VanDerWaalsContact CG-OE1 3.26Å; R188-E192 WeakPolarHBondContact CG-OE1 3.45Å; R188-E192 IonicContact NE-OE1 3.07Å; R188-E192 PolarHBondContact NE-OE1 3.49Å; R188-E192 VanDerWaalsContact O-CB 3.28Å; R188-E192 WeakPolarHBondContact O-CB 3.45Å; R188-E192 PolarHBondContact O-N 3.33Å; R188-Y311 HydrophobicContact CB-CD2 4.44Å; R188-Y311 HydrophobicContact CB-CE1 4.49Å; R188-Y311 HydrophobicContact CB-CE2 3.55Å; R188-Y311 WeakPolarHBondContact CB-OH 3.39Å
189C98.2Very high96.8Very high0 Ų049.3 Ų49.30%025%0.25CS..Hα-helixtrans-55.2-39.8174.3-70.70000111.7A185 Y193 N194 A195 F197 C313A185-C189 PolarHBondContact O-N 2.88Å; A185-C189 PolarHBondContact O-SG 2.79Å; A185-C189 VanDerWaalsContact O-SG 3.36Å; C189-Y193 PolarHBondContact O-N 2.89Å; C189-N194 PolarHBondContact O-N 3.44Å; C189-A195 CarbonylContact C-O 3.48Å; C189-A195 CarbonylContact O-C 3.58Å; C189-A195 WeakPolarHBondContact O-CA 3.38Å; C189-A195 PolarHBondContact O-N 3.49Å; C189-A195 VanDerWaalsContact O-O 3.13Å; C189-F197 HydrophobicContact CB-CB 4.33Å; C189-C313 WeakPolarHBondContact CA-SG 3.31Å; C189-C313 HydrophobicContact CB-CB 3.74Å; C189-C313 WeakPolarHBondContact CB-SG 3.2Å; C189-C313 WeakPolarHBondContact SG-CA 3.37Å; C189-C313 WeakPolarHBondContact SG-CB 3.46Å; C189-C313 CovalentContact SG-SG 2.03Å; C189-C313 PolarHBondContact SG-SG 2.78Å
190K97.6Very high97.1Very high159 Ų15945.1 Ų45.169%0.69123%0.231SC*.Hα-helixtrans-72.3-50.2178-174.3177.9179.6179.20112.4V186 E187 R188 N194 A195V186-K190 PolarHBondContact O-N 2.96Å; E187-K190 WeakPolarHBondContact O-CB 3.46Å; E187-K190 PolarHBondContact O-N 2.84Å; R188-K190 PolarHBondContact O-N 3.06Å; K190-N194 VanDerWaalsContact O-CA 3.3Å; K190-N194 WeakPolarHBondContact O-CA 3.45Å; K190-N194 PolarHBondContact O-N 3.05Å; K190-A195 WeakPolarHBondContact CA-O 3.31Å; K190-A195 PolarHBondContact N-O 2.77Å
191S96.7Very high97.2Very high84 Ų8446.9 Ų46.959%0.58724%0.242SC*.Hα-helixtrans-79.2-35.4-170.662.70000113.7E187 R188E187-S191 WeakPolarHBondContact O-CB 3.46Å; E187-S191 PolarHBondContact O-N 3.26Å; E187-S191 PolarHBondContact O-OG 2.91Å; E187-S191 VanDerWaalsContact O-OG 3.06Å; R188-S191 PolarHBondContact O-N 3.19Å
192E95.2Very high97.1Very high95 Ų9548.8 Ų48.844%0.44425%0.25SS..Hα-helixtrans-89.8-33.3-176.1-59.2-176.8-164.600112.1R188 Y311R188-E192 HydrophobicContact CB-CG 4.37Å; R188-E192 WeakPolarHBondContact CD-OE1 3.43Å; R188-E192 VanDerWaalsContact CG-OE1 3.26Å; R188-E192 WeakPolarHBondContact CG-OE1 3.45Å; R188-E192 IonicContact NE-OE1 3.07Å; R188-E192 PolarHBondContact NE-OE1 3.49Å; R188-E192 VanDerWaalsContact O-CB 3.28Å; R188-E192 WeakPolarHBondContact O-CB 3.45Å; R188-E192 PolarHBondContact O-N 3.33Å; E192-Y311 PolarHBondContact OE2-OH 2.83Å
193Y94.8Very high97.1Very high41 Ų4153.8 Ų53.816%0.16127%0.274CS..Hα-helixtrans-123.4-2.1-168.7-56.8-49.4000114.7W157 R170 C189 A195 Y311 C313 R315W157-Y193 HydrophobicContact CZ2-CG 4.34Å; R170-Y193 VanDerWaalsContact NE-CE1 3.33Å; C189-Y193 PolarHBondContact O-N 2.89Å; Y193-A195 PolarHBondContact O-N 2.99Å; Y193-Y311 HydrophobicContact CE2-CE2 4.05Å; Y193-C313 HydrophobicContact CD2-CB 4.13Å; Y193-R315 PolarHBondContact O-NH1 3.31Å
194N95.4Very high97Very high114 Ų11456 Ų5661%0.6129%0.285SS*.SBendtrans46.749.6-170.1-170.735.9000111.1C189 K190C189-N194 PolarHBondContact O-N 3.44Å; K190-N194 VanDerWaalsContact O-CA 3.3Å; K190-N194 WeakPolarHBondContact O-CA 3.45Å; K190-N194 PolarHBondContact O-N 3.05Å
195A96.9Very high96.9Very high10 Ų1054.1 Ų54.18%0.08327%0.273CS..  trans-135.6170.7-170.500000111.1W157 C189 K190 Y193 C313 G314 R315W157-A195 HydrophobicContact CH2-CB 3.73Å; W157-A195 HydrophobicContact CZ3-CB 4.48Å; C189-A195 CarbonylContact C-O 3.48Å; C189-A195 CarbonylContact O-C 3.58Å; C189-A195 WeakPolarHBondContact O-CA 3.38Å; C189-A195 PolarHBondContact O-N 3.49Å; C189-A195 VanDerWaalsContact O-O 3.13Å; K190-A195 WeakPolarHBondContact CA-O 3.31Å; K190-A195 PolarHBondContact N-O 2.77Å; Y193-A195 PolarHBondContact O-N 2.99Å; A195-C313 HydrophobicContact CB-CB 4.16Å; A195-G314 WeakPolarHBondContact CB-O 3.42Å; A195-R315 HydrophobicContact CB-CB 4.12Å
196T97.4Very high96.9Very high57 Ų5754.1 Ų54.135%0.3527%0.273SS..EExtended strand (participates in β ladder)trans-104135.9179.4-54.40000109.4S198 I257 N258 C313 G314T196-S198 PolarHBondContact O-N 3.03Å; T196-S198 PolarHBondContact O-OG 2.85Å; T196-I257 HydrophobicContact CG2-CG2 3.84Å; T196-N258 HydrophobicContact CG2-CB 3.98Å; T196-C313 CarbonylContact O-C 3.52Å; T196-G314 PolarHBondContact N-O 3.4Å; T196-G314 PolarHBondContact O-N 2.7Å
197F98.4Very high96.8Very high2 Ų256.6 Ų56.61%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-60127.3170-175.6-120.5000110Y182 A185 V186 C189 R230 V231 D232 I257 M312Y182-F197 AromaticContact CD2-CE1 3.77Å; Y182-F197 HydrophobicContact CD2-CE1 3.77Å; Y182-F197 HydrophobicContact CD2-CZ 4.42Å; Y182-F197 HydrophobicContact CE2-CD1 4.14Å; Y182-F197 AromaticContact CE2-CE1 3.45Å; Y182-F197 HydrophobicContact CE2-CE1 3.45Å; Y182-F197 VanDerWaalsContact CE2-CE1 3.45Å; Y182-F197 HydrophobicContact CE2-CZ 4.43Å; Y182-F197 AromaticContact CZ-CE1 3.91Å; A185-F197 HydrophobicContact CB-CD2 3.89Å; A185-F197 HydrophobicContact CB-CE2 3.56Å; A185-F197 HydrophobicContact CB-CZ 3.97Å; V186-F197 HydrophobicContact CB-CB 4.46Å; V186-F197 HydrophobicContact CG2-CB 3.97Å; V186-F197 HydrophobicContact CG2-CD1 3.71Å; V186-F197 HydrophobicContact CG2-CE1 4.45Å; V186-F197 HydrophobicContact CG2-CG 3.99Å; C189-F197 HydrophobicContact CB-CB 4.33Å; F197-R230 HydrophobicContact CE2-CB 4.05Å; F197-R230 WeakPolarHBondContact CE2-O 3.35Å; F197-R230 HydrophobicContact CZ-CB 3.74Å; F197-V231 WeakPolarHBondContact CE1-O 3.34Å; F197-V231 VanDerWaalsContact CZ-CA 3.49Å; F197-V231 WeakPolarHBondContact CZ-O 3.44Å; F197-D232 HydrophobicContact CD1-CB 3.9Å; F197-D232 VanDerWaalsContact CE1-CA 3.49Å; F197-D232 HydrophobicContact CE1-CB 4.13Å; F197-I257 HydrophobicContact CD1-CD1 4.4Å; F197-M312 WeakPolarHBondContact CD2-O 3.41Å
198S98.1Very high96.7Very high0 Ų052 Ų520%026%0.264CS..  trans-137152.2-161.1-68.10000113.4Y167 T196 D232 N258 M312 G314Y167-S198 PolarHBondContact OH-OG 3.45Å; T196-S198 PolarHBondContact O-N 3.03Å; T196-S198 PolarHBondContact O-OG 2.85Å; S198-D232 VanDerWaalsContact C-CB 3.49Å; S198-D232 PolarHBondContact O-N 3.09Å; S198-N258 PolarHBondContact OG-ND2 3.23Å; S198-M312 PolarHBondContact N-O 3.42Å; S198-G314 PolarHBondContact OG-N 3.18Å
199G97.4Very high96.7Very high0 Ų049.8 Ų49.80%026%0.256CS..  trans-124.4-177.4163.700000110.7S261G199-S261 WeakPolarHBondContact CA-OG 3.33Å; G199-S261 PolarHBondContact N-OG 3.33Å; G199-S261 PolarHBondContact O-OG 3.29Å
200P97.3Very high96.7Very high0 Ų050.3 Ų50.30%026%0.258CS..  trans-75.1154.1-176.234.9-37.2000111.3N202 E205 G206 L209 S261 T262 Y265P200-N202 WeakPolarHBondContact CB-O 3.17Å; P200-E205 HydrophobicContact CB-CB 3.59Å; P200-G206 VanDerWaalsContact CB-N 3.33Å; P200-L209 HydrophobicContact CB-CD1 4.43Å; P200-S261 CarbonylContact O-C 3.58Å; P200-S261 WeakPolarHBondContact O-CA 3.46Å; P200-T262 PolarHBondContact O-N 2.65Å; P200-T262 PolarHBondContact O-OG1 2.78Å; P200-Y265 WeakPolarHBondContact CD-OH 3.22Å; P200-Y265 HydrophobicContact CG-CD1 4.21Å; P200-Y265 HydrophobicContact CG-CD2 4.22Å; P200-Y265 HydrophobicContact CG-CE1 3.79Å; P200-Y265 HydrophobicContact CG-CE2 3.78Å; P200-Y265 HydrophobicContact CG-CG 4.42Å
201V96.2Very high96.5Very high37 Ų3748 Ų4822%0.22425%0.246CC..SBendtrans-87.7-30.6168.571.30000112.2E205 M260 T262V201-E205 HydrophobicContact CG1-CG 4.35Å; V201-E205 WeakPolarHBondContact CG1-OE2 3.05Å; V201-E205 PolarHBondContact N-OE2 3.47Å; V201-M260 HydrophobicContact CG2-CE 4.27Å; V201-M260 WeakPolarHBondContact CG2-O 3.4Å; V201-T262 WeakPolarHBondContact O-CG2 3Å; V201-T262 PolarHBondContact O-OG1 2.85Å; V201-T262 VanDerWaalsContact O-OG1 3.05Å
202N95.7Very high96.5Very high60 Ų6044.9 Ų44.932%0.32122%0.222SC..SBendtrans-144.9176.7-176.158.218000111.2P200 E204 E205 G206 A264P200-N202 WeakPolarHBondContact CB-O 3.17Å; N202-E204 VanDerWaalsContact C-N 3.3Å; N202-E204 WeakPolarHBondContact CB-OE2 3.5Å; N202-E204 PolarHBondContact ND2-OE2 3.15Å; N202-E204 PolarHBondContact O-N 3.04Å; N202-E204 PolarHBondContact OD1-N 3.43Å; N202-E204 PolarHBondContact OD1-OE2 3.06Å; N202-E205 PolarHBondContact O-N 3.22Å; N202-E205 WeakPolarHBondContact OD1-CB 3.45Å; N202-E205 WeakPolarHBondContact OD1-CG 3.45Å; N202-E205 PolarHBondContact OD1-N 3.41Å; N202-G206 PolarHBondContact O-N 2.79Å; N202-A264 CarbonylContact C-O 3.4Å
203E96.1Very high96.5Very high118 Ų11840.3 Ų40.355%0.55120%0.201SC*.Hα-helixtrans-65-33-178.6-69.3-173.9177.500112.6E205 G206 D207 A264E203-E205 PolarHBondContact O-N 3.25Å; E203-G206 CarbonylContact O-C 3.6Å; E203-G206 WeakPolarHBondContact O-CA 3.32Å; E203-G206 PolarHBondContact O-N 3.43Å; E203-D207 PolarHBondContact O-N 3.01Å; E203-A264 WeakPolarHBondContact CA-O 3.48Å; E203-A264 HydrophobicContact CG-CB 4.39Å
204E95.2Very high96.6Very high136 Ų13639.5 Ų39.564%0.63620%0.199SC*.Hα-helixtrans-61.8-43.4176.5-64.283.8-178.800111.9N202 G206 D207 L208N202-E204 VanDerWaalsContact C-N 3.3Å; N202-E204 WeakPolarHBondContact CB-OE2 3.5Å; N202-E204 PolarHBondContact ND2-OE2 3.15Å; N202-E204 PolarHBondContact O-N 3.04Å; N202-E204 PolarHBondContact OD1-N 3.43Å; N202-E204 PolarHBondContact OD1-OE2 3.06Å; E204-G206 VanDerWaalsContact C-N 3.32Å; E204-D207 PolarHBondContact O-N 2.86Å; E204-L208 PolarHBondContact O-N 3.29Å
205E96.3Very high96.5Very high4 Ų438.1 Ų38.12%0.01919%0.185CC..Hα-helixtrans-68.5-33.2171.4-75.1-166.916300111.8S160 R162 F169 P200 V201 N202 E203 D207 L208 L209S160-E205 WeakPolarHBondContact CB-OE1 3.49Å; S160-E205 WeakPolarHBondContact OG-CG 3.17Å; S160-E205 PolarHBondContact OG-OE1 2.94Å; R162-E205 IonicContact CZ-OE1 3.19Å; R162-E205 IonicContact CZ-OE2 2.77Å; R162-E205 IonicContact NE-OE1 3.9Å; R162-E205 PolarHBondContact NE-OE1 2.85Å; R162-E205 IonicContact NE-OE2 3.48Å; R162-E205 VanDerWaalsContact NH2-CD 3.33Å; R162-E205 IonicContact NH2-OE1 2.73Å; R162-E205 PolarHBondContact NH2-OE1 2.99Å; R162-E205 VanDerWaalsContact NH2-OE1 3.11Å; R162-E205 IonicContact NH2-OE2 3.4Å; R162-E205 PolarHBondContact NH2-OE2 3.49Å; F169-E205 VanDerWaalsContact CE2-CD 3.5Å; F169-E205 HydrophobicContact CE2-CG 4.09Å; F169-E205 WeakPolarHBondContact CE2-OE1 3.28Å; F169-E205 HydrophobicContact CZ-CG 4.48Å; F169-E205 WeakPolarHBondContact CZ-OE2 3.49Å; P200-E205 HydrophobicContact CB-CB 3.59Å; V201-E205 HydrophobicContact CG1-CG 4.35Å; V201-E205 WeakPolarHBondContact CG1-OE2 3.05Å; V201-E205 PolarHBondContact N-OE2 3.47Å; N202-E205 PolarHBondContact O-N 3.22Å; N202-E205 WeakPolarHBondContact OD1-CB 3.45Å; N202-E205 WeakPolarHBondContact OD1-CG 3.45Å; N202-E205 PolarHBondContact OD1-N 3.41Å; E203-E205 PolarHBondContact O-N 3.25Å; E205-D207 VanDerWaalsContact C-N 3.32Å; E205-D207 PolarHBondContact O-N 3.32Å; E205-L208 WeakPolarHBondContact O-CB 3.05Å; E205-L208 PolarHBondContact O-N 3.2Å; E205-L208 VanDerWaalsContact O-N 3.15Å; E205-L209 VanDerWaalsContact O-CG 3.31Å; E205-L209 WeakPolarHBondContact O-CG 3.39Å; E205-L209 PolarHBondContact O-N 2.7Å
206G97.6Very high96.3Very high0 Ų038.8 Ų38.80%019%0.187CC..Hα-helixtrans-57-45.8173.100000112P200 N202 E203 E204 L209 F210P200-G206 VanDerWaalsContact CB-N 3.33Å; N202-G206 PolarHBondContact O-N 2.79Å; E203-G206 CarbonylContact O-C 3.6Å; E203-G206 WeakPolarHBondContact O-CA 3.32Å; E203-G206 PolarHBondContact O-N 3.43Å; E204-G206 VanDerWaalsContact C-N 3.32Å; G206-L209 PolarHBondContact O-N 3.02Å; G206-F210 WeakPolarHBondContact O-CG 3.46Å; G206-F210 PolarHBondContact O-N 2.84Å; G206-F210 VanDerWaalsContact O-N 3.09Å
207D96.8Very high96.1Very high93 Ų9337.7 Ų37.750%0.49718%0.178SC..Hα-helixtrans-64.3-39.5173.1-89.3-28.5000112.2E203 E204 E205 L209 F210 Y211 P266E203-D207 PolarHBondContact O-N 3.01Å; E204-D207 PolarHBondContact O-N 2.86Å; E205-D207 VanDerWaalsContact C-N 3.32Å; E205-D207 PolarHBondContact O-N 3.32Å; D207-L209 VanDerWaalsContact C-N 3.34Å; D207-L209 PolarHBondContact O-N 2.91Å; D207-F210 PolarHBondContact O-N 3.09Å; D207-Y211 PolarHBondContact O-N 3.44Å; D207-P266 HydrophobicContact CB-CG 4.34Å; D207-P266 VanDerWaalsContact CG-CG 3.49Å; D207-P266 WeakPolarHBondContact OD1-CG 3.43Å
208L95.6Very high95.8Very high36 Ų3643.3 Ų43.319%0.18820%0.204CC..Hα-helixtrans-58.9-44.9174.3-17861000111.7T158 F169 E204 E205 F210 Y211 L212T158-L208 HydrophobicContact CG2-CD1 3.74Å; T158-L208 HydrophobicContact CG2-CD2 4.25Å; T158-L208 HydrophobicContact CG2-CG 4.41Å; F169-L208 HydrophobicContact CD2-CD2 3.95Å; F169-L208 HydrophobicContact CE2-CD2 4.36Å; E204-L208 PolarHBondContact O-N 3.29Å; E205-L208 WeakPolarHBondContact O-CB 3.05Å; E205-L208 PolarHBondContact O-N 3.2Å; E205-L208 VanDerWaalsContact O-N 3.15Å; L208-F210 VanDerWaalsContact C-N 3.34Å; L208-F210 PolarHBondContact O-N 3.36Å; L208-Y211 HydrophobicContact CD1-CD1 4.45Å; L208-Y211 WeakPolarHBondContact O-CB 3.14Å; L208-Y211 PolarHBondContact O-N 2.03Å; L208-L212 WeakPolarHBondContact O-CG 3.38Å; L208-L212 PolarHBondContact O-N 2.84Å
209L97.5Very high95.5Very high0 Ų047.2 Ų47.20%023%0.225CC..Hα-helixtrans-67.3-36.2178.8-58.6-162.8000111.8F169 P200 E205 G206 D207 L212 A213 V231 Y265 I285 M312F169-L209 HydrophobicContact CB-CD2 4.45Å; F169-L209 HydrophobicContact CD1-CD2 3.76Å; F169-L209 HydrophobicContact CD2-CD2 4.29Å; F169-L209 HydrophobicContact CE1-CD2 3.94Å; F169-L209 HydrophobicContact CE2-CD2 4.44Å; F169-L209 HydrophobicContact CG-CD2 3.92Å; F169-L209 HydrophobicContact CZ-CD2 4.26Å; P200-L209 HydrophobicContact CB-CD1 4.43Å; E205-L209 VanDerWaalsContact O-CG 3.31Å; E205-L209 WeakPolarHBondContact O-CG 3.39Å; E205-L209 PolarHBondContact O-N 2.7Å; G206-L209 PolarHBondContact O-N 3.02Å; D207-L209 VanDerWaalsContact C-N 3.34Å; D207-L209 PolarHBondContact O-N 2.91Å; L209-L212 HydrophobicContact CD2-CD1 4.33Å; L209-L212 PolarHBondContact O-N 2.88Å; L209-A213 PolarHBondContact O-N 2.73Å; L209-V231 HydrophobicContact CD1-CG1 4.21Å; L209-Y265 HydrophobicContact CD1-CE1 4.44Å; L209-I285 HydrophobicContact CB-CD1 3.61Å; L209-M312 HydrophobicContact CD1-CG 4.1Å; L209-M312 HydrophobicContact CD2-CE 3.98Å; L209-M312 HydrophobicContact CD2-CG 3.89Å; L209-M312 HydrophobicContact CD2-SD 3.91Å
210F97.8Very high95.1Very high10 Ų1057.7 Ų57.74%0.04426%0.264CS..Hα-helixtrans-61.9-44.3171.1-68.6-21.1000111.8G206 D207 L208 L212 A213 E214 Y265 P266 K267 I285 A295G206-F210 WeakPolarHBondContact O-CG 3.46Å; G206-F210 PolarHBondContact O-N 2.84Å; G206-F210 VanDerWaalsContact O-N 3.09Å; D207-F210 PolarHBondContact O-N 3.09Å; L208-F210 VanDerWaalsContact C-N 3.34Å; L208-F210 PolarHBondContact O-N 3.36Å; F210-L212 VanDerWaalsContact C-N 3.34Å; F210-L212 PolarHBondContact O-N 3.2Å; F210-A213 PolarHBondContact O-N 2.88Å; F210-E214 VanDerWaalsContact O-CG 3.31Å; F210-E214 WeakPolarHBondContact O-CG 3.42Å; F210-E214 PolarHBondContact O-N 2.95Å; F210-Y265 AromaticContact CE1-CD1 3.77Å; F210-Y265 HydrophobicContact CE1-CD1 3.77Å; F210-Y265 HydrophobicContact CE1-CE1 4.39Å; F210-Y265 AromaticContact CZ-CD1 3.81Å; F210-Y265 HydrophobicContact CZ-CD1 3.81Å; F210-Y265 HydrophobicContact CZ-CG 4.37Å; F210-P266 HydrophobicContact CD2-CG 4.1Å; F210-P266 HydrophobicContact CE2-CG 3.76Å; F210-K267 HydrophobicContact CE2-CB 4.13Å; F210-K267 WeakPolarHBondContact CZ-O 3.21Å; F210-I285 HydrophobicContact CD1-CB 4.49Å; F210-I285 HydrophobicContact CD1-CD1 3.96Å; F210-I285 HydrophobicContact CD1-CG1 4.07Å; F210-I285 HydrophobicContact CD1-CG2 3.67Å; F210-I285 HydrophobicContact CE1-CB 4.5Å; F210-I285 HydrophobicContact CE1-CD1 4.27Å; F210-I285 HydrophobicContact CE1-CG1 3.96Å; F210-I285 HydrophobicContact CE1-CG2 3.98Å; F210-A295 HydrophobicContact CE1-CB 4.26Å; F210-A295 HydrophobicContact CZ-CB 4.09Å
211Y95.3Very high94.7Very high111 Ų11159.6 Ų59.644%0.43528%0.28SS..Hα-helixtrans-58.2-45.7175.4169.3-99.6000111.6D207 L208 A213 E214 R215D207-Y211 PolarHBondContact O-N 3.44Å; L208-Y211 HydrophobicContact CD1-CD1 4.45Å; L208-Y211 WeakPolarHBondContact O-CB 3.14Å; L208-Y211 PolarHBondContact O-N 2.03Å; Y211-A213 PolarHBondContact O-N 3.46Å; Y211-E214 PolarHBondContact O-N 3.22Å; Y211-R215 WeakPolarHBondContact O-CB 3.42Å; Y211-R215 PolarHBondContact O-N 3.48Å
212L95.1Very high94.4Very high18 Ų1858.3 Ų58.39%0.09427%0.273CS..Hα-helixtrans-62.2-41.9177.5-67.3174.1000112.1T158 F169 L208 L209 F210 R215 L216 M312T158-L212 WeakPolarHBondContact OG1-CD2 3.41Å; F169-L212 HydrophobicContact CB-CD1 4.05Å; L208-L212 WeakPolarHBondContact O-CG 3.38Å; L208-L212 PolarHBondContact O-N 2.84Å; L209-L212 HydrophobicContact CD2-CD1 4.33Å; L209-L212 PolarHBondContact O-N 2.88Å; F210-L212 VanDerWaalsContact C-N 3.34Å; F210-L212 PolarHBondContact O-N 3.2Å; L212-R215 PolarHBondContact O-N 3.37Å; L212-L216 WeakPolarHBondContact O-CG 3.31Å; L212-L216 PolarHBondContact O-N 3.38Å; L212-L216 VanDerWaalsContact O-N 3.12Å; L212-M312 HydrophobicContact CB-CE 4.04Å; L212-M312 HydrophobicContact CD1-CE 3.76Å; L212-M312 HydrophobicContact CD1-SD 4.21Å
213A96.6Very high94Very high0 Ų061.9 Ų61.90%028%0.283CS..Hα-helixtrans-64.3-43.3175.200000112.4L209 F210 Y211 R215 L216 Q217 Y227 M229 I285L209-A213 PolarHBondContact O-N 2.73Å; F210-A213 PolarHBondContact O-N 2.88Å; Y211-A213 PolarHBondContact O-N 3.46Å; A213-R215 VanDerWaalsContact C-N 3.29Å; A213-R215 PolarHBondContact O-N 3.37Å; A213-L216 PolarHBondContact O-N 3.42Å; A213-Q217 PolarHBondContact O-N 3.43Å; A213-Y227 VanDerWaalsContact C-OH 3.24Å; A213-Y227 VanDerWaalsContact CA-OH 3.26Å; A213-Y227 WeakPolarHBondContact CA-OH 3.43Å; A213-Y227 PolarHBondContact O-OH 3.39Å; A213-M229 HydrophobicContact CB-CE 3.7Å; A213-M229 HydrophobicContact CB-SD 4.06Å; A213-I285 HydrophobicContact CB-CG2 3.9Å
214E95.8Very high93.7Very high24 Ų2458 Ų5811%0.11227%0.268CS..Hα-helixtrans-62.8-39.1175.4-70.2176.1-173.100111.2F210 Y211 L216 Q217 E218 K292 S293F210-E214 VanDerWaalsContact O-CG 3.31Å; F210-E214 WeakPolarHBondContact O-CG 3.42Å; F210-E214 PolarHBondContact O-N 2.95Å; Y211-E214 PolarHBondContact O-N 3.22Å; E214-L216 PolarHBondContact O-N 3.18Å; E214-Q217 VanDerWaalsContact O-CB 3.29Å; E214-Q217 WeakPolarHBondContact O-CB 3.41Å; E214-Q217 PolarHBondContact O-N 3.45Å; E214-Q217 VanDerWaalsContact O-N 3.12Å; E214-E218 WeakPolarHBondContact O-CG 3.44Å; E214-E218 PolarHBondContact O-N 3.09Å; E214-K292 WeakPolarHBondContact OE1-CA 3.35Å; E214-K292 WeakPolarHBondContact OE1-CD 3.42Å; E214-K292 IonicContact OE1-NZ 2.72Å; E214-K292 WeakPolarHBondContact OE2-CD 3.42Å; E214-K292 IonicContact OE2-NZ 3.54Å; E214-K292 PolarHBondContact OE2-NZ 2.88Å; E214-S293 VanDerWaalsContact CG-OG 3.31Å; E214-S293 WeakPolarHBondContact CG-OG 3.29Å; E214-S293 PolarHBondContact OE1-N 2.81Å
215R93Very high93.4Very high85 Ų8555.4 Ų55.432%0.32126%0.262SS..Hα-helixtrans-63.9-42.4179.7-169.768.5-158.1174.6-4.5113.1Y211 L212 A213 Q217 E218 D219Y211-R215 WeakPolarHBondContact O-CB 3.42Å; Y211-R215 PolarHBondContact O-N 3.48Å; L212-R215 PolarHBondContact O-N 3.37Å; A213-R215 VanDerWaalsContact C-N 3.29Å; A213-R215 PolarHBondContact O-N 3.37Å; R215-Q217 PolarHBondContact O-N 2.89Å; R215-E218 IonicContact CZ-OE2 3.33Å; R215-E218 IonicContact NH1-OE2 2.75Å; R215-E218 PolarHBondContact NH1-OE2 2.88Å; R215-E218 VanDerWaalsContact NH1-OE2 3.07Å; R215-E218 PolarHBondContact O-N 3.05Å; R215-D219 WeakPolarHBondContact CG-OD2 3.33Å; R215-D219 IonicContact CZ-OD1 2.65Å; R215-D219 VanDerWaalsContact CZ-OD1 3.22Å; R215-D219 IonicContact CZ-OD2 2.72Å; R215-D219 IonicContact NE-OD1 3.41Å; R215-D219 PolarHBondContact NE-OD1 3.26Å; R215-D219 IonicContact NE-OD2 3.39Å; R215-D219 PolarHBondContact NE-OD2 3.17Å; R215-D219 IonicContact NH2-OD1 3.5Å; R215-D219 PolarHBondContact NH2-OD1 3.2Å; R215-D219 IonicContact NH2-OD2 3.93Å; R215-D219 WeakPolarHBondContact O-CB 3.38Å; R215-D219 PolarHBondContact O-N 3.15Å
216L93.9Very high93.4Very high24 Ų2457.5 Ų57.513%0.12627%0.273CS..Hα-helixtrans-59.7-34.6174.4-65.4176.8000112.5A171 I173 L212 A213 E214 R220 A221 T222 M229 A310A171-L216 HydrophobicContact CB-CD1 3.69Å; A171-L216 HydrophobicContact CB-CG 4.44Å; I173-L216 HydrophobicContact CD1-CD2 3.87Å; I173-L216 HydrophobicContact CG1-CD2 4.29Å; L212-L216 WeakPolarHBondContact O-CG 3.31Å; L212-L216 PolarHBondContact O-N 3.38Å; L212-L216 VanDerWaalsContact O-N 3.12Å; A213-L216 PolarHBondContact O-N 3.42Å; E214-L216 PolarHBondContact O-N 3.18Å; L216-R220 PolarHBondContact O-N 3.41Å; L216-A221 HydrophobicContact CB-CB 4.35Å; L216-A221 HydrophobicContact CD2-CB 3.91Å; L216-A221 PolarHBondContact O-N 3.17Å; L216-T222 HydrophobicContact CB-CG2 4.3Å; L216-M229 HydrophobicContact CD1-CE 3.36Å; L216-M229 HydrophobicContact CG-CE 4.47Å; L216-A310 HydrophobicContact CD1-CB 3.91Å
217Q93.2Very high93.3Very high34 Ų3457.5 Ų57.516%0.15927%0.273CS..Hα-helixtrans-68.2-48.1175.2-170.5-171.662.100111A213 E214 R215 R220 T225 Y227 T287 S289A213-Q217 PolarHBondContact O-N 3.43Å; E214-Q217 VanDerWaalsContact O-CB 3.29Å; E214-Q217 WeakPolarHBondContact O-CB 3.41Å; E214-Q217 PolarHBondContact O-N 3.45Å; E214-Q217 VanDerWaalsContact O-N 3.12Å; R215-Q217 PolarHBondContact O-N 2.89Å; Q217-R220 PolarHBondContact O-N 2.9Å; Q217-R220 VanDerWaalsContact O-N 3.15Å; Q217-T225 PolarHBondContact NE2-O 2.87Å; Q217-Y227 HydrophobicContact CB-CE1 4.17Å; Q217-T287 HydrophobicContact CB-CG2 4.19Å; Q217-T287 HydrophobicContact CG-CG2 4.46Å; Q217-S289 VanDerWaalsContact NE2-CA 3.33Å; Q217-S289 VanDerWaalsContact NE2-N 3.16Å
218E91.6Very high93.3Very high120 Ų12053.1 Ų53.156%0.56125%0.25SC*.Hα-helixtrans-60.5-44.8179.6-72.2-179.417300112.1E214 R215 R220E214-E218 WeakPolarHBondContact O-CG 3.44Å; E214-E218 PolarHBondContact O-N 3.09Å; R215-E218 IonicContact CZ-OE2 3.33Å; R215-E218 IonicContact NH1-OE2 2.75Å; R215-E218 PolarHBondContact NH1-OE2 2.88Å; R215-E218 VanDerWaalsContact NH1-OE2 3.07Å; R215-E218 PolarHBondContact O-N 3.05Å; E218-R220 PolarHBondContact O-N 3.02Å
219D91.3Very high93.4Very high81 Ų8151.4 Ų51.443%0.43324%0.241SC..THydrogen-bonded Turntrans-77.1-1179.9-67.9-26.7000112.6R215 A221R215-D219 WeakPolarHBondContact CG-OD2 3.33Å; R215-D219 IonicContact CZ-OD1 2.65Å; R215-D219 VanDerWaalsContact CZ-OD1 3.22Å; R215-D219 IonicContact CZ-OD2 2.72Å; R215-D219 IonicContact NE-OD1 3.41Å; R215-D219 PolarHBondContact NE-OD1 3.26Å; R215-D219 IonicContact NE-OD2 3.39Å; R215-D219 PolarHBondContact NE-OD2 3.17Å; R215-D219 IonicContact NH2-OD1 3.5Å; R215-D219 PolarHBondContact NH2-OD1 3.2Å; R215-D219 IonicContact NH2-OD2 3.93Å; R215-D219 WeakPolarHBondContact O-CB 3.38Å; R215-D219 PolarHBondContact O-N 3.15Å; D219-A221 PolarHBondContact O-N 2.84Å
220R89.9Confident93.4Very high220 Ų22051.4 Ų51.483%0.8324%0.241SC*.THydrogen-bonded Turntrans52.436.4-175.9-55.3-178.4-179.4-175.6-0.1112.5L216 Q217 E218 T222L216-R220 PolarHBondContact O-N 3.41Å; Q217-R220 PolarHBondContact O-N 2.9Å; Q217-R220 VanDerWaalsContact O-N 3.15Å; E218-R220 PolarHBondContact O-N 3.02Å; R220-T222 VanDerWaalsContact C-N 3.3Å
221A89.2Confident93.5Very high40 Ų4051 Ų5133%0.33124%0.239SC..  trans-74.2-27.9-179.800000110.8I173 L216 D219I173-A221 HydrophobicContact CD1-CB 3.46Å; I173-A221 VanDerWaalsContact CD1-CB 3.46Å; L216-A221 HydrophobicContact CB-CB 4.35Å; L216-A221 HydrophobicContact CD2-CB 3.91Å; L216-A221 PolarHBondContact O-N 3.17Å; D219-A221 PolarHBondContact O-N 2.84Å
222T89.3Confident93.6Very high11 Ų1145.7 Ų45.77%0.06722%0.218CC..SBendtrans-88.8151.9171.657.30000111.9I173 L216 R220 S224 Y227 Q309I173-T222 HydrophobicContact CG2-CG2 4.4Å; L216-T222 HydrophobicContact CB-CG2 4.3Å; R220-T222 VanDerWaalsContact C-N 3.3Å; T222-S224 PolarHBondContact OG1-O 2.87Å; T222-Y227 HydrophobicContact CG2-CD1 4.17Å; T222-Y227 HydrophobicContact CG2-CD2 4.11Å; T222-Y227 HydrophobicContact CG2-CE1 4.04Å; T222-Y227 HydrophobicContact CG2-CE2 4Å; T222-Y227 HydrophobicContact CG2-CG 4.21Å; T222-Q309 HydrophobicContact CG2-CB 4.33Å
223Y87.4Confident93.7Very high135 Ų13544.8 Ų44.853%0.52921%0.213SC..SBendtrans-74.5-27.3178.6-65.3-75.2000113.4A174 Y176A174-Y223 WeakPolarHBondContact O-CE2 3.49Å; Y176-Y223 AromaticContact CD2-CD1 3.63Å; Y176-Y223 HydrophobicContact CD2-CD1 3.63Å; Y176-Y223 AromaticContact CD2-CE1 3.59Å; Y176-Y223 HydrophobicContact CD2-CE1 3.59Å; Y176-Y223 HydrophobicContact CD2-CG 4.13Å; Y176-Y223 HydrophobicContact CE2-CD1 4.32Å; Y176-Y223 HydrophobicContact CG-CE1 4.3Å; Y176-Y223 PolarHBondContact N-OH 3.48Å
224S89Confident93.8Very high35 Ų3547.6 Ų47.625%0.24523%0.226CC..  trans-106.4140.6173.1-173.30000109.6T222 D226T222-S224 PolarHBondContact OG1-O 2.87Å; S224-D226 VanDerWaalsContact C-N 3.28Å; S224-D226 VanDerWaalsContact CB-O 3.31Å; S224-D226 WeakPolarHBondContact CB-O 3.01Å; S224-D226 PolarHBondContact OG-N 3.05Å; S224-D226 PolarHBondContact OG-O 3.22Å
225T90.4Very high93.9Very high83 Ų8346.6 Ų46.651%0.50922%0.221SC..SBendtrans-69.7-32.1168.256.80000110.8Q217Q217-T225 PolarHBondContact NE2-O 2.87Å
226D95.4Very high94.1Very high48 Ų4844.1 Ų44.126%0.25722%0.215SC..SBendtrans-106.8116.5179-63.80.6000108.4S224 T287 S289 L306S224-D226 VanDerWaalsContact C-N 3.28Å; S224-D226 VanDerWaalsContact CB-O 3.31Å; S224-D226 WeakPolarHBondContact CB-O 3.01Å; S224-D226 PolarHBondContact OG-N 3.05Å; S224-D226 PolarHBondContact OG-O 3.22Å; D226-T287 WeakPolarHBondContact CA-O 3.11Å; D226-S289 VanDerWaalsContact OD1-CB 3.29Å; D226-S289 WeakPolarHBondContact OD1-CB 3.36Å; D226-S289 PolarHBondContact OD1-N 3.23Å; D226-L306 HydrophobicContact CB-CD1 4.28Å; D226-L306 HydrophobicContact CB-CD2 3.96Å
227Y96.1Very high94.1Very high0 Ų051.1 Ų51.10%025%0.247CC..EExtended strand (participates in β ladder)trans-153.5172.7-17176.7-83.5000111.7A213 Q217 T222 M229 T287 P307 Q309 A310A213-Y227 VanDerWaalsContact C-OH 3.24Å; A213-Y227 VanDerWaalsContact CA-OH 3.26Å; A213-Y227 WeakPolarHBondContact CA-OH 3.43Å; A213-Y227 PolarHBondContact O-OH 3.39Å; Q217-Y227 HydrophobicContact CB-CE1 4.17Å; T222-Y227 HydrophobicContact CG2-CD1 4.17Å; T222-Y227 HydrophobicContact CG2-CD2 4.11Å; T222-Y227 HydrophobicContact CG2-CE1 4.04Å; T222-Y227 HydrophobicContact CG2-CE2 4Å; T222-Y227 HydrophobicContact CG2-CG 4.21Å; Y227-M229 HydrophobicContact CE2-CB 4.09Å; Y227-T287 HydrophobicContact CD1-CG2 4.38Å; Y227-T287 HydrophobicContact CE1-CG2 3.75Å; Y227-T287 PolarHBondContact N-O 3.41Å; Y227-T287 PolarHBondContact O-N 2.99Å; Y227-P307 WeakPolarHBondContact CA-O 3.5Å; Y227-P307 WeakPolarHBondContact CB-O 3.49Å; Y227-Q309 HydrophobicContact CD2-CB 4.3Å; Y227-A310 HydrophobicContact CD2-CB 4.33Å; Y227-A310 HydrophobicContact CE2-CB 3.79Å
228I96.2Very high94.2Very high0 Ų053.1 Ų53.10%027%0.27CS..EExtended strand (participates in β ladder)trans-115.3133.2172.7-77.7162.6000109.9V284 I285 Q298 T304 L306 P307 A308 Q309 A310I228-V284 HydrophobicContact CG1-CG2 4.44Å; I228-V284 HydrophobicContact CG2-CB 3.51Å; I228-V284 HydrophobicContact CG2-CG1 3.73Å; I228-V284 HydrophobicContact CG2-CG2 3.84Å; I228-I285 WeakPolarHBondContact CA-O 3.26Å; I228-Q298 HydrophobicContact CD1-CG 4.44Å; I228-T304 HydrophobicContact CD1-CG2 4.29Å; I228-L306 HydrophobicContact CD1-CB 3.91Å; I228-L306 HydrophobicContact CG1-CB 3.99Å; I228-P307 PolarHBondContact N-O 2.98Å; I228-A308 HydrophobicContact CG2-CB 4.41Å; I228-A308 CarbonylContact O-C 3.49Å; I228-A308 WeakPolarHBondContact O-CA 3.38Å; I228-Q309 PolarHBondContact O-N 2.93Å; I228-A310 PolarHBondContact O-N 2.51Å
229M97.7Very high94.5Very high0 Ų047.5 Ų47.50%024%0.243CC..EExtended strand (participates in β ladder)trans-99.5126.8165.2179.5-177.7-7100109.7A171 A213 L216 Y227 I285 A310 M312A171-M229 HydrophobicContact CB-CE 3.81Å; A213-M229 HydrophobicContact CB-CE 3.7Å; A213-M229 HydrophobicContact CB-SD 4.06Å; L216-M229 HydrophobicContact CD1-CE 3.36Å; L216-M229 HydrophobicContact CG-CE 4.47Å; Y227-M229 HydrophobicContact CE2-CB 4.09Å; M229-I285 HydrophobicContact CB-CB 4.24Å; M229-I285 PolarHBondContact N-O 3.19Å; M229-I285 PolarHBondContact O-N 2.89Å; M229-I285 HydrophobicContact SD-CD1 4.37Å; M229-A310 CarbonylContact C-O 3.41Å; M229-A310 WeakPolarHBondContact CA-O 3.28Å; M229-A310 HydrophobicContact CB-CB 4.01Å; M229-A310 HydrophobicContact CE-CB 3.83Å; M229-A310 HydrophobicContact CG-CB 3.93Å; M229-M312 HydrophobicContact CE-CE 4.22Å; M229-M312 HydrophobicContact SD-CB 4.41Å; M229-M312 HydrophobicContact SD-CE 3.51Å; M229-M312 VanDerWaalsContact SD-CE 3.51Å
230R98Very high94.6Very high1 Ų146.7 Ų46.70%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-78.3139.6173.9-60.8-157.2-179.7-94.2-8111.2I180 S181 A185 F197 S299 C300 T301 A310 Y311 M312I180-R230 PolarHBondContact O-NE 3.36Å; I180-R230 PolarHBondContact O-NH2 3.49Å; S181-R230 VanDerWaalsContact C-CD 3.44Å; S181-R230 WeakPolarHBondContact O-CD 3.42Å; A185-R230 HydrophobicContact CB-CB 4.31Å; F197-R230 HydrophobicContact CE2-CB 4.05Å; F197-R230 WeakPolarHBondContact CE2-O 3.35Å; F197-R230 HydrophobicContact CZ-CB 3.74Å; R230-S299 PolarHBondContact NH1-O 3.38Å; R230-C300 PolarHBondContact NH1-O 3.1Å; R230-T301 PolarHBondContact NH2-O 3.47Å; R230-A310 PolarHBondContact N-O 3.11Å; R230-Y311 CarbonylContact O-C 3.58Å; R230-Y311 VanDerWaalsContact O-CA 3.31Å; R230-Y311 WeakPolarHBondContact O-CA 3.29Å; R230-M312 PolarHBondContact O-N 2.84Å
231V98.4Very high94.7Very high0 Ų040.9 Ų40.90%023%0.23CC..EExtended strand (participates in β ladder)trans-135.5161.6176.7-660000108.9F197 L209 Y265 I283 I285 M312F197-V231 WeakPolarHBondContact CE1-O 3.34Å; F197-V231 VanDerWaalsContact CZ-CA 3.49Å; F197-V231 WeakPolarHBondContact CZ-O 3.44Å; L209-V231 HydrophobicContact CD1-CG1 4.21Å; V231-Y265 WeakPolarHBondContact CB-OH 3.07Å; V231-Y265 WeakPolarHBondContact CG2-OH 3.35Å; V231-I283 HydrophobicContact CG2-CB 4.12Å; V231-I283 HydrophobicContact CG2-CG2 3.73Å; V231-I283 WeakPolarHBondContact CG2-O 3.33Å; V231-I285 HydrophobicContact CG1-CD1 3.71Å; V231-I285 HydrophobicContact CG1-CG1 3.92Å; V231-M312 HydrophobicContact CG1-CB 3.96Å
232D98.5Very high94.9Very high0 Ų042.2 Ų42.20%024%0.235CC..EExtended strand (participates in β ladder)trans-68.9142.6-179-166.519000112.3Y182 F197 S198 F256 I257 N258Y182-D232 PolarHBondContact OH-OD1 2.79Å; F197-D232 HydrophobicContact CD1-CB 3.9Å; F197-D232 VanDerWaalsContact CE1-CA 3.49Å; F197-D232 HydrophobicContact CE1-CB 4.13Å; S198-D232 VanDerWaalsContact C-CB 3.49Å; S198-D232 PolarHBondContact O-N 3.09Å; D232-F256 HydrophobicContact CB-CD1 4.47Å; D232-F256 WeakPolarHBondContact OD2-CA 3.09Å; D232-F256 WeakPolarHBondContact OD2-CB 3.34Å; D232-I257 VanDerWaalsContact CG-N 3.34Å; D232-I257 PolarHBondContact OD1-N 3.3Å; D232-I257 WeakPolarHBondContact OD2-CA 3.47Å; D232-I257 PolarHBondContact OD2-N 3.38Å; D232-N258 PolarHBondContact OD2-N 2.87Å
233G97.9Very high95.2Very high0 Ų042.5 Ų42.50%024%0.236CC..EExtended strand (participates in β ladder)trans131.2101.4-17400000112.2T255 F256 C282 I283G233-T255 WeakPolarHBondContact CA-O 3.36Å; G233-F256 VanDerWaalsContact CA-CE1 3.49Å; G233-C282 WeakPolarHBondContact O-CA 3.43Å; G233-I283 PolarHBondContact O-N 3.18Å
234K97.8Very high95.5Very high59 Ų5940.7 Ų40.726%0.25724%0.236SC..EExtended strand (participates in β ladder)trans-120.1127.8174.8-177.3169.9-173.8173.30110.1Y182 E183 T236 F254 T255 D281Y182-K234 HydrophobicContact CD1-CD 4.35Å; Y182-K234 HydrophobicContact CE1-CB 4.44Å; Y182-K234 HydrophobicContact CE1-CD 4.25Å; Y182-K234 HydrophobicContact CE2-CB 4.1Å; E183-K234 IonicContact OE1-NZ 3.54Å; E183-K234 PolarHBondContact OE1-NZ 2.98Å; K234-T236 PolarHBondContact O-N 3.4Å; K234-F254 CarbonylContact O-C 3.41Å; K234-F254 WeakPolarHBondContact O-CA 3.26Å; K234-T255 PolarHBondContact N-O 3.13Å; K234-T255 PolarHBondContact O-N 2.99Å; K234-T255 PolarHBondContact O-OG1 3.35Å; K234-D281 CarbonylContact C-O 3.59Å
235R97.1Very high95.8Very high3 Ų341.5 Ų41.51%0.01124%0.24CC..EExtended strand (participates in β ladder)trans-57.5135.4-178.3-166.6178.9-59.5-74.96.5110.3C239 Q240 C248 G253 F254 I272 D281R235-C239 WeakPolarHBondContact CD-O 3.42Å; R235-C239 HydrophobicContact CG-CB 3.61Å; R235-Q240 HydrophobicContact CG-CG 4.4Å; R235-Q240 PolarHBondContact O-NE2 2.81Å; R235-C248 PolarHBondContact NH1-O 3.43Å; R235-G253 WeakPolarHBondContact CA-O 3Å; R235-G253 WeakPolarHBondContact CG-O 3.48Å; R235-F254 HydrophobicContact CB-CD1 4.27Å; R235-F254 HydrophobicContact CB-CE1 4.16Å; R235-I272 PolarHBondContact NH2-O 3.23Å; R235-D281 HydrophobicContact CB-CB 3.88Å; R235-D281 WeakPolarHBondContact CB-O 3.45Å; R235-D281 VanDerWaalsContact CD-OD1 3.31Å; R235-D281 WeakPolarHBondContact CD-OD1 3.18Å; R235-D281 PolarHBondContact N-O 2.57Å; R235-D281 IonicContact NE-OD1 3.11Å; R235-D281 PolarHBondContact NE-OD1 2.84Å
236T97.1Very high96Very high32 Ų3242.9 Ų42.920%0.19625%0.25CC..  trans-63149.7175.362.70000110.5K234 A238 C239 Q240 G253 T255K234-T236 PolarHBondContact O-N 3.4Å; T236-A238 PolarHBondContact O-N 3.48Å; T236-C239 PolarHBondContact O-N 2.89Å; T236-C239 WeakPolarHBondContact OG1-CB 3.44Å; T236-C239 PolarHBondContact OG1-N 2.85Å; T236-C239 PolarHBondContact OG1-SG 2.85Å; T236-C239 VanDerWaalsContact OG1-SG 3.38Å; T236-Q240 WeakPolarHBondContact O-CG 3.31Å; T236-Q240 PolarHBondContact O-N 3.29Å; T236-G253 PolarHBondContact N-O 3.39Å; T236-G253 PolarHBondContact OG1-O 2.86Å; T236-T255 HydrophobicContact CG2-CG2 3.73Å
237E95.8Very high96Very high171 Ų17145.2 Ų45.280%0.79926%0.262SS*.Hα-helixtrans-53.7-42178.1-66.4-177.817200112.4C239 Q240E237-C239 PolarHBondContact O-N 3.12Å; E237-Q240 PolarHBondContact O-N 3.46Å
238A95.2Very high96Very high77 Ų7745.4 Ų45.464%0.63626%0.264SS*.Hα-helixtrans-61.2-31.1177.900000113T236T236-A238 PolarHBondContact O-N 3.48Å
239C96.3Very high95.9Very high1 Ų148.8 Ų48.81%0.00728%0.28CS..Hα-helixtrans-88.7-14-178.3-75.30000114.2R235 T236 E237 S241 T242 P243 C248R235-C239 WeakPolarHBondContact CD-O 3.42Å; R235-C239 HydrophobicContact CG-CB 3.61Å; T236-C239 PolarHBondContact O-N 2.89Å; T236-C239 WeakPolarHBondContact OG1-CB 3.44Å; T236-C239 PolarHBondContact OG1-N 2.85Å; T236-C239 PolarHBondContact OG1-SG 2.85Å; T236-C239 VanDerWaalsContact OG1-SG 3.38Å; E237-C239 PolarHBondContact O-N 3.12Å; C239-S241 VanDerWaalsContact C-N 3.29Å; C239-S241 PolarHBondContact O-N 3.33Å; C239-T242 CarbonylContact O-C 3.52Å; C239-T242 PolarHBondContact O-N 2.84Å; C239-P243 VanDerWaalsContact O-CA 3.24Å; C239-P243 WeakPolarHBondContact O-CA 3.33Å; C239-P243 VanDerWaalsContact O-N 3.12Å; C239-C248 WeakPolarHBondContact CA-SG 3.46Å; C239-C248 HydrophobicContact CB-CB 3.54Å; C239-C248 WeakPolarHBondContact CB-SG 3.33Å; C239-C248 WeakPolarHBondContact SG-CA 3.43Å; C239-C248 WeakPolarHBondContact SG-CB 3.19Å; C239-C248 CovalentContact SG-SG 2.03Å; C239-C248 PolarHBondContact SG-SG 3.27Å
240Q95.1Very high95.7Very high64 Ų6450.8 Ų50.830%0.29929%0.294SS..Hα-helixtrans-63-35.3178.6-681736.600112.2R235 T236 E237 R275R235-Q240 HydrophobicContact CG-CG 4.4Å; R235-Q240 PolarHBondContact O-NE2 2.81Å; T236-Q240 WeakPolarHBondContact O-CG 3.31Å; T236-Q240 PolarHBondContact O-N 3.29Å; E237-Q240 PolarHBondContact O-N 3.46Å; Q240-R275 PolarHBondContact O-NH1 2.71Å
241S91.8Very high95.6Very high99 Ų9954.2 Ų54.269%0.69231%0.31SS*.SBendtrans-82.4-22.4177.752.70000114.5C239C239-S241 VanDerWaalsContact C-N 3.29Å; C239-S241 PolarHBondContact O-N 3.33Å
242T93.3Very high95.5Very high68 Ų6856.9 Ų56.942%0.41733%0.329SS..  trans-140.759.6-173.855.30000111.8C239 D244 T245 C248C239-T242 CarbonylContact O-C 3.52Å; C239-T242 PolarHBondContact O-N 2.84Å; T242-D244 VanDerWaalsContact C-N 3.27Å; T242-D244 PolarHBondContact O-N 3.07Å; T242-T245 PolarHBondContact O-N 3.49Å; T242-T245 PolarHBondContact O-OG1 2.86Å; T242-C248 WeakPolarHBondContact O-CB 3.46Å; T242-C248 PolarHBondContact O-SG 2.88Å; T242-C248 VanDerWaalsContact O-SG 3.35Å
243P94.2Very high95.4Very high16 Ų1656.9 Ų56.910%0.10433%0.329CS..THydrogen-bonded Turntrans-69.3-24.9-167.832.9-41.2000113.3C239 T245 C248 M249 G273 R275C239-P243 VanDerWaalsContact O-CA 3.24Å; C239-P243 WeakPolarHBondContact O-CA 3.33Å; C239-P243 VanDerWaalsContact O-N 3.12Å; P243-T245 VanDerWaalsContact C-N 3.32Å; P243-T245 PolarHBondContact O-N 2.04Å; P243-C248 CarbonylContact O-C 3.59Å; P243-C248 WeakPolarHBondContact O-CB 3.31Å; P243-M249 WeakPolarHBondContact O-CG 3.18Å; P243-G273 VanDerWaalsContact CB-O 3.28Å; P243-G273 WeakPolarHBondContact CB-O 3.45Å; P243-G273 WeakPolarHBondContact CG-O 3.33Å; P243-G273 WeakPolarHBondContact O-CA 3.25Å; P243-R275 HydrophobicContact CB-CG 4.42Å; P243-R275 HydrophobicContact CG-CG 4.16Å
244D93.9Very high95.4Very high98 Ų9857.5 Ų57.552%0.52433%0.332SS..THydrogen-bonded Turntrans-86.84-177.7-62.1-49.1000114.1T242 M249 G273T242-D244 VanDerWaalsContact C-N 3.27Å; T242-D244 PolarHBondContact O-N 3.07Å; D244-M249 VanDerWaalsContact O-CE 3.27Å; D244-M249 WeakPolarHBondContact O-CE 3.34Å; D244-G273 WeakPolarHBondContact OD1-CA 3.29Å
245T95Very high95.4Very high52 Ų5258.1 Ų58.132%0.31934%0.341SS..SBendtrans-69.6148.6172.5630000109.9T242 P243 N247 C248 M249T242-T245 PolarHBondContact O-N 3.49Å; T242-T245 PolarHBondContact O-OG1 2.86Å; P243-T245 VanDerWaalsContact C-N 3.32Å; P243-T245 PolarHBondContact O-N 2.04Å; T245-N247 PolarHBondContact O-N 2.86Å; T245-C248 PolarHBondContact O-N 3.4Å; T245-C248 WeakPolarHBondContact OG1-CB 3.4Å; T245-C248 PolarHBondContact OG1-N 2.83Å; T245-C248 PolarHBondContact OG1-SG 3.45Å; T245-M249 PolarHBondContact O-N 2.89Å
246P94.7Very high95.5Very high111 Ų11159.9 Ų59.972%0.72135%0.348SS*.THydrogen-bonded Turntrans-52.5-34.1179.5-29.335.6000114.1
247N95.7Very high95.5Very high98 Ų9861.9 Ų61.952%0.52436%0.357SS..THydrogen-bonded Turntrans-70.5-31.8176.6-172.377.4000113.5T245 S250 S252 G253T245-N247 PolarHBondContact O-N 2.86Å; N247-S250 PolarHBondContact O-OG 3.02Å; N247-S252 PolarHBondContact O-OG 3.23Å; N247-S252 PolarHBondContact OD1-OG 3.25Å; N247-G253 PolarHBondContact O-N 3.21Å
248C96.4Very high95.4Very high4 Ų454.1 Ų54.13%0.02732%0.321CS..THydrogen-bonded Turntrans-89.8-15.1-177.6-65.60000113.9R235 C239 T242 P243 T245 S250R235-C248 PolarHBondContact NH1-O 3.43Å; C239-C248 WeakPolarHBondContact CA-SG 3.46Å; C239-C248 HydrophobicContact CB-CB 3.54Å; C239-C248 WeakPolarHBondContact CB-SG 3.33Å; C239-C248 WeakPolarHBondContact SG-CA 3.43Å; C239-C248 WeakPolarHBondContact SG-CB 3.19Å; C239-C248 CovalentContact SG-SG 2.03Å; C239-C248 PolarHBondContact SG-SG 3.27Å; T242-C248 WeakPolarHBondContact O-CB 3.46Å; T242-C248 PolarHBondContact O-SG 2.88Å; T242-C248 VanDerWaalsContact O-SG 3.35Å; P243-C248 CarbonylContact O-C 3.59Å; P243-C248 WeakPolarHBondContact O-CB 3.31Å; T245-C248 PolarHBondContact O-N 3.4Å; T245-C248 WeakPolarHBondContact OG1-CB 3.4Å; T245-C248 PolarHBondContact OG1-N 2.83Å; T245-C248 PolarHBondContact OG1-SG 3.45Å; C248-S250 VanDerWaalsContact C-N 3.32Å
249M94.1Very high95.3Very high70 Ų7056 Ų5635%0.34533%0.327SS..THydrogen-bonded Turntrans-90.99.5170.6-62.6-170.2-64.600113.2P243 D244 T245P243-M249 WeakPolarHBondContact O-CG 3.18Å; D244-M249 VanDerWaalsContact O-CE 3.27Å; D244-M249 WeakPolarHBondContact O-CE 3.34Å; T245-M249 PolarHBondContact O-N 2.89Å
250S94.6Very high95.2Very high43 Ų4359.3 Ų59.330%0.30134%0.343SS..SBendtrans-119.8-178.5178.976.30000111N247 C248 S252 G253N247-S250 PolarHBondContact O-OG 3.02Å; C248-S250 VanDerWaalsContact C-N 3.32Å; S250-S252 PolarHBondContact O-N 3.46Å; S250-S252 VanDerWaalsContact O-N 3.15Å; S250-S252 PolarHBondContact OG-N 2.87Å; S250-S252 PolarHBondContact OG-OG 3.26Å; S250-G253 PolarHBondContact O-N 2.94Å
251Q95.7Very high95.2Very high72 Ų7256.3 Ų56.334%0.33633%0.329SS..G310 helixtrans-49.6-38.6175-175.767.812.100112.9G253 F254 S261Q251-G253 PolarHBondContact O-N 2.74Å; Q251-F254 PolarHBondContact O-N 2.72Å; Q251-S261 PolarHBondContact NE2-O 3.26Å
252S95.9Very high95.4Very high57 Ų5753 Ų5340%0.39931%0.305SS..G310 helixtrans-67.4-13.7179.449.70000114N247 S250 F254N247-S252 PolarHBondContact O-OG 3.23Å; N247-S252 PolarHBondContact OD1-OG 3.25Å; S250-S252 PolarHBondContact O-N 3.46Å; S250-S252 VanDerWaalsContact O-N 3.15Å; S250-S252 PolarHBondContact OG-N 2.87Å; S250-S252 PolarHBondContact OG-OG 3.26Å; S252-F254 PolarHBondContact O-N 2.03Å
253G96.9Very high95.5Very high0 Ų050.9 Ų50.90%029%0.292CS..G310 helixtrans-72.4-14.117500000113.8R235 T236 N247 S250 Q251R235-G253 WeakPolarHBondContact CA-O 3Å; R235-G253 WeakPolarHBondContact CG-O 3.48Å; T236-G253 PolarHBondContact N-O 3.39Å; T236-G253 PolarHBondContact OG1-O 2.86Å; N247-G253 PolarHBondContact O-N 3.21Å; S250-G253 PolarHBondContact O-N 2.94Å; Q251-G253 PolarHBondContact O-N 2.74Å
254F97.7Very high95.6Very high12 Ų1251.3 Ų51.35%0.05330%0.297CS..EExtended strand (participates in β ladder)trans-129.5154.5-169.5-62.7-95.6000112.2K234 R235 Q251 S252 F256 V263 I272 I283 V297K234-F254 CarbonylContact O-C 3.41Å; K234-F254 WeakPolarHBondContact O-CA 3.26Å; R235-F254 HydrophobicContact CB-CD1 4.27Å; R235-F254 HydrophobicContact CB-CE1 4.16Å; Q251-F254 PolarHBondContact O-N 2.72Å; S252-F254 PolarHBondContact O-N 2.03Å; F254-F256 HydrophobicContact CB-CD2 4.45Å; F254-F256 HydrophobicContact CB-CE2 3.58Å; F254-F256 HydrophobicContact CB-CZ 3.68Å; F254-V263 HydrophobicContact CD2-CG1 3.77Å; F254-V263 HydrophobicContact CE2-CG1 4.2Å; F254-V263 HydrophobicContact CG-CG1 4.31Å; F254-I272 HydrophobicContact CE2-CG2 3.49Å; F254-I272 VanDerWaalsContact CE2-CG2 3.49Å; F254-I272 HydrophobicContact CZ-CG2 3.74Å; F254-I283 HydrophobicContact CD1-CD1 3.82Å; F254-I283 HydrophobicContact CD1-CG1 3.83Å; F254-I283 HydrophobicContact CE1-CD1 3.94Å; F254-I283 HydrophobicContact CE1-CG1 3.6Å; F254-I283 HydrophobicContact CG-CD1 4.17Å; F254-I283 HydrophobicContact CZ-CD1 4.39Å; F254-I283 HydrophobicContact CZ-CG1 4.27Å; F254-V297 HydrophobicContact CE1-CG2 4.48Å; F254-V297 HydrophobicContact CZ-CG2 4.3Å
255T97.7Very high95.6Very high72 Ų7247 Ų4744%0.44227%0.273SS..EExtended strand (participates in β ladder)trans-110.1145168.756.50000108.7G233 K234 T236G233-T255 WeakPolarHBondContact CA-O 3.36Å; K234-T255 PolarHBondContact N-O 3.13Å; K234-T255 PolarHBondContact O-N 2.99Å; K234-T255 PolarHBondContact O-OG1 3.35Å; T236-T255 HydrophobicContact CG2-CG2 3.73Å
256F98.1Very high95.6Very high40 Ų4046.9 Ų46.918%0.17527%0.273CS..  trans-129.8140.6-177.4-60.4-90.7000108.7D232 G233 F254 N258 V263 I283D232-F256 HydrophobicContact CB-CD1 4.47Å; D232-F256 WeakPolarHBondContact OD2-CA 3.09Å; D232-F256 WeakPolarHBondContact OD2-CB 3.34Å; G233-F256 VanDerWaalsContact CA-CE1 3.49Å; F254-F256 HydrophobicContact CB-CD2 4.45Å; F254-F256 HydrophobicContact CB-CE2 3.58Å; F254-F256 HydrophobicContact CB-CZ 3.68Å; F256-N258 VanDerWaalsContact CB-O 3.31Å; F256-N258 WeakPolarHBondContact CB-O 3.31Å; F256-V263 HydrophobicContact CZ-CG1 3.93Å; F256-I283 HydrophobicContact CE1-CD1 4.38Å; F256-I283 HydrophobicContact CZ-CD1 4.46Å
257I97.4Very high95.5Very high74 Ų7446.8 Ų46.838%0.37926%0.261SS..SBendtrans-77.6-43.3172.4-67.8169.5000109.4Y182 V186 T196 F197 D232 P259Y182-I257 HydrophobicContact CE1-CD1 3.85Å; Y182-I257 WeakPolarHBondContact OH-CD1 3.38Å; V186-I257 HydrophobicContact CB-CD1 4.08Å; V186-I257 HydrophobicContact CG1-CD1 3.73Å; V186-I257 HydrophobicContact CG2-CD1 3.13Å; T196-I257 HydrophobicContact CG2-CG2 3.84Å; F197-I257 HydrophobicContact CD1-CD1 4.4Å; D232-I257 VanDerWaalsContact CG-N 3.34Å; D232-I257 PolarHBondContact OD1-N 3.3Å; D232-I257 WeakPolarHBondContact OD2-CA 3.47Å; D232-I257 PolarHBondContact OD2-N 3.38Å; I257-P259 WeakPolarHBondContact O-CD 3.31Å
258N94.7Very high95.5Very high8 Ų844.4 Ų44.44%0.04325%0.245CC..SBendtrans-83111.8168-176.5-13.6000108.7Y167 T196 S198 D232 F256 M260 S261Y167-N258 PolarHBondContact OH-ND2 3.07Å; T196-N258 HydrophobicContact CG2-CB 3.98Å; S198-N258 PolarHBondContact OG-ND2 3.23Å; D232-N258 PolarHBondContact OD2-N 2.87Å; F256-N258 VanDerWaalsContact CB-O 3.31Å; F256-N258 WeakPolarHBondContact CB-O 3.31Å; N258-M260 PolarHBondContact O-N 3.15Å; N258-M260 WeakPolarHBondContact OD1-CB 3.39Å; N258-M260 PolarHBondContact OD1-N 3.04Å; N258-S261 WeakPolarHBondContact CB-OG 3.35Å; N258-S261 WeakPolarHBondContact O-CB 2.96Å; N258-S261 PolarHBondContact O-N 3.46Å
259P92.6Very high95.3Very high116 Ų11647 Ų4775%0.75327%0.267SS*.THydrogen-bonded Turntrans-65.2-14.5-175.727.8-35.8000113.6I257I257-P259 WeakPolarHBondContact O-CD 3.31Å
260M92.8Very high95Very high72 Ų7246.1 Ų46.136%0.35527%0.268SS..THydrogen-bonded Turntrans-87.2-14175.7-59.1-60.4-63.500112.8S164 V201 N258S164-M260 VanDerWaalsContact OG-CE 3.29Å; S164-M260 WeakPolarHBondContact OG-CE 3.41Å; V201-M260 HydrophobicContact CG2-CE 4.27Å; V201-M260 WeakPolarHBondContact CG2-O 3.4Å; N258-M260 PolarHBondContact O-N 3.15Å; N258-M260 WeakPolarHBondContact OD1-CB 3.39Å; N258-M260 PolarHBondContact OD1-N 3.04Å
261S95.4Very high94.8Very high0 Ų047 Ų470%027%0.274CS..  trans-74.7144.9-178.4-67.30000112.2G199 P200 Q251 N258G199-S261 WeakPolarHBondContact CA-OG 3.33Å; G199-S261 PolarHBondContact N-OG 3.33Å; G199-S261 PolarHBondContact O-OG 3.29Å; P200-S261 CarbonylContact O-C 3.58Å; P200-S261 WeakPolarHBondContact O-CA 3.46Å; Q251-S261 PolarHBondContact NE2-O 3.26Å; N258-S261 WeakPolarHBondContact CB-OG 3.35Å; N258-S261 WeakPolarHBondContact O-CB 2.96Å; N258-S261 PolarHBondContact O-N 3.46Å
262T96.3Very high94.5Very high31 Ų3145 Ų4519%0.1927%0.265CS..  trans-136.3174.5-174.974.90000112.3P200 V201 A264P200-T262 PolarHBondContact O-N 2.65Å; P200-T262 PolarHBondContact O-OG1 2.78Å; V201-T262 WeakPolarHBondContact O-CG2 3Å; V201-T262 PolarHBondContact O-OG1 2.85Å; V201-T262 VanDerWaalsContact O-OG1 3.05Å; T262-A264 PolarHBondContact O-N 3.03Å; T262-A264 WeakPolarHBondContact OG1-CB 3.36Å; T262-A264 PolarHBondContact OG1-N 3.09Å
263V96.2Very high94.2Very high22 Ų2242.3 Ų42.313%0.13325%0.246CC..SBendtrans-82.211.5171.6-58.50000113.6F254 F256 Y265 W268 I283F254-V263 HydrophobicContact CD2-CG1 3.77Å; F254-V263 HydrophobicContact CE2-CG1 4.2Å; F254-V263 HydrophobicContact CG-CG1 4.31Å; F256-V263 HydrophobicContact CZ-CG1 3.93Å; V263-Y265 VanDerWaalsContact C-N 3.25Å; V263-Y265 PolarHBondContact O-N 3Å; V263-W268 HydrophobicContact CB-CZ2 4.25Å; V263-I283 HydrophobicContact CG1-CD1 3.92Å
264A94.9Very high93.7Very high26 Ų2643.4 Ų43.422%0.21526%0.255CS..  trans-75.968.1-173.500000112.8N202 E203 T262N202-A264 CarbonylContact C-O 3.4Å; E203-A264 WeakPolarHBondContact CA-O 3.48Å; E203-A264 HydrophobicContact CG-CB 4.39Å; T262-A264 PolarHBondContact O-N 3.03Å; T262-A264 WeakPolarHBondContact OG1-CB 3.36Å; T262-A264 PolarHBondContact OG1-N 3.09Å
265Y95.8Very high93.1Very high7 Ų746.5 Ų46.53%0.02727%0.266CS..  trans-99.5134.1169.8-67-90000110.3P200 L209 F210 V231 V263 K267 W268 I283 I285 A295P200-Y265 WeakPolarHBondContact CD-OH 3.22Å; P200-Y265 HydrophobicContact CG-CD1 4.21Å; P200-Y265 HydrophobicContact CG-CD2 4.22Å; P200-Y265 HydrophobicContact CG-CE1 3.79Å; P200-Y265 HydrophobicContact CG-CE2 3.78Å; P200-Y265 HydrophobicContact CG-CG 4.42Å; L209-Y265 HydrophobicContact CD1-CE1 4.44Å; F210-Y265 AromaticContact CE1-CD1 3.77Å; F210-Y265 HydrophobicContact CE1-CD1 3.77Å; F210-Y265 HydrophobicContact CE1-CE1 4.39Å; F210-Y265 AromaticContact CZ-CD1 3.81Å; F210-Y265 HydrophobicContact CZ-CD1 3.81Å; F210-Y265 HydrophobicContact CZ-CG 4.37Å; V231-Y265 WeakPolarHBondContact CB-OH 3.07Å; V231-Y265 WeakPolarHBondContact CG2-OH 3.35Å; V263-Y265 VanDerWaalsContact C-N 3.25Å; V263-Y265 PolarHBondContact O-N 3Å; Y265-K267 PolarHBondContact O-N 2.82Å; Y265-K267 VanDerWaalsContact O-N 3.17Å; Y265-W268 HydrophobicContact CD2-CH2 4.45Å; Y265-W268 AromaticContact CD2-CZ2 3.77Å; Y265-W268 HydrophobicContact CD2-CZ2 3.77Å; Y265-I283 HydrophobicContact CD2-CG2 4.47Å; Y265-I283 HydrophobicContact CE2-CG2 3.81Å; Y265-I285 HydrophobicContact CE1-CD1 4.17Å; Y265-I285 HydrophobicContact CE1-CG1 4.15Å; Y265-A295 HydrophobicContact CD1-CB 3.9Å; Y265-A295 HydrophobicContact CD2-CB 3.95Å; Y265-A295 HydrophobicContact CG-CB 3.53Å
266P93.3Very high92.4Very high49 Ų4950.2 Ų50.232%0.31828%0.284SS..SBendtrans-69.2-18-17621.6-27.3000112.7D207 F210D207-P266 HydrophobicContact CB-CG 4.34Å; D207-P266 VanDerWaalsContact CG-CG 3.49Å; D207-P266 WeakPolarHBondContact OD1-CG 3.43Å; F210-P266 HydrophobicContact CD2-CG 4.1Å; F210-P266 HydrophobicContact CE2-CG 3.76Å
267K94.4Very high91.8Very high109 Ų10949.6 Ų49.647%0.47429%0.289SS..  trans-145121.4179.7-167.3173.5173.2-169.80113F210 Y265 V294 A295F210-K267 HydrophobicContact CE2-CB 4.13Å; F210-K267 WeakPolarHBondContact CZ-O 3.21Å; Y265-K267 PolarHBondContact O-N 2.82Å; Y265-K267 VanDerWaalsContact O-N 3.17Å; K267-V294 HydrophobicContact CB-CG1 4.4Å; K267-V294 HydrophobicContact CD-CG1 3.63Å; K267-V294 HydrophobicContact CG-CG1 3.74Å; K267-A295 PolarHBondContact O-N 3.22Å
268W95.2Very high91.2Very high48 Ų4851.3 Ų51.318%0.18231%0.307CS..BIsolated β-bridgetrans-104.1142.4170.8-69.982.8000111.1V263 Y265 S270 I272 I283 A295 V297V263-W268 HydrophobicContact CB-CZ2 4.25Å; Y265-W268 HydrophobicContact CD2-CH2 4.45Å; Y265-W268 AromaticContact CD2-CZ2 3.77Å; Y265-W268 HydrophobicContact CD2-CZ2 3.77Å; W268-S270 VanDerWaalsContact C-N 3.28Å; W268-S270 VanDerWaalsContact CB-O 3.25Å; W268-S270 WeakPolarHBondContact CB-O 3.24Å; W268-S270 PolarHBondContact O-N 2.91Å; W268-I272 HydrophobicContact CD2-CD1 4.39Å; W268-I272 HydrophobicContact CD2-CG1 3.66Å; W268-I272 HydrophobicContact CE3-CG1 3.99Å; W268-I272 HydrophobicContact CG-CG1 4.11Å; W268-I272 HydrophobicContact CH2-CG1 4.19Å; W268-I272 HydrophobicContact CH2-CG2 4.28Å; W268-I272 HydrophobicContact CZ2-CD1 4.06Å; W268-I272 HydrophobicContact CZ2-CG1 3.88Å; W268-I272 HydrophobicContact CZ3-CG1 4.25Å; W268-I283 HydrophobicContact CH2-CD1 4.03Å; W268-I283 HydrophobicContact CH2-CG1 4.07Å; W268-I283 HydrophobicContact CH2-CG2 3.76Å; W268-I283 HydrophobicContact CZ3-CG2 4.29Å; W268-A295 CarbonylContact C-O 3.45Å; W268-A295 VanDerWaalsContact CA-O 3.29Å; W268-A295 WeakPolarHBondContact CA-O 3.39Å; W268-A295 HydrophobicContact CD2-CB 3.76Å; W268-A295 HydrophobicContact CE3-CB 3.83Å; W268-A295 HydrophobicContact CG-CB 4.3Å; W268-A295 HydrophobicContact CH2-CB 4.27Å; W268-A295 HydrophobicContact CZ2-CB 4.2Å; W268-A295 HydrophobicContact CZ3-CB 4.08Å; W268-V297 HydrophobicContact CZ3-CG2 4.01Å
269A92.4Very high90.9Very high58 Ų5852.9 Ų52.948%0.47932%0.316SS..SBendtrans-67.4-31.4177.400000112.6V294 A295A269-V294 HydrophobicContact CB-CB 4.32Å; A269-V294 HydrophobicContact CB-CG2 3.7Å; A269-A295 PolarHBondContact N-O 3.4Å
270S86.4Confident91Very high53 Ų5347.8 Ų47.837%0.37128%0.282SS..SBendtrans-150.2-172.3-176.753.10000108.6W268 A274W268-S270 VanDerWaalsContact C-N 3.28Å; W268-S270 VanDerWaalsContact CB-O 3.25Å; W268-S270 WeakPolarHBondContact CB-O 3.24Å; W268-S270 PolarHBondContact O-N 2.91Å; S270-A274 VanDerWaalsContact OG-CB 3.28Å; S270-A274 WeakPolarHBondContact OG-CB 3.27Å
271S90.5Very high91.2Very high61 Ų6145 Ų4543%0.42727%0.268SS..  trans-62.1150.4171.262.20000110.6G273 A274S271-G273 PolarHBondContact O-N 3.05Å; S271-G273 VanDerWaalsContact O-N 3.1Å; S271-A274 VanDerWaalsContact O-CB 3.22Å; S271-A274 WeakPolarHBondContact O-CB 3.38Å; S271-A274 PolarHBondContact O-N 3.41Å; S271-A274 PolarHBondContact OG-N 2.84Å
272I91Very high91.3Very high31 Ų3145 Ų4516%0.15927%0.268CS..THydrogen-bonded Turntrans-59.3-22.5174.7-61.5174.7000111.7R235 F254 W268R235-I272 PolarHBondContact NH2-O 3.23Å; F254-I272 HydrophobicContact CE2-CG2 3.49Å; F254-I272 VanDerWaalsContact CE2-CG2 3.49Å; F254-I272 HydrophobicContact CZ-CG2 3.74Å; W268-I272 HydrophobicContact CD2-CD1 4.39Å; W268-I272 HydrophobicContact CD2-CG1 3.66Å; W268-I272 HydrophobicContact CE3-CG1 3.99Å; W268-I272 HydrophobicContact CG-CG1 4.11Å; W268-I272 HydrophobicContact CH2-CG1 4.19Å; W268-I272 HydrophobicContact CH2-CG2 4.28Å; W268-I272 HydrophobicContact CZ2-CD1 4.06Å; W268-I272 HydrophobicContact CZ2-CG1 3.88Å; W268-I272 HydrophobicContact CZ3-CG1 4.25Å
273G88.7Confident91.3Very high0 Ų043.5 Ų43.50%026%0.259CS..THydrogen-bonded Turntrans-83.6-9.417500000115.2P243 D244 S271P243-G273 VanDerWaalsContact CB-O 3.28Å; P243-G273 WeakPolarHBondContact CB-O 3.45Å; P243-G273 WeakPolarHBondContact CG-O 3.33Å; P243-G273 WeakPolarHBondContact O-CA 3.25Å; D244-G273 WeakPolarHBondContact OD1-CA 3.29Å; S271-G273 PolarHBondContact O-N 3.05Å; S271-G273 VanDerWaalsContact O-N 3.1Å
274A87.1Confident91.4Very high22 Ų2242.5 Ų42.518%0.18225%0.253CS..  trans-62.6141.9-174.500000112.6S270 S271S270-A274 VanDerWaalsContact OG-CB 3.28Å; S270-A274 WeakPolarHBondContact OG-CB 3.27Å; S271-A274 VanDerWaalsContact O-CB 3.22Å; S271-A274 WeakPolarHBondContact O-CB 3.38Å; S271-A274 PolarHBondContact O-N 3.41Å; S271-A274 PolarHBondContact OG-N 2.84Å
275R85.2Confident91.5Very high77 Ų7741.2 Ų41.229%0.29124%0.243SC..  trans-139.4114.7174.8-61-176.583.3-155.69.5108.8Q240 P243 S278 D280 D281Q240-R275 PolarHBondContact O-NH1 2.71Å; P243-R275 HydrophobicContact CB-CG 4.42Å; P243-R275 HydrophobicContact CG-CG 4.16Å; R275-S278 PolarHBondContact NH2-O 2.64Å; R275-D280 HydrophobicContact CB-CB 4.22Å; R275-D280 HydrophobicContact CG-CB 4.36Å; R275-D280 PolarHBondContact NE-O 3.29Å; R275-D281 IonicContact CZ-OD1 3.59Å; R275-D281 IonicContact CZ-OD2 3.85Å; R275-D281 IonicContact NE-OD1 3.4Å; R275-D281 PolarHBondContact NE-OD1 3.38Å; R275-D281 IonicContact NH2-OD1 3.22Å; R275-D281 PolarHBondContact NH2-OD1 3.12Å; R275-D281 IonicContact NH2-OD2 2.8Å; R275-D281 PolarHBondContact NH2-OD2 3.29Å
276D83Confident91.6Very high151 Ų15144 Ų4481%0.80726%0.255SS*.SBendtrans-83.6-31.9173.2-70.1-21.1000110.2D280D276-D280 WeakPolarHBondContact CA-OD2 3.41Å; D276-D280 WeakPolarHBondContact CB-OD2 3.45Å; D276-D280 PolarHBondContact N-OD2 3.03Å
277G84.8Confident91.7Very high27 Ų2741.6 Ų41.628%0.27824%0.24SC..SBendtrans-119.8161.3174.100000113.4D279 D280G277-D279 PolarHBondContact O-N 2.86Å; G277-D280 PolarHBondContact N-OD2 3.14Å; G277-D280 PolarHBondContact O-N 3.39Å
278S85.2Confident91.8Very high110 Ų11037.9 Ų37.977%0.76923%0.226SC*.THydrogen-bonded Turntrans-73.2-2.2-177.859.80000114.8R275R275-S278 PolarHBondContact NH2-O 2.64Å
279D88.9Confident91.7Very high41 Ų4138.9 Ų38.922%0.21924%0.24CC..THydrogen-bonded Turntrans-122.911.2177.367-39.5000112.7G277 D281 S299 M303G277-D279 PolarHBondContact O-N 2.86Å; D279-D281 VanDerWaalsContact C-N 3.35Å; D279-D281 PolarHBondContact O-N 2.67Å; D279-S299 WeakPolarHBondContact O-CA 3.47Å; D279-S299 VanDerWaalsContact OD2-CB 3.25Å; D279-S299 WeakPolarHBondContact OD2-CB 3.39Å; D279-S299 PolarHBondContact OD2-OG 2.82Å; D279-M303 WeakPolarHBondContact OD2-CE 3.39Å
280D94.2Very high91.7Very high9 Ų940 Ų405%0.04826%0.257CS..EExtended strand (participates in β ladder)trans-71.888175.9-74.7-15.8000110.9R275 D276 G277 V297 Q298 S299R275-D280 HydrophobicContact CB-CB 4.22Å; R275-D280 HydrophobicContact CG-CB 4.36Å; R275-D280 PolarHBondContact NE-O 3.29Å; D276-D280 WeakPolarHBondContact CA-OD2 3.41Å; D276-D280 WeakPolarHBondContact CB-OD2 3.45Å; D276-D280 PolarHBondContact N-OD2 3.03Å; G277-D280 PolarHBondContact N-OD2 3.14Å; G277-D280 PolarHBondContact O-N 3.39Å; D280-V297 VanDerWaalsContact C-CG1 3.47Å; D280-V297 HydrophobicContact CB-CG1 4.45Å; D280-V297 VanDerWaalsContact O-CG1 3.25Å; D280-V297 WeakPolarHBondContact O-CG1 3.25Å; D280-Q298 VanDerWaalsContact OD1-C 3.26Å; D280-Q298 VanDerWaalsContact OD1-CA 3.26Å; D280-Q298 WeakPolarHBondContact OD1-CA 3.26Å; D280-S299 PolarHBondContact OD1-N 3.14Å
281D96.3Very high92.1Very high12 Ų1244.4 Ų44.46%0.06427%0.27CS..EExtended strand (participates in β ladder)trans-133.9-0.9-171.4-68.1-51.6000113.7K234 R235 R275 D279 Q298 C300K234-D281 CarbonylContact C-O 3.59Å; R235-D281 HydrophobicContact CB-CB 3.88Å; R235-D281 WeakPolarHBondContact CB-O 3.45Å; R235-D281 VanDerWaalsContact CD-OD1 3.31Å; R235-D281 WeakPolarHBondContact CD-OD1 3.18Å; R235-D281 PolarHBondContact N-O 2.57Å; R235-D281 IonicContact NE-OD1 3.11Å; R235-D281 PolarHBondContact NE-OD1 2.84Å; R275-D281 IonicContact CZ-OD1 3.59Å; R275-D281 IonicContact CZ-OD2 3.85Å; R275-D281 IonicContact NE-OD1 3.4Å; R275-D281 PolarHBondContact NE-OD1 3.38Å; R275-D281 IonicContact NH2-OD1 3.22Å; R275-D281 PolarHBondContact NH2-OD1 3.12Å; R275-D281 IonicContact NH2-OD2 2.8Å; R275-D281 PolarHBondContact NH2-OD2 3.29Å; D279-D281 VanDerWaalsContact C-N 3.35Å; D279-D281 PolarHBondContact O-N 2.67Å; D281-Q298 PolarHBondContact N-O 3.27Å; D281-C300 VanDerWaalsContact C-SG 3.58Å
282C97.1Very high92.4Very high0 Ų048.1 Ų48.10%028%0.278CS..EExtended strand (participates in β ladder)trans-112.8134.5179.1-79.10000111.7Y182 G233 V297 Q298 C300Y182-C282 HydrophobicContact CD2-CB 4.15Å; Y182-C282 WeakPolarHBondContact CD2-SG 3.29Å; G233-C282 WeakPolarHBondContact O-CA 3.43Å; C282-V297 CarbonylContact O-C 3.53Å; C282-V297 WeakPolarHBondContact O-CA 3.43Å; C282-Q298 PolarHBondContact N-O 2.91Å; C282-Q298 PolarHBondContact O-N 3.3Å; C282-C300 HydrophobicContact CB-CB 4.01Å; C282-C300 WeakPolarHBondContact CB-SG 3.15Å; C282-C300 PolarHBondContact N-SG 2.81Å; C282-C300 VanDerWaalsContact N-SG 3.41Å; C282-C300 WeakPolarHBondContact SG-CA 3.31Å; C282-C300 WeakPolarHBondContact SG-CB 3.34Å; C282-C300 CovalentContact SG-SG 2.04Å; C282-C300 PolarHBondContact SG-SG 3.25Å
283I97.5Very high92.7Very high1 Ų146.7 Ų46.71%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-68.1134.8173-54.8178.3000108.3V231 G233 F254 F256 V263 Y265 W268V231-I283 HydrophobicContact CG2-CB 4.12Å; V231-I283 HydrophobicContact CG2-CG2 3.73Å; V231-I283 WeakPolarHBondContact CG2-O 3.33Å; G233-I283 PolarHBondContact O-N 3.18Å; F254-I283 HydrophobicContact CD1-CD1 3.82Å; F254-I283 HydrophobicContact CD1-CG1 3.83Å; F254-I283 HydrophobicContact CE1-CD1 3.94Å; F254-I283 HydrophobicContact CE1-CG1 3.6Å; F254-I283 HydrophobicContact CG-CD1 4.17Å; F254-I283 HydrophobicContact CZ-CD1 4.39Å; F254-I283 HydrophobicContact CZ-CG1 4.27Å; F256-I283 HydrophobicContact CE1-CD1 4.38Å; F256-I283 HydrophobicContact CZ-CD1 4.46Å; V263-I283 HydrophobicContact CG1-CD1 3.92Å; Y265-I283 HydrophobicContact CD2-CG2 4.47Å; Y265-I283 HydrophobicContact CE2-CG2 3.81Å; W268-I283 HydrophobicContact CH2-CD1 4.03Å; W268-I283 HydrophobicContact CH2-CG1 4.07Å; W268-I283 HydrophobicContact CH2-CG2 3.76Å; W268-I283 HydrophobicContact CZ3-CG2 4.29Å
284V97.1Very high93.1Very high0 Ų047.6 Ų47.60%028%0.276CS..EExtended strand (participates in β ladder)trans-141.8155.1177.2-59.90000110.8I228 A295 T296 Q298I228-V284 HydrophobicContact CG1-CG2 4.44Å; I228-V284 HydrophobicContact CG2-CB 3.51Å; I228-V284 HydrophobicContact CG2-CG1 3.73Å; I228-V284 HydrophobicContact CG2-CG2 3.84Å; V284-A295 CarbonylContact O-C 3.5Å; V284-A295 WeakPolarHBondContact O-CA 3.5Å; V284-T296 HydrophobicContact CG2-CG2 3.56Å; V284-T296 PolarHBondContact N-O 3.15Å; V284-T296 PolarHBondContact O-N 2.66Å; V284-Q298 HydrophobicContact CG2-CB 3.99Å; V284-Q298 HydrophobicContact CG2-CG 4Å
285I97.9Very high93.6Very high0 Ų046.5 Ų46.50%027%0.268CS..EExtended strand (participates in β ladder)trans-95122.5167.4-59.5173.5000107.8L209 F210 A213 I228 M229 V231 Y265 V294L209-I285 HydrophobicContact CB-CD1 3.61Å; F210-I285 HydrophobicContact CD1-CB 4.49Å; F210-I285 HydrophobicContact CD1-CD1 3.96Å; F210-I285 HydrophobicContact CD1-CG1 4.07Å; F210-I285 HydrophobicContact CD1-CG2 3.67Å; F210-I285 HydrophobicContact CE1-CB 4.5Å; F210-I285 HydrophobicContact CE1-CD1 4.27Å; F210-I285 HydrophobicContact CE1-CG1 3.96Å; F210-I285 HydrophobicContact CE1-CG2 3.98Å; A213-I285 HydrophobicContact CB-CG2 3.9Å; I228-I285 WeakPolarHBondContact CA-O 3.26Å; M229-I285 HydrophobicContact CB-CB 4.24Å; M229-I285 PolarHBondContact N-O 3.19Å; M229-I285 PolarHBondContact O-N 2.89Å; M229-I285 HydrophobicContact SD-CD1 4.37Å; V231-I285 HydrophobicContact CG1-CD1 3.71Å; V231-I285 HydrophobicContact CG1-CG1 3.92Å; Y265-I285 HydrophobicContact CE1-CD1 4.17Å; Y265-I285 HydrophobicContact CE1-CG1 4.15Å; I285-V294 WeakPolarHBondContact CA-O 3.39Å
286K96.7Very high94.1Very high64 Ų6443.3 Ų43.328%0.27826%0.257SS..EExtended strand (participates in β ladder)trans-97.5121.9176.6-177.7175.5-176.1169.40109.5V288 S293 V294 T296 L306K286-V288 HydrophobicContact CG-CG2 4.2Å; K286-S293 WeakPolarHBondContact O-CA 3.49Å; K286-V294 HydrophobicContact CB-CG2 4.17Å; K286-V294 PolarHBondContact N-O 2.8Å; K286-V294 PolarHBondContact O-N 3.02Å; K286-V294 VanDerWaalsContact O-N 3.14Å; K286-T296 HydrophobicContact CB-CG2 3.98Å; K286-L306 HydrophobicContact CD-CD1 4.41Å; K286-L306 HydrophobicContact CG-CD1 3.92Å
287T97.1Very high94.7Very high0 Ų036.4 Ų36.40%022%0.22CC..EExtended strand (participates in β ladder)trans-119.1123.3-180-56.70000109Q217 D226 Y227 S293Q217-T287 HydrophobicContact CB-CG2 4.19Å; Q217-T287 HydrophobicContact CG-CG2 4.46Å; D226-T287 WeakPolarHBondContact CA-O 3.11Å; Y227-T287 HydrophobicContact CD1-CG2 4.38Å; Y227-T287 HydrophobicContact CE1-CG2 3.75Å; Y227-T287 PolarHBondContact N-O 3.41Å; Y227-T287 PolarHBondContact O-N 2.99Å; T287-S293 PolarHBondContact OG1-OG 3.37Å
288V96.4Very high95.2Very high31 Ų3135.4 Ų35.419%0.18821%0.208CC..  trans-130.1133.9-177.2175.40000108.1K286 G290 K291 L306K286-V288 HydrophobicContact CG-CG2 4.2Å; V288-G290 PolarHBondContact O-N 2.93Å; V288-K291 HydrophobicContact CB-CB 4.46Å; V288-K291 HydrophobicContact CB-CD 4.41Å; V288-K291 HydrophobicContact CG1-CD 4.15Å; V288-K291 PolarHBondContact O-N 2.91Å; V288-L306 HydrophobicContact CG2-CD1 3.95Å
289S93.2Very high95.7Very high69 Ų6930.1 Ų30.148%0.48317%0.171SC..THydrogen-bonded Turntrans-51.5131.1-177.3-179.30000112.3Q217 D226 K291Q217-S289 VanDerWaalsContact NE2-CA 3.33Å; Q217-S289 VanDerWaalsContact NE2-N 3.16Å; D226-S289 VanDerWaalsContact OD1-CB 3.29Å; D226-S289 WeakPolarHBondContact OD1-CB 3.36Å; D226-S289 PolarHBondContact OD1-N 3.23Å; S289-K291 PolarHBondContact O-N 2.9Å
290G91.8Very high96Very high81 Ų8128.8 Ų28.884%0.83517%0.165SC*.THydrogen-bonded Turntrans72.110.118000000114.8V288V288-G290 PolarHBondContact O-N 2.93Å
291K95Very high96.1Very high146 Ų14631.1 Ų31.164%0.63518%0.18SC*.SBendtrans-127.2151.2176-61.8-176.8-178.9177.70110.3V288 S289V288-K291 HydrophobicContact CB-CB 4.46Å; V288-K291 HydrophobicContact CB-CD 4.41Å; V288-K291 HydrophobicContact CG1-CD 4.15Å; V288-K291 PolarHBondContact O-N 2.91Å; S289-K291 PolarHBondContact O-N 2.9Å
292K95.5Very high95.7Very high138 Ų13833.5 Ų33.560%0.620%0.195SC*.  trans-67.2140.3169.9-72.7-66.3-177.1178.10111E214E214-K292 WeakPolarHBondContact OE1-CA 3.35Å; E214-K292 WeakPolarHBondContact OE1-CD 3.42Å; E214-K292 IonicContact OE1-NZ 2.72Å; E214-K292 WeakPolarHBondContact OE2-CD 3.42Å; E214-K292 IonicContact OE2-NZ 3.54Å; E214-K292 PolarHBondContact OE2-NZ 2.88Å
293S97.6Very high95.3Very high2 Ų239.5 Ų39.51%0.01422%0.224CC..  trans-61.4151.4175.6-68.20000110.9E214 K286 T287E214-S293 VanDerWaalsContact CG-OG 3.31Å; E214-S293 WeakPolarHBondContact CG-OG 3.29Å; E214-S293 PolarHBondContact OE1-N 2.81Å; K286-S293 WeakPolarHBondContact O-CA 3.49Å; T287-S293 PolarHBondContact OG1-OG 3.37Å
294V97.4Very high94.9Very high18 Ų1840.7 Ų40.711%0.10923%0.232CC..EExtended strand (participates in β ladder)trans-143.4148.8-179.2-66.50000110.2K267 A269 I285 K286K267-V294 HydrophobicContact CB-CG1 4.4Å; K267-V294 HydrophobicContact CD-CG1 3.63Å; K267-V294 HydrophobicContact CG-CG1 3.74Å; A269-V294 HydrophobicContact CB-CB 4.32Å; A269-V294 HydrophobicContact CB-CG2 3.7Å; I285-V294 WeakPolarHBondContact CA-O 3.39Å; K286-V294 HydrophobicContact CB-CG2 4.17Å; K286-V294 PolarHBondContact N-O 2.8Å; K286-V294 PolarHBondContact O-N 3.02Å; K286-V294 VanDerWaalsContact O-N 3.14Å
295A97.5Very high94.5Very high0 Ų044.2 Ų44.20%026%0.256CS..EExtended strand (participates in β ladder)trans-75.9146.5167.700000110.3F210 Y265 K267 W268 A269 V284F210-A295 HydrophobicContact CE1-CB 4.26Å; F210-A295 HydrophobicContact CZ-CB 4.09Å; Y265-A295 HydrophobicContact CD1-CB 3.9Å; Y265-A295 HydrophobicContact CD2-CB 3.95Å; Y265-A295 HydrophobicContact CG-CB 3.53Å; K267-A295 PolarHBondContact O-N 3.22Å; W268-A295 CarbonylContact C-O 3.45Å; W268-A295 VanDerWaalsContact CA-O 3.29Å; W268-A295 WeakPolarHBondContact CA-O 3.39Å; W268-A295 HydrophobicContact CD2-CB 3.76Å; W268-A295 HydrophobicContact CE3-CB 3.83Å; W268-A295 HydrophobicContact CG-CB 4.3Å; W268-A295 HydrophobicContact CH2-CB 4.27Å; W268-A295 HydrophobicContact CZ2-CB 4.2Å; W268-A295 HydrophobicContact CZ3-CB 4.08Å; A269-A295 PolarHBondContact N-O 3.4Å; V284-A295 CarbonylContact O-C 3.5Å; V284-A295 WeakPolarHBondContact O-CA 3.5Å
296T95.9Very high94.2Very high10 Ų1045.8 Ų45.86%0.06127%0.265CS..EExtended strand (participates in β ladder)trans-156.4170.7173.1-171.40000108.9V284 K286 Q298V284-T296 HydrophobicContact CG2-CG2 3.56Å; V284-T296 PolarHBondContact N-O 3.15Å; V284-T296 PolarHBondContact O-N 2.66Å; K286-T296 HydrophobicContact CB-CG2 3.98Å; T296-Q298 HydrophobicContact CG2-CG 4.15Å
297V95.7Very high94Very high5 Ų544.4 Ų44.43%0.0326%0.262CS..EExtended strand (participates in β ladder)trans-103133.5170.4-172.10000109.2F254 W268 D280 C282F254-V297 HydrophobicContact CE1-CG2 4.48Å; F254-V297 HydrophobicContact CZ-CG2 4.3Å; W268-V297 HydrophobicContact CZ3-CG2 4.01Å; D280-V297 VanDerWaalsContact C-CG1 3.47Å; D280-V297 HydrophobicContact CB-CG1 4.45Å; D280-V297 VanDerWaalsContact O-CG1 3.25Å; D280-V297 WeakPolarHBondContact O-CG1 3.25Å; C282-V297 CarbonylContact O-C 3.53Å; C282-V297 WeakPolarHBondContact O-CA 3.43Å
298Q95.5Very high93.9Very high6 Ų644.4 Ų44.43%0.02826%0.262CS..EExtended strand (participates in β ladder)trans-143.9175.9173.7-68.2-158.432.500111.8I228 D280 D281 C282 V284 T296 C300 T304 S305I228-Q298 HydrophobicContact CD1-CG 4.44Å; D280-Q298 VanDerWaalsContact OD1-C 3.26Å; D280-Q298 VanDerWaalsContact OD1-CA 3.26Å; D280-Q298 WeakPolarHBondContact OD1-CA 3.26Å; D281-Q298 PolarHBondContact N-O 3.27Å; C282-Q298 PolarHBondContact N-O 2.91Å; C282-Q298 PolarHBondContact O-N 3.3Å; V284-Q298 HydrophobicContact CG2-CB 3.99Å; V284-Q298 HydrophobicContact CG2-CG 4Å; T296-Q298 HydrophobicContact CG2-CG 4.15Å; Q298-C300 PolarHBondContact O-N 3.33Å; Q298-T304 HydrophobicContact CB-CG2 4.03Å; Q298-S305 VanDerWaalsContact CD-OG 3.23Å; Q298-S305 PolarHBondContact NE2-OG 2.84Å; Q298-S305 PolarHBondContact OE1-OG 2.8Å
299S95.7Very high93.9Very high0 Ų043.5 Ų43.50%026%0.256CS..EExtended strand (participates in β ladder)trans-46.4131.9177.6-176.90000113.2R230 D279 D280 T301 M303R230-S299 PolarHBondContact NH1-O 3.38Å; D279-S299 WeakPolarHBondContact O-CA 3.47Å; D279-S299 VanDerWaalsContact OD2-CB 3.25Å; D279-S299 WeakPolarHBondContact OD2-CB 3.39Å; D279-S299 PolarHBondContact OD2-OG 2.82Å; D280-S299 PolarHBondContact OD1-N 3.14Å; S299-T301 PolarHBondContact O-N 3.5Å; S299-T301 PolarHBondContact OG-N 3.06Å; S299-T301 PolarHBondContact OG-OG1 3.02Å; S299-M303 WeakPolarHBondContact CB-O 3.4Å
300C95.8Very high94.1Very high12 Ų1240.2 Ų40.28%0.08123%0.233CC..SBendtrans-68.4-21.6169.7-64.70000112.4Y182 R230 D281 C282 Q298Y182-C300 WeakPolarHBondContact CB-O 3.44Å; Y182-C300 PolarHBondContact N-O 2.94Å; R230-C300 PolarHBondContact NH1-O 3.1Å; D281-C300 VanDerWaalsContact C-SG 3.58Å; C282-C300 HydrophobicContact CB-CB 4.01Å; C282-C300 WeakPolarHBondContact CB-SG 3.15Å; C282-C300 PolarHBondContact N-SG 2.81Å; C282-C300 VanDerWaalsContact N-SG 3.41Å; C282-C300 WeakPolarHBondContact SG-CA 3.31Å; C282-C300 WeakPolarHBondContact SG-CB 3.34Å; C282-C300 CovalentContact SG-SG 2.04Å; C282-C300 PolarHBondContact SG-SG 3.25Å; Q298-C300 PolarHBondContact O-N 3.33Å
301T94.9Very high94.4Very high59 Ų5936.4 Ų36.436%0.36219%0.193SC..SBendtrans-89.4-168.2174.377.10000110.2R230 S299 M303R230-T301 PolarHBondContact NH2-O 3.47Å; S299-T301 PolarHBondContact O-N 3.5Å; S299-T301 PolarHBondContact OG-N 3.06Å; S299-T301 PolarHBondContact OG-OG1 3.02Å; T301-M303 PolarHBondContact O-N 3.25Å; T301-M303 PolarHBondContact OG1-N 3.3Å
302T88.7Confident94.5Very high62 Ų6229.4 Ų29.438%0.3816%0.163SC..SBendtrans-772.2175.959.30000113.7Q179 T304Q179-T302 HydrophobicContact CB-CG2 3.67Å; Q179-T302 PolarHBondContact OE1-O 3.28Å; T302-T304 VanDerWaalsContact C-N 3.27Å; T302-T304 PolarHBondContact O-N 3.46Å
303M88.3Confident94.7Very high126 Ų12622.9 Ų22.962%0.62113%0.134SC*.  trans-82.964.8-177.9-62-166.3-56.700112.3D279 S299 T301D279-M303 WeakPolarHBondContact OD2-CE 3.39Å; S299-M303 WeakPolarHBondContact CB-O 3.4Å; T301-M303 PolarHBondContact O-N 3.25Å; T301-M303 PolarHBondContact OG1-N 3.3Å
304T89.6Confident94.6Very high26 Ų2622.8 Ų22.816%0.1613%0.134CC..  trans-110.7157.9-176.952.30000112.4I228 Q298 T302 L306I228-T304 HydrophobicContact CD1-CG2 4.29Å; Q298-T304 HydrophobicContact CB-CG2 4.03Å; T302-T304 VanDerWaalsContact C-N 3.27Å; T302-T304 PolarHBondContact O-N 3.46Å; T304-L306 WeakPolarHBondContact CB-O 3.28Å; T304-L306 PolarHBondContact O-N 2.81Å; T304-L306 PolarHBondContact OG1-O 2.6Å
305S87.6Confident94.6Very high74 Ų7422.9 Ų22.952%0.51713%0.132SC..SBendtrans-66.4-22.7179.759.30000114Q298Q298-S305 VanDerWaalsContact CD-OG 3.23Å; Q298-S305 PolarHBondContact NE2-OG 2.84Å; Q298-S305 PolarHBondContact OE1-OG 2.8Å
306L92.6Very high94.5Very high33 Ų3329.5 Ų29.517%0.17316%0.163CC..SBendtrans-132.1156.4174.4-66.8178.2000108.3D226 I228 K286 V288 T304 A308D226-L306 HydrophobicContact CB-CD1 4.28Å; D226-L306 HydrophobicContact CB-CD2 3.96Å; I228-L306 HydrophobicContact CD1-CB 3.91Å; I228-L306 HydrophobicContact CG1-CB 3.99Å; K286-L306 HydrophobicContact CD-CD1 4.41Å; K286-L306 HydrophobicContact CG-CD1 3.92Å; V288-L306 HydrophobicContact CG2-CD1 3.95Å; T304-L306 WeakPolarHBondContact CB-O 3.28Å; T304-L306 PolarHBondContact O-N 2.81Å; T304-L306 PolarHBondContact OG1-O 2.6Å; L306-A308 PolarHBondContact O-N 3.32Å
307P92.7Very high94.4Very high34 Ų3429.5 Ų29.522%0.22116%0.164CC..  trans-64.4128.7179.128.5-36.2000110.8Y227 I228 Q309Y227-P307 WeakPolarHBondContact CA-O 3.5Å; Y227-P307 WeakPolarHBondContact CB-O 3.49Å; I228-P307 PolarHBondContact N-O 2.98Å; P307-Q309 HydrophobicContact CB-CG 3.86Å; P307-Q309 HydrophobicContact CG-CG 4.19Å; P307-Q309 PolarHBondContact O-N 2.64Å; P307-Q309 VanDerWaalsContact O-N 3.14Å
308A95.4Very high94.2Very high0 Ų031.7 Ų31.70%017%0.172CC..EExtended strand (participates in β ladder)trans-77.494.4173.400000110I180 I228 L306I180-A308 PolarHBondContact N-O 3.27Å; I180-A308 WeakPolarHBondContact O-CB 3.24Å; I228-A308 HydrophobicContact CG2-CB 4.41Å; I228-A308 CarbonylContact O-C 3.49Å; I228-A308 WeakPolarHBondContact O-CA 3.38Å; L306-A308 PolarHBondContact O-N 3.32Å
309Q95.3Very high93.7Very high13 Ų1334.5 Ų34.56%0.06119%0.189CC..EExtended strand (participates in β ladder)trans-111.9-3.9-170.1-64.9-165.1-30.800114.6I173 A174 T222 Y227 I228 P307I173-Q309 CarbonylContact C-O 3.55Å; I173-Q309 WeakPolarHBondContact CA-O 3.22Å; A174-Q309 HydrophobicContact CB-CB 4.46Å; A174-Q309 PolarHBondContact N-O 2.75Å; T222-Q309 HydrophobicContact CG2-CB 4.33Å; Y227-Q309 HydrophobicContact CD2-CB 4.3Å; I228-Q309 PolarHBondContact O-N 2.93Å; P307-Q309 HydrophobicContact CB-CG 3.86Å; P307-Q309 HydrophobicContact CG-CG 4.19Å; P307-Q309 PolarHBondContact O-N 2.64Å; P307-Q309 VanDerWaalsContact O-N 3.14Å
310A97.2Very high92.2Very high0 Ų043 Ų430%022%0.221CC..EExtended strand (participates in β ladder)trans-140.9164.6175.600000111G172 L216 Y227 I228 M229 R230G172-A310 CarbonylContact O-C 3.55Å; G172-A310 WeakPolarHBondContact O-CA 3.48Å; G172-A310 WeakPolarHBondContact O-CB 3.36Å; L216-A310 HydrophobicContact CD1-CB 3.91Å; Y227-A310 HydrophobicContact CD2-CB 4.33Å; Y227-A310 HydrophobicContact CE2-CB 3.79Å; I228-A310 PolarHBondContact O-N 2.51Å; M229-A310 CarbonylContact C-O 3.41Å; M229-A310 WeakPolarHBondContact CA-O 3.28Å; M229-A310 HydrophobicContact CB-CB 4.01Å; M229-A310 HydrophobicContact CE-CB 3.83Å; M229-A310 HydrophobicContact CG-CB 3.93Å; R230-A310 PolarHBondContact N-O 3.11Å
311Y98.1Very high90.3Very high0 Ų047.8 Ų47.80%025%0.246CC..EExtended strand (participates in β ladder)trans-151.2146.5177.958.4-77000110.4A171 G172 I180 A185 R188 E192 Y193 R230 C313A171-Y311 CarbonylContact C-O 3.56Å; A171-Y311 WeakPolarHBondContact CA-O 3.3Å; G172-Y311 PolarHBondContact N-O 3.3Å; G172-Y311 WeakPolarHBondContact O-CD1 3.42Å; G172-Y311 PolarHBondContact O-N 3.19Å; I180-Y311 HydrophobicContact CD1-CD1 3.22Å; I180-Y311 HydrophobicContact CD1-CE1 3.52Å; I180-Y311 HydrophobicContact CD1-CG 4.3Å; I180-Y311 HydrophobicContact CG2-CD1 4.44Å; A185-Y311 HydrophobicContact CB-CD2 4.25Å; A185-Y311 HydrophobicContact CB-CG 4.09Å; R188-Y311 HydrophobicContact CB-CD2 4.44Å; R188-Y311 HydrophobicContact CB-CE1 4.49Å; R188-Y311 HydrophobicContact CB-CE2 3.55Å; R188-Y311 WeakPolarHBondContact CB-OH 3.39Å; E192-Y311 PolarHBondContact OE2-OH 2.83Å; Y193-Y311 HydrophobicContact CE2-CE2 4.05Å; R230-Y311 CarbonylContact O-C 3.58Å; R230-Y311 VanDerWaalsContact O-CA 3.31Å; R230-Y311 WeakPolarHBondContact O-CA 3.29Å; Y311-C313 VanDerWaalsContact CD2-SG 3.52Å; Y311-C313 WeakPolarHBondContact CE2-SG 3.04Å
312M98.4Very high87.7Confident0 Ų056.1 Ų56.10%029%0.287CS..EExtended strand (participates in β ladder)trans-100.7122.6-176-172.256.758.700112F169 A171 F197 S198 L209 L212 M229 R230 V231F169-M312 HydrophobicContact CB-SD 3.91Å; F169-M312 HydrophobicContact CD1-CG 3.99Å; F169-M312 HydrophobicContact CD1-SD 3.96Å; F169-M312 HydrophobicContact CG-SD 4.35Å; A171-M312 HydrophobicContact CB-CE 3.92Å; F197-M312 WeakPolarHBondContact CD2-O 3.41Å; S198-M312 PolarHBondContact N-O 3.42Å; L209-M312 HydrophobicContact CD1-CG 4.1Å; L209-M312 HydrophobicContact CD2-CE 3.98Å; L209-M312 HydrophobicContact CD2-CG 3.89Å; L209-M312 HydrophobicContact CD2-SD 3.91Å; L212-M312 HydrophobicContact CB-CE 4.04Å; L212-M312 HydrophobicContact CD1-CE 3.76Å; L212-M312 HydrophobicContact CD1-SD 4.21Å; M229-M312 HydrophobicContact CE-CE 4.22Å; M229-M312 HydrophobicContact SD-CB 4.41Å; M229-M312 HydrophobicContact SD-CE 3.51Å; M229-M312 VanDerWaalsContact SD-CE 3.51Å; R230-M312 PolarHBondContact O-N 2.84Å; V231-M312 HydrophobicContact CG1-CB 3.96Å
313C98.2Very high87.7Confident0 Ų055.8 Ų55.80%028%0.283CS..EExtended strand (participates in β ladder)trans-110.9153.4175-53.90000110.2F169 R170 C189 Y193 A195 T196 Y311F169-C313 CarbonylContact C-O 3.49Å; F169-C313 WeakPolarHBondContact CA-O 3.37Å; R170-C313 PolarHBondContact N-O 2.98Å; R170-C313 PolarHBondContact O-N 2.7Å; C189-C313 WeakPolarHBondContact CA-SG 3.31Å; C189-C313 HydrophobicContact CB-CB 3.74Å; C189-C313 WeakPolarHBondContact CB-SG 3.2Å; C189-C313 WeakPolarHBondContact SG-CA 3.37Å; C189-C313 WeakPolarHBondContact SG-CB 3.46Å; C189-C313 CovalentContact SG-SG 2.03Å; C189-C313 PolarHBondContact SG-SG 2.78Å; Y193-C313 HydrophobicContact CD2-CB 4.13Å; A195-C313 HydrophobicContact CB-CB 4.16Å; T196-C313 CarbonylContact O-C 3.52Å; Y311-C313 VanDerWaalsContact CD2-SG 3.52Å; Y311-C313 WeakPolarHBondContact CE2-SG 3.04Å
314G97Very high87.6Confident0 Ų052.1 Ų52.10%027%0.265CS..EExtended strand (participates in β ladder)trans-147.3147.9179.300000112.6Y167 C168 A195 T196 S198Y167-G314 VanDerWaalsContact CE1-CA 3.47Å; Y167-G314 VanDerWaalsContact CZ-C 3.41Å; Y167-G314 PolarHBondContact OH-O 2.88Å; Y167-G314 VanDerWaalsContact OH-O 3.13Å; C168-G314 CarbonylContact O-C 3.55Å; C168-G314 WeakPolarHBondContact O-CA 3.25Å; A195-G314 WeakPolarHBondContact CB-O 3.42Å; T196-G314 PolarHBondContact N-O 3.4Å; T196-G314 PolarHBondContact O-N 2.7Å; S198-G314 PolarHBondContact OG-N 3.18Å
315R95.8Very high87.5Confident21 Ų2153.6 Ų53.68%0.07927%0.271CS..EExtended strand (participates in β ladder)trans-147.2158.3174.763.7-175.9-71.5165-5.1110.7W157 Y167 C168 Y193 A195 A317 N321W157-R315 HydrophobicContact CE3-CG 4.23Å; W157-R315 HydrophobicContact CH2-CG 3.84Å; W157-R315 HydrophobicContact CZ2-CG 4.46Å; W157-R315 HydrophobicContact CZ3-CG 3.7Å; Y167-R315 VanDerWaalsContact CD2-C 3.43Å; Y167-R315 WeakPolarHBondContact CD2-O 3.48Å; Y167-R315 WeakPolarHBondContact CE2-O 3.4Å; Y167-R315 PolarHBondContact OH-N 3.04Å; C168-R315 HydrophobicContact CB-CG 4.24Å; C168-R315 PolarHBondContact N-O 2.85Å; C168-R315 PolarHBondContact O-N 2.77Å; Y193-R315 PolarHBondContact O-NH1 3.31Å; A195-R315 HydrophobicContact CB-CB 4.12Å; R315-A317 PolarHBondContact O-N 3.31Å; R315-N321 PolarHBondContact NH2-OD1 2.86Å
316E95.4Very high87.5Confident139 Ų13952.4 Ų52.465%0.6526%0.256SS*.EExtended strand (participates in β ladder)trans-55.3135.3171.6-69174-172.700109.9Y167 V319Y167-E316 HydrophobicContact CE2-CG 4.44Å; E316-V319 HydrophobicContact CB-CG2 3.55Å; E316-V319 WeakPolarHBondContact O-CG2 3.29Å
317A94.3Very high87.2Confident10 Ų1053.6 Ų53.68%0.08326%0.261CS..THydrogen-bonded Turntrans-74.5164.5170.900000109.9A151 Y159 D166 C168 R315 V319A151-A317 HydrophobicContact CB-CB 4.27Å; A151-A317 CarbonylContact O-C 3.55Å; A151-A317 WeakPolarHBondContact O-CA 3.42Å; Y159-A317 HydrophobicContact CD2-CB 4.34Å; Y159-A317 HydrophobicContact CE2-CB 4.32Å; D166-A317 HydrophobicContact CB-CB 3.7Å; D166-A317 WeakPolarHBondContact O-CB 3.49Å; D166-A317 PolarHBondContact O-N 3.02Å; C168-A317 VanDerWaalsContact SG-CB 3.53Å; R315-A317 PolarHBondContact O-N 3.31Å; A317-V319 PolarHBondContact O-N 3.3Å
318W92Very high86.8Confident50 Ų5054.9 Ų54.919%0.18926%0.264CS..THydrogen-bonded Turntrans60.925.5177.4-44.8106.9000113.5L120 P128 D130 K149 A151 Y159 D166L120-W318 HydrophobicContact CD1-CH2 4.15Å; P128-W318 HydrophobicContact CB-CH2 4.05Å; P128-W318 HydrophobicContact CB-CZ2 4.34Å; P128-W318 HydrophobicContact CG-CH2 3.87Å; P128-W318 HydrophobicContact CG-CZ2 3.75Å; D130-W318 HydrophobicContact CB-CE3 4.44Å; D130-W318 HydrophobicContact CB-CH2 3.92Å; D130-W318 HydrophobicContact CB-CZ3 3.6Å; K149-W318 HydrophobicContact CD-CE3 4.1Å; K149-W318 WeakPolarHBondContact CE-O 3.24Å; K149-W318 HydrophobicContact CG-CE3 4.09Å; K149-W318 PolarHBondContact NZ-O 3.43Å; K149-W318 WeakPolarHBondContact O-CZ3 3.13Å; A151-W318 VanDerWaalsContact CA-CE3 3.42Å; A151-W318 HydrophobicContact CB-CD2 3.71Å; A151-W318 HydrophobicContact CB-CE3 3.82Å; A151-W318 HydrophobicContact CB-CG 4.49Å; A151-W318 HydrophobicContact CB-CH2 3.62Å; A151-W318 HydrophobicContact CB-CZ2 3.5Å; A151-W318 HydrophobicContact CB-CZ3 3.77Å; A151-W318 PolarHBondContact O-N 3.37Å; Y159-W318 HydrophobicContact CE2-CZ2 4.33Å; D166-W318 PolarHBondContact OD2-NE1 3.19Å
319V85.5Confident86.2Confident66 Ų6658.8 Ų58.840%0.428%0.283SS..  trans-90125.9177.8178.60000111E316 A317E316-V319 HydrophobicContact CB-CG2 3.55Å; E316-V319 WeakPolarHBondContact O-CG2 3.29Å; A317-V319 PolarHBondContact O-N 3.3Å
320W63.8Low85.5Confident177 Ų17762.3 Ų62.367%0.6730%0.3SS*.  trans-73.4123.6175.7-56.390.8000110.9K149K149-W320 HydrophobicContact CD-CH2 4.26Å; K149-W320 HydrophobicContact CD-CZ2 3.83Å
321N56.3Low84.6Confident113 Ų11367.5 Ų67.560%0.60433%0.325SS*.  trans-89.9103.8152.7-65-23.1000105.8R315R315-N321 PolarHBondContact NH2-OD1 2.86Å
322L40.1Very low83.3Confident234 Ų23473.6 Ų73.6100%1.22536%0.355SS*.  trans-65.70168.7-76.1166.2000110.7

Retrieved 322 of 322 residues in 168.8 ms (Link to these results)

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