A0A077ZAN4_TRITR Loading...

Protein tag isoform

AlphaFold DB , UniProt , Accession A0A077ZAN4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 284 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
1M35.3Very low33.5Very low235 Ų235147.6 Ų147.6100%1.15876%0.759SS**  01000-77.4179.4-171.800106.8V3M1-V3 PolarHBondContact O-N 3.26Å
2E30.6Very low35.3Very low194 Ų194149.8 Ų149.891%0.90776%0.759SS**  trans-72.5108.9171.6-95.6178.8142.700108.3V4E2-V4 PolarHBondContact O-N 3.24Å
3V27.4Very low38.3Very low105 Ų105146.9 Ų146.964%0.63675%0.747SS**  trans-80.198.8170.6179.60000106.4M1 H5M1-V3 PolarHBondContact O-N 3.26Å; V3-H5 PolarHBondContact O-N 3Å
4V29.7Very low41.4Very low105 Ų105137.9 Ų137.964%0.63670%0.702SS**  trans-70.198.7171.8-178.50000107.7E2 H6E2-V4 PolarHBondContact O-N 3.24Å; V4-H6 HydrophobicContact CG1-CB 4.42Å; V4-H6 WeakPolarHBondContact CG1-CD2 3.29Å; V4-H6 PolarHBondContact O-N 2.9Å
5H30.3Very low44.4Very low156 Ų156130.9 Ų130.972%0.72267%0.671SS**  trans-7266.3168.1-71.9-69000110.3V3 H7V3-H5 PolarHBondContact O-N 3Å; H5-H7 PolarHBondContact O-N 3.14Å; H5-H7 VanDerWaalsContact O-N 3.14Å
6H29.2Very low46.9Very low165 Ų165129.6 Ų129.676%0.76466%0.659SS**  trans-75.599.8158.5-85-49.1000107.2V4V4-H6 HydrophobicContact CG1-CB 4.42Å; V4-H6 WeakPolarHBondContact CG1-CD2 3.29Å; V4-H6 PolarHBondContact O-N 2.9Å
7H26.9Very low49.2Very low156 Ų156124.2 Ų124.272%0.72263%0.63SS**  trans-47.2129.5165.4-73.8-10.4000108.8H5 V9H5-H7 PolarHBondContact O-N 3.14Å; H5-H7 VanDerWaalsContact O-N 3.14Å; H7-V9 VanDerWaalsContact C-N 3.34Å; H7-V9 PolarHBondContact O-N 3.42Å
8P32.6Very low51.7Low104 Ų104117.9 Ų117.968%0.67560%0.597SS**  trans-63.7103.3172.626.4-29.9000106.3F10P8-F10 VanDerWaalsContact C-N 3.33Å; P8-F10 PolarHBondContact O-N 2.8Å
9V34.1Very low53.9Low122 Ų122115.4 Ų115.474%0.73958%0.58SS**  trans-63.7105.4165.9179.90000103.9H7 V11H7-V9 VanDerWaalsContact C-N 3.34Å; H7-V9 PolarHBondContact O-N 3.42Å; V9-V11 VanDerWaalsContact C-N 3.29Å; V9-V11 PolarHBondContact O-N 3.26Å
10F40.7Very low55.8Low191 Ų191111.9 Ų111.984%0.83856%0.561SS**  trans-53.8103.4167.5-75.4-86.9000105.9P8 K12P8-F10 VanDerWaalsContact C-N 3.33Å; P8-F10 PolarHBondContact O-N 2.8Å; F10-K12 VanDerWaalsContact C-N 3.35Å; F10-K12 PolarHBondContact O-N 3.29Å
11V51.5Low57.5Low91 Ų91109.1 Ų109.155%0.55255%0.551SS**  trans-61.3104.5-177.6178.60000105.1V9 D13 Y106V9-V11 VanDerWaalsContact C-N 3.29Å; V9-V11 PolarHBondContact O-N 3.26Å; V11-D13 PolarHBondContact O-N 2.97Å; V11-D13 VanDerWaalsContact O-N 3.11Å; V11-Y106 HydrophobicContact CG1-CD2 4.48Å; V11-Y106 HydrophobicContact CG2-CE2 4.11Å
12K55.9Low60.1Low174 Ų174103.5 Ų103.576%0.75754%0.535SS*.  trans-48.3122.3-179.5-160.2175.8-174.3-179.60106.8F10 T14F10-K12 VanDerWaalsContact C-N 3.35Å; F10-K12 PolarHBondContact O-N 3.29Å; K12-T14 VanDerWaalsContact C-N 3.3Å; K12-T14 WeakPolarHBondContact O-CG2 3.13Å; K12-T14 PolarHBondContact O-N 3.19Å
13D74Confident62.9Low112 Ų11295.4 Ų95.460%0.59950%0.497SS*.  trans-66.196.4179.2-176.67.4000108.8V11 S15V11-D13 PolarHBondContact O-N 2.97Å; V11-D13 VanDerWaalsContact O-N 3.11Å; D13-S15 VanDerWaalsContact C-N 3.31Å; D13-S15 WeakPolarHBondContact OD1-CB 3.4Å; D13-S15 PolarHBondContact OD1-N 3.48Å; D13-S15 PolarHBondContact OD1-OG 3.18Å; D13-S15 PolarHBondContact OD2-OG 3.15Å
14T80.9Confident65.9Low20 Ų2091.9 Ų91.912%0.12348%0.478CS..  trans-92.44.9178.454.30000111.6K12 K16 F17 W18K12-T14 VanDerWaalsContact C-N 3.3Å; K12-T14 WeakPolarHBondContact O-CG2 3.13Å; K12-T14 PolarHBondContact O-N 3.19Å; T14-K16 PolarHBondContact O-N 3.28Å; T14-K16 VanDerWaalsContact O-N 3.13Å; T14-F17 HydrophobicContact CG2-CD2 4.16Å; T14-F17 HydrophobicContact CG2-CE2 4.39Å; T14-F17 WeakPolarHBondContact O-CB 3.21Å; T14-F17 PolarHBondContact O-N 3.44Å; T14-W18 VanDerWaalsContact C-NE1 3.31Å; T14-W18 PolarHBondContact O-NE1 2.98Å; T14-W18 PolarHBondContact OG1-NE1 3.35Å; T14-W18 VanDerWaalsContact OG1-NE1 3.1Å
15S87Confident68.8Low33 Ų3392.1 Ų92.123%0.23147%0.467CS..Hα-helixtrans-53.2-38.8-175.363.80000113D13 F17 W18 Y19D13-S15 VanDerWaalsContact C-N 3.31Å; D13-S15 WeakPolarHBondContact OD1-CB 3.4Å; D13-S15 PolarHBondContact OD1-N 3.48Å; D13-S15 PolarHBondContact OD1-OG 3.18Å; D13-S15 PolarHBondContact OD2-OG 3.15Å; S15-F17 PolarHBondContact O-N 3.21Å; S15-W18 VanDerWaalsContact CA-CZ2 3.5Å; S15-W18 PolarHBondContact O-N 2.96Å; S15-Y19 WeakPolarHBondContact O-CA 3.17Å; S15-Y19 VanDerWaalsContact O-CB 3.24Å; S15-Y19 WeakPolarHBondContact O-CB 3.41Å; S15-Y19 PolarHBondContact O-N 2.84Å
16K84.3Confident71.7Confident110 Ų11090.2 Ų90.248%0.47846%0.459SS..Hα-helixtrans-56.3-21.5175.568.1-176.3-179.9-176.40115.4T14 K20T14-K16 PolarHBondContact O-N 3.28Å; T14-K16 VanDerWaalsContact O-N 3.13Å; K16-K20 WeakPolarHBondContact O-CE 3.34Å; K16-K20 PolarHBondContact O-NZ 3.11Å
17F86.8Confident74.5Confident39 Ų3987.4 Ų87.417%0.17145%0.446CS..Hα-helixtrans-89.6-40.3-179.9-57.7-42.4000112.1T14 S15 P122 E123 D125 P126T14-F17 HydrophobicContact CG2-CD2 4.16Å; T14-F17 HydrophobicContact CG2-CE2 4.39Å; T14-F17 WeakPolarHBondContact O-CB 3.21Å; T14-F17 PolarHBondContact O-N 3.44Å; S15-F17 PolarHBondContact O-N 3.21Å; F17-P122 HydrophobicContact CB-CB 4.17Å; F17-P122 HydrophobicContact CB-CG 3.71Å; F17-P122 WeakPolarHBondContact CD2-O 3.5Å; F17-E123 WeakPolarHBondContact CE2-O 3.45Å; F17-D125 HydrophobicContact CD1-CB 4.16Å; F17-P126 WeakPolarHBondContact O-CD 3.46Å; F17-P126 WeakPolarHBondContact O-CG 3.33Å
18W92.9Very high77.6Confident11 Ų1180 Ų804%0.04241%0.411CS..Hα-helixtrans-102.4-20.6-176.651.7-98.9000114.1T14 S15 F40 I41 I42 L101 V105 P122T14-W18 VanDerWaalsContact C-NE1 3.31Å; T14-W18 PolarHBondContact O-NE1 2.98Å; T14-W18 PolarHBondContact OG1-NE1 3.35Å; T14-W18 VanDerWaalsContact OG1-NE1 3.1Å; S15-W18 VanDerWaalsContact CA-CZ2 3.5Å; S15-W18 PolarHBondContact O-N 2.96Å; W18-F40 HydrophobicContact CB-CD2 4.22Å; W18-F40 HydrophobicContact CB-CE1 4.36Å; W18-F40 HydrophobicContact CB-CE2 3.56Å; W18-F40 HydrophobicContact CB-CZ 3.62Å; W18-F40 AromaticContact CD2-CE2 3.98Å; W18-F40 HydrophobicContact CD2-CE2 3.98Å; W18-F40 HydrophobicContact CD2-CZ 4.09Å; W18-F40 HydrophobicContact CE3-CE2 4.09Å; W18-F40 AromaticContact CG-CE2 3.79Å; W18-F40 HydrophobicContact CG-CE2 3.79Å; W18-F40 AromaticContact CG-CZ 3.64Å; W18-F40 HydrophobicContact CG-CZ 3.64Å; W18-I41 CarbonylContact O-C 3.43Å; W18-I41 WeakPolarHBondContact O-CA 3.34Å; W18-I42 HydrophobicContact CE3-CB 4.42Å; W18-I42 HydrophobicContact CE3-CD1 4.14Å; W18-I42 HydrophobicContact CE3-CG1 4.4Å; W18-I42 HydrophobicContact CZ3-CD1 4.12Å; W18-I42 PolarHBondContact O-N 2.99Å; W18-L101 HydrophobicContact CZ3-CD2 3.93Å; W18-L101 HydrophobicContact CZ3-CG 4.16Å; W18-V105 HydrophobicContact CD2-CG1 4.41Å; W18-V105 HydrophobicContact CE3-CG2 4.18Å; W18-V105 HydrophobicContact CH2-CB 4.47Å; W18-V105 HydrophobicContact CH2-CG2 4.09Å; W18-V105 HydrophobicContact CZ2-CB 4.47Å; W18-V105 HydrophobicContact CZ2-CG1 4.24Å; W18-V105 HydrophobicContact CZ2-CG2 4.48Å; W18-V105 HydrophobicContact CZ3-CG2 3.91Å; W18-P122 HydrophobicContact CB-CG 3.9Å; W18-P122 HydrophobicContact CG-CG 4.35Å
19Y94.5Very high80.4Confident69 Ų6976.4 Ų76.427%0.27139%0.386SS..BIsolated β-bridgetrans-98.3110.3176-172.9-123000110.8S15 P21 I42 D44 F52 L101S15-Y19 WeakPolarHBondContact O-CA 3.17Å; S15-Y19 VanDerWaalsContact O-CB 3.24Å; S15-Y19 WeakPolarHBondContact O-CB 3.41Å; S15-Y19 PolarHBondContact O-N 2.84Å; Y19-P21 HydrophobicContact CE1-CB 4.27Å; Y19-P21 HydrophobicContact CE1-CG 4.23Å; Y19-I42 CarbonylContact C-O 3.56Å; Y19-I42 WeakPolarHBondContact CA-O 3.19Å; Y19-I42 HydrophobicContact CD2-CB 4.14Å; Y19-I42 HydrophobicContact CD2-CG2 3.99Å; Y19-I42 HydrophobicContact CE2-CG2 4.25Å; Y19-D44 PolarHBondContact OH-OD1 3.29Å; Y19-F52 AromaticContact CE2-CD1 3.99Å; Y19-F52 HydrophobicContact CE2-CD1 3.99Å; Y19-F52 HydrophobicContact CE2-CE1 4.12Å; Y19-F52 WeakPolarHBondContact OH-CE1 3.5Å; Y19-L101 HydrophobicContact CD2-CD2 3.85Å; Y19-L101 HydrophobicContact CE2-CD2 3.95Å
20K92.3Very high83Confident45 Ų4573.9 Ų73.920%0.19637%0.374CS..  trans-127.384.3-179.1-59.9-60.8-171.2-176.10108.1K16 S22 I23 I41 I42 R43 D125K16-K20 WeakPolarHBondContact O-CE 3.34Å; K16-K20 PolarHBondContact O-NZ 3.11Å; K20-S22 VanDerWaalsContact C-N 3.25Å; K20-S22 PolarHBondContact O-N 3.08Å; K20-I23 HydrophobicContact CB-CB 3.92Å; K20-I23 HydrophobicContact CB-CG2 3.67Å; K20-I23 VanDerWaalsContact O-CG2 3.27Å; K20-I23 WeakPolarHBondContact O-CG2 3.42Å; K20-I23 PolarHBondContact O-N 2.64Å; K20-I41 HydrophobicContact CB-CG2 4.12Å; K20-I41 HydrophobicContact CG-CG2 4.2Å; K20-I42 PolarHBondContact N-O 3.34Å; K20-R43 WeakPolarHBondContact O-CA 3.47Å; K20-R43 VanDerWaalsContact O-CB 3.23Å; K20-R43 WeakPolarHBondContact O-CB 3.44Å; K20-D125 IonicContact NZ-OD1 3.79Å; K20-D125 IonicContact NZ-OD2 3.81Å; K20-D125 PolarHBondContact NZ-OD2 3.16Å
21P91.5Very high85.3Confident54 Ų5466 Ų6635%0.35134%0.342SS..THydrogen-bonded Turntrans-57.5-37.3-169.819.2-31.3000113.2Y19 D44Y19-P21 HydrophobicContact CE1-CB 4.27Å; Y19-P21 HydrophobicContact CE1-CG 4.23Å; P21-D44 VanDerWaalsContact CB-OD2 3.3Å; P21-D44 WeakPolarHBondContact CB-OD2 3.45Å; P21-D44 WeakPolarHBondContact O-CB 3.34Å; P21-D44 PolarHBondContact O-N 3.05Å; P21-D44 VanDerWaalsContact O-N 3.16Å
22S90.2Very high87.2Confident117 Ų11761.7 Ų61.782%0.81832%0.315SS*.THydrogen-bonded Turntrans-93.2-4.6-174.260.70000115.7K20K20-S22 VanDerWaalsContact C-N 3.25Å; K20-S22 PolarHBondContact O-N 3.08Å
23I89.3Confident88.6Confident24 Ų2457 Ų5712%0.12330%0.295CS..  trans-68.7138.3-179.1-162.4171.7000109.8K20 E27 A28 V31 I41 R43K20-I23 HydrophobicContact CB-CB 3.92Å; K20-I23 HydrophobicContact CB-CG2 3.67Å; K20-I23 VanDerWaalsContact O-CG2 3.27Å; K20-I23 WeakPolarHBondContact O-CG2 3.42Å; K20-I23 PolarHBondContact O-N 2.64Å; I23-E27 HydrophobicContact CD1-CB 3.94Å; I23-E27 HydrophobicContact CG1-CB 3.46Å; I23-E27 VanDerWaalsContact CG1-CB 3.46Å; I23-E27 HydrophobicContact CG1-CG 4.49Å; I23-A28 HydrophobicContact CD1-CB 4.46Å; I23-A28 HydrophobicContact CG2-CB 4.43Å; I23-V31 HydrophobicContact CD1-CG2 4.26Å; I23-I41 HydrophobicContact CD1-CD1 4.24Å; I23-I41 HydrophobicContact CG2-CG2 3.98Å; I23-R43 HydrophobicContact CG2-CB 3.74Å; I23-R43 HydrophobicContact CG2-CG 4.5Å; I23-R43 WeakPolarHBondContact O-CD 3.45Å
24S89.9Confident89Confident32 Ų3256.2 Ų56.222%0.22429%0.291CS..  trans-72.5165.8174.465.90000111.9E26 E27 A28S24-E26 VanDerWaalsContact C-N 3.3Å; S24-E26 PolarHBondContact O-N 3.29Å; S24-E27 VanDerWaalsContact CB-OE2 3.29Å; S24-E27 WeakPolarHBondContact CB-OE2 3.47Å; S24-E27 PolarHBondContact N-OE2 2.94Å; S24-E27 VanDerWaalsContact OG-CB 3.28Å; S24-E27 WeakPolarHBondContact OG-CB 3.28Å; S24-E27 WeakPolarHBondContact OG-CG 3.25Å; S24-E27 PolarHBondContact OG-N 2.96Å; S24-E27 VanDerWaalsContact OG-N 3.13Å; S24-E27 PolarHBondContact OG-OE2 3.35Å; S24-A28 WeakPolarHBondContact O-CB 3.18Å; S24-A28 PolarHBondContact O-N 3.13Å
25R90.7Very high89.2Confident110 Ų11057.4 Ų57.442%0.41529%0.294SS..Hα-helixtrans-61.1-44.1175.5-172.6179.5176.7-108.80.1110.7A28 I29 H77R25-A28 PolarHBondContact O-N 2.82Å; R25-I29 HydrophobicContact CG-CD1 4.44Å; R25-I29 WeakPolarHBondContact O-CG1 3.3Å; R25-I29 PolarHBondContact O-N 2.88Å; R25-H77 VanDerWaalsContact CG-NE2 3.33Å; R25-H77 WeakPolarHBondContact CG-NE2 3.3Å
26E90.2Very high89.3Confident116 Ų11662.1 Ų62.154%0.54231%0.313SS..Hα-helixtrans-68-41.4-176.8-67.163.3-137.300111S24 I29 S30S24-E26 VanDerWaalsContact C-N 3.3Å; S24-E26 PolarHBondContact O-N 3.29Å; E26-I29 WeakPolarHBondContact O-CB 3.45Å; E26-I29 PolarHBondContact O-N 3.16Å; E26-S30 PolarHBondContact O-N 3.39Å
27E88.7Confident89.7Confident105 Ų10559.7 Ų59.749%0.49131%0.308SS..Hα-helixtrans-64-43.1173.2-73.8165.6139.600111.7I23 S24 I29 S30 V31I23-E27 HydrophobicContact CD1-CB 3.94Å; I23-E27 HydrophobicContact CG1-CB 3.46Å; I23-E27 VanDerWaalsContact CG1-CB 3.46Å; I23-E27 HydrophobicContact CG1-CG 4.49Å; S24-E27 VanDerWaalsContact CB-OE2 3.29Å; S24-E27 WeakPolarHBondContact CB-OE2 3.47Å; S24-E27 PolarHBondContact N-OE2 2.94Å; S24-E27 VanDerWaalsContact OG-CB 3.28Å; S24-E27 WeakPolarHBondContact OG-CB 3.28Å; S24-E27 WeakPolarHBondContact OG-CG 3.25Å; S24-E27 PolarHBondContact OG-N 2.96Å; S24-E27 VanDerWaalsContact OG-N 3.13Å; S24-E27 PolarHBondContact OG-OE2 3.35Å; E27-I29 VanDerWaalsContact C-N 3.29Å; E27-I29 PolarHBondContact O-N 3.45Å; E27-S30 WeakPolarHBondContact O-CB 3.46Å; E27-S30 PolarHBondContact O-N 2.94Å; E27-S30 VanDerWaalsContact O-N 3.07Å; E27-V31 WeakPolarHBondContact O-CG2 3.38Å; E27-V31 PolarHBondContact O-N 3.37Å
28A92Very high90Very high0 Ų057.9 Ų57.90%030%0.3CS..Hα-helixtrans-59.6-40.2176.200000111.9I23 S24 R25 V31 L32 A55I23-A28 HydrophobicContact CD1-CB 4.46Å; I23-A28 HydrophobicContact CG2-CB 4.43Å; S24-A28 WeakPolarHBondContact O-CB 3.18Å; S24-A28 PolarHBondContact O-N 3.13Å; R25-A28 PolarHBondContact O-N 2.82Å; A28-V31 PolarHBondContact O-N 3.43Å; A28-L32 WeakPolarHBondContact O-CB 3.3Å; A28-L32 VanDerWaalsContact O-CG 3.3Å; A28-L32 WeakPolarHBondContact O-CG 3.24Å; A28-L32 PolarHBondContact O-N 3.48Å; A28-L32 VanDerWaalsContact O-N 3.09Å; A28-A55 HydrophobicContact CB-CB 4.06Å
29I91.3Very high90.1Very high30 Ų3058.1 Ų58.115%0.15430%0.304CS..Hα-helixtrans-61-48.1172.2-67.1165000110.5R25 E26 E27 V31 L32 K33 V75R25-I29 HydrophobicContact CG-CD1 4.44Å; R25-I29 WeakPolarHBondContact O-CG1 3.3Å; R25-I29 PolarHBondContact O-N 2.88Å; E26-I29 WeakPolarHBondContact O-CB 3.45Å; E26-I29 PolarHBondContact O-N 3.16Å; E27-I29 VanDerWaalsContact C-N 3.29Å; E27-I29 PolarHBondContact O-N 3.45Å; I29-V31 VanDerWaalsContact C-N 3.28Å; I29-V31 PolarHBondContact O-N 2.88Å; I29-L32 PolarHBondContact O-N 2.82Å; I29-L32 VanDerWaalsContact O-N 3.15Å; I29-K33 WeakPolarHBondContact O-CB 3.43Å; I29-K33 PolarHBondContact O-N 3.14Å; I29-V75 HydrophobicContact CG1-CB 4.21Å; I29-V75 HydrophobicContact CG1-CG1 4.07Å; I29-V75 HydrophobicContact CG2-CB 4.49Å; I29-V75 HydrophobicContact CG2-CG2 4.32Å
30S88.3Confident90.1Very high68 Ų6855 Ų5548%0.47629%0.292SS..Hα-helixtrans-59-39.7-179.6-166.30000112.4E26 E27 K33E26-S30 PolarHBondContact O-N 3.39Å; E27-S30 WeakPolarHBondContact O-CB 3.46Å; E27-S30 PolarHBondContact O-N 2.94Å; E27-S30 VanDerWaalsContact O-N 3.07Å; S30-K33 WeakPolarHBondContact O-CG 3.5Å
31V88.5Confident90.3Very high27 Ų2752.9 Ų52.916%0.16428%0.283CS..Hα-helixtrans-67-39176.6172.50000111.9I23 E27 A28 I29 K35 I41 P126 A127I23-V31 HydrophobicContact CD1-CG2 4.26Å; E27-V31 WeakPolarHBondContact O-CG2 3.38Å; E27-V31 PolarHBondContact O-N 3.37Å; A28-V31 PolarHBondContact O-N 3.43Å; I29-V31 VanDerWaalsContact C-N 3.28Å; I29-V31 PolarHBondContact O-N 2.88Å; V31-K35 WeakPolarHBondContact O-CE 3.33Å; V31-K35 VanDerWaalsContact O-CG 3.27Å; V31-K35 WeakPolarHBondContact O-CG 3.32Å; V31-I41 HydrophobicContact CB-CD1 3.96Å; V31-I41 HydrophobicContact CG1-CD1 3.62Å; V31-I41 HydrophobicContact CG2-CD1 4.48Å; V31-P126 VanDerWaalsContact CG1-C 3.46Å; V31-P126 HydrophobicContact CG1-CB 3.95Å; V31-P126 HydrophobicContact CG1-CG 4.37Å; V31-P126 WeakPolarHBondContact CG1-O 3.4Å; V31-A127 HydrophobicContact CG1-CB 4.3Å; V31-A127 HydrophobicContact CG2-CB 3.95Å
32L91.4Very high90.6Very high0 Ų050.3 Ų50.30%027%0.267CS..Hα-helixtrans-91.6-23.2-171.6-68.2175.4000114.5A28 I29 D34 K35 A39 I41 A55 K57 V75A28-L32 WeakPolarHBondContact O-CB 3.3Å; A28-L32 VanDerWaalsContact O-CG 3.3Å; A28-L32 WeakPolarHBondContact O-CG 3.24Å; A28-L32 PolarHBondContact O-N 3.48Å; A28-L32 VanDerWaalsContact O-N 3.09Å; I29-L32 PolarHBondContact O-N 2.82Å; I29-L32 VanDerWaalsContact O-N 3.15Å; L32-D34 PolarHBondContact O-N 2.82Å; L32-D34 VanDerWaalsContact O-N 3.09Å; L32-K35 PolarHBondContact O-N 2.83Å; L32-A39 HydrophobicContact CD2-CB 3.88Å; L32-I41 HydrophobicContact CD1-CB 4.47Å; L32-I41 HydrophobicContact CD1-CG1 4.45Å; L32-I41 HydrophobicContact CD2-CG1 4.34Å; L32-I41 HydrophobicContact CG-CD1 4.47Å; L32-I41 HydrophobicContact CG-CG1 4.44Å; L32-A55 HydrophobicContact CD1-CB 3.76Å; L32-A55 WeakPolarHBondContact CD1-O 3.32Å; L32-K57 HydrophobicContact CB-CB 4.47Å; L32-K57 WeakPolarHBondContact O-CD 3.31Å; L32-V75 HydrophobicContact CB-CG1 4.4Å; L32-V75 HydrophobicContact CB-CG2 4Å; L32-V75 HydrophobicContact CD1-CG1 4.11Å
33K86.3Confident90.8Very high75 Ų7545.6 Ų45.633%0.32623%0.231SC..THydrogen-bonded Turntrans-55.6-33.4-170.670-174177.4-179.50114I29 S30 K57 R71I29-K33 WeakPolarHBondContact O-CB 3.43Å; I29-K33 PolarHBondContact O-N 3.14Å; S30-K33 WeakPolarHBondContact O-CG 3.5Å; K33-K57 PolarHBondContact O-NZ 2.96Å; K33-R71 HydrophobicContact CB-CB 4.42Å
34D82.1Confident91.1Very high96 Ų9647.6 Ų47.651%0.51324%0.242SC..THydrogen-bonded Turntrans-104.49.7-179.1-63.5-53.2000113.3L32 R71L32-D34 PolarHBondContact O-N 2.82Å; L32-D34 VanDerWaalsContact O-N 3.09Å; D34-R71 WeakPolarHBondContact OD1-CD 3.39Å; D34-R71 IonicContact OD1-CZ 2.82Å; D34-R71 IonicContact OD1-NH1 2.7Å; D34-R71 PolarHBondContact OD1-NH1 2.76Å
35K86Confident91.2Very high45 Ų4546.7 Ų46.720%0.19624%0.236CC..SBendtrans-91.9167.9175.5-55.2-65-175.9175.30111.1V31 L32 A39 K57 P126 L128V31-K35 WeakPolarHBondContact O-CE 3.33Å; V31-K35 VanDerWaalsContact O-CG 3.27Å; V31-K35 WeakPolarHBondContact O-CG 3.32Å; L32-K35 PolarHBondContact O-N 2.83Å; K35-A39 HydrophobicContact CB-CB 3.69Å; K35-A39 HydrophobicContact CG-CB 4.49Å; K35-K57 WeakPolarHBondContact O-CE 3.3Å; K35-K57 WeakPolarHBondContact O-CG 3.33Å; K35-P126 WeakPolarHBondContact CE-O 3.27Å; K35-P126 PolarHBondContact NZ-O 3.45Å; K35-L128 PolarHBondContact NZ-O 2.79Å
36Q88.9Confident91Very high132 Ų13247.3 Ų47.362%0.61725%0.247SC*.PPolyproline II helixtrans-70.6152.7176.668.1-175.8-100112.3G38 A39 K57 L120Q36-G38 PolarHBondContact O-N 2.79Å; Q36-A39 VanDerWaalsContact O-CB 3.23Å; Q36-A39 WeakPolarHBondContact O-CB 3.47Å; Q36-A39 PolarHBondContact O-N 2.83Å; Q36-A39 VanDerWaalsContact O-N 3.14Å; Q36-K57 WeakPolarHBondContact O-CG 3.14Å; Q36-L120 HydrophobicContact CG-CD1 3.9Å; Q36-L120 VanDerWaalsContact NE2-CD1 3.3Å
37P91.9Very high90.7Very high59 Ų5946.2 Ų46.238%0.38325%0.252SS..THydrogen-bonded Turntrans-51.3138170.2-26.536.2000112.2K57 A59 L120P37-K57 CarbonylContact C-O 3.6Å; P37-K57 WeakPolarHBondContact CA-O 3.49Å; P37-A59 HydrophobicContact CB-CB 3.98Å; P37-A59 HydrophobicContact CG-CB 3.64Å; P37-L120 WeakPolarHBondContact O-CD1 3.5Å
38G93.3Very high90.8Very high1 Ų145.9 Ų45.91%0.0125%0.249CC..THydrogen-bonded Turntrans93.1-16.4-174.300000114.5Q36 K57 K118 L120Q36-G38 PolarHBondContact O-N 2.79Å; G38-K57 PolarHBondContact N-O 3.49Å; G38-K118 VanDerWaalsContact CA-O 3.25Å; G38-K118 WeakPolarHBondContact CA-O 3.28Å; G38-L120 PolarHBondContact O-N 2.82Å
39A94Very high90.6Very high15 Ų1552.1 Ų52.112%0.12429%0.29CS..  trans-63.3138170.800000110.7L32 K35 Q36 K57L32-A39 HydrophobicContact CD2-CB 3.88Å; K35-A39 HydrophobicContact CB-CB 3.69Å; K35-A39 HydrophobicContact CG-CB 4.49Å; Q36-A39 VanDerWaalsContact O-CB 3.23Å; Q36-A39 WeakPolarHBondContact O-CB 3.47Å; Q36-A39 PolarHBondContact O-N 2.83Å; Q36-A39 VanDerWaalsContact O-N 3.14Å; A39-K57 HydrophobicContact CB-CB 4.29Å; A39-K57 WeakPolarHBondContact O-CB 3.23Å; A39-K57 PolarHBondContact O-N 3.39Å
40F96.4Very high90.6Very high4 Ų453.2 Ų53.22%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-148.2159.4-171.975.5-78.2000113.7W18 I42 L54 A55 L56 V105 L119 L120 L121W18-F40 HydrophobicContact CB-CD2 4.22Å; W18-F40 HydrophobicContact CB-CE1 4.36Å; W18-F40 HydrophobicContact CB-CE2 3.56Å; W18-F40 HydrophobicContact CB-CZ 3.62Å; W18-F40 AromaticContact CD2-CE2 3.98Å; W18-F40 HydrophobicContact CD2-CE2 3.98Å; W18-F40 HydrophobicContact CD2-CZ 4.09Å; W18-F40 HydrophobicContact CE3-CE2 4.09Å; W18-F40 AromaticContact CG-CE2 3.79Å; W18-F40 HydrophobicContact CG-CE2 3.79Å; W18-F40 AromaticContact CG-CZ 3.64Å; W18-F40 HydrophobicContact CG-CZ 3.64Å; F40-I42 HydrophobicContact CD2-CD1 4.5Å; F40-I42 HydrophobicContact CD2-CG1 4.12Å; F40-I42 HydrophobicContact CE2-CD1 4.26Å; F40-I42 HydrophobicContact CE2-CG1 4.25Å; F40-L54 HydrophobicContact CB-CD1 3.95Å; F40-L54 HydrophobicContact CD2-CD1 3.73Å; F40-L54 HydrophobicContact CG-CD1 4.24Å; F40-A55 CarbonylContact C-O 3.56Å; F40-A55 WeakPolarHBondContact CA-O 3.28Å; F40-A55 WeakPolarHBondContact CB-O 3.41Å; F40-L56 HydrophobicContact CB-CD1 4.12Å; F40-V105 HydrophobicContact CE2-CG1 3.97Å; F40-V105 HydrophobicContact CE2-CG2 4.07Å; F40-V105 HydrophobicContact CZ-CG1 3.55Å; F40-V105 HydrophobicContact CZ-CG2 4.49Å; F40-L119 HydrophobicContact CB-CD2 3.86Å; F40-L119 HydrophobicContact CD1-CB 3.82Å; F40-L119 HydrophobicContact CD1-CD1 4.45Å; F40-L119 HydrophobicContact CD1-CD2 3.96Å; F40-L119 HydrophobicContact CD1-CG 4.28Å; F40-L119 HydrophobicContact CD2-CD1 4.18Å; F40-L119 HydrophobicContact CD2-CD2 4.32Å; F40-L119 HydrophobicContact CE1-CB 3.79Å; F40-L119 HydrophobicContact CE1-CD1 4.42Å; F40-L119 HydrophobicContact CE2-CD1 4.13Å; F40-L119 HydrophobicContact CG-CB 4.43Å; F40-L119 HydrophobicContact CG-CD1 4.35Å; F40-L119 HydrophobicContact CG-CD2 3.78Å; F40-L119 HydrophobicContact CG-CG 4.4Å; F40-L119 HydrophobicContact CZ-CB 4.38Å; F40-L119 HydrophobicContact CZ-CD1 4.27Å; F40-L120 WeakPolarHBondContact CE1-O 3.09Å; F40-L121 HydrophobicContact CZ-CD2 4.31Å
41I96Very high90.9Very high1 Ų150.3 Ų50.31%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-137.1138.6170-68.2-179.9000108.4W18 K20 I23 V31 L32 A55 P126W18-I41 CarbonylContact O-C 3.43Å; W18-I41 WeakPolarHBondContact O-CA 3.34Å; K20-I41 HydrophobicContact CB-CG2 4.12Å; K20-I41 HydrophobicContact CG-CG2 4.2Å; I23-I41 HydrophobicContact CD1-CD1 4.24Å; I23-I41 HydrophobicContact CG2-CG2 3.98Å; V31-I41 HydrophobicContact CB-CD1 3.96Å; V31-I41 HydrophobicContact CG1-CD1 3.62Å; V31-I41 HydrophobicContact CG2-CD1 4.48Å; L32-I41 HydrophobicContact CD1-CB 4.47Å; L32-I41 HydrophobicContact CD1-CG1 4.45Å; L32-I41 HydrophobicContact CD2-CG1 4.34Å; L32-I41 HydrophobicContact CG-CD1 4.47Å; L32-I41 HydrophobicContact CG-CG1 4.44Å; I41-A55 PolarHBondContact N-O 3.14Å; I41-A55 PolarHBondContact O-N 2.84Å; I41-P126 HydrophobicContact CD1-CG 4.19Å; I41-P126 HydrophobicContact CG1-CG 4.17Å
42I96.9Very high91.3Very high0 Ų050.6 Ų50.60%029%0.288CS..EExtended strand (participates in β ladder)trans-109.9135.8168.8-57.8-178.7000108.9W18 Y19 K20 F40 F52 G53 L54 I80 L101 V105W18-I42 HydrophobicContact CE3-CB 4.42Å; W18-I42 HydrophobicContact CE3-CD1 4.14Å; W18-I42 HydrophobicContact CE3-CG1 4.4Å; W18-I42 HydrophobicContact CZ3-CD1 4.12Å; W18-I42 PolarHBondContact O-N 2.99Å; Y19-I42 CarbonylContact C-O 3.56Å; Y19-I42 WeakPolarHBondContact CA-O 3.19Å; Y19-I42 HydrophobicContact CD2-CB 4.14Å; Y19-I42 HydrophobicContact CD2-CG2 3.99Å; Y19-I42 HydrophobicContact CE2-CG2 4.25Å; K20-I42 PolarHBondContact N-O 3.34Å; F40-I42 HydrophobicContact CD2-CD1 4.5Å; F40-I42 HydrophobicContact CD2-CG1 4.12Å; F40-I42 HydrophobicContact CE2-CD1 4.26Å; F40-I42 HydrophobicContact CE2-CG1 4.25Å; I42-F52 HydrophobicContact CG2-CB 3.76Å; I42-F52 HydrophobicContact CG2-CG 4.35Å; I42-G53 WeakPolarHBondContact CA-O 3.27Å; I42-L54 HydrophobicContact CD1-CD1 4.25Å; I42-L54 HydrophobicContact CG1-CB 4.4Å; I42-L54 HydrophobicContact CG1-CD1 3.7Å; I42-I80 HydrophobicContact CD1-CD1 4Å; I42-L101 HydrophobicContact CD1-CD1 3.84Å; I42-L101 HydrophobicContact CD1-CD2 4.33Å; I42-L101 HydrophobicContact CD1-CG 4.09Å; I42-L101 HydrophobicContact CG2-CD1 4.23Å; I42-L101 HydrophobicContact CG2-CD2 3.89Å; I42-V105 HydrophobicContact CD1-CG2 3.42Å; I42-V105 VanDerWaalsContact CD1-CG2 3.42Å
43R95.3Very high91.6Very high18 Ų1851 Ų517%0.06829%0.292CS..EExtended strand (participates in β ladder)trans-135.5167.7179.364.4172.6-170.298-4.4111K20 I23 N46 F52 G53K20-R43 WeakPolarHBondContact O-CA 3.47Å; K20-R43 VanDerWaalsContact O-CB 3.23Å; K20-R43 WeakPolarHBondContact O-CB 3.44Å; I23-R43 HydrophobicContact CG2-CB 3.74Å; I23-R43 HydrophobicContact CG2-CG 4.5Å; I23-R43 WeakPolarHBondContact O-CD 3.45Å; R43-N46 PolarHBondContact NH1-OD1 3.34Å; R43-F52 CarbonylContact O-C 3.54Å; R43-F52 VanDerWaalsContact O-CA 3.29Å; R43-F52 WeakPolarHBondContact O-CA 3.24Å; R43-F52 WeakPolarHBondContact O-CB 3.09Å; R43-G53 PolarHBondContact N-O 2.82Å; R43-G53 PolarHBondContact O-N 3.05Å
44D94.6Very high92.1Very high65 Ų6547.4 Ų47.435%0.34828%0.276SS..EExtended strand (participates in β ladder)trans-67.7141.6168.9-68-22.4000109.8Y19 P21 N46Y19-D44 PolarHBondContact OH-OD1 3.29Å; P21-D44 VanDerWaalsContact CB-OD2 3.3Å; P21-D44 WeakPolarHBondContact CB-OD2 3.45Å; P21-D44 WeakPolarHBondContact O-CB 3.34Å; P21-D44 PolarHBondContact O-N 3.05Å; P21-D44 VanDerWaalsContact O-N 3.16Å; D44-N46 PolarHBondContact O-N 3.47Å
45S92.2Very high92.7Very high14 Ų1443 Ų4310%0.09825%0.253CS..  trans-80.5120.8179.5-1800000110.8S47 F48 A51 L79S45-S47 VanDerWaalsContact C-N 3.31Å; S45-S47 PolarHBondContact OG-N 3.4Å; S45-F48 WeakPolarHBondContact CB-O 3.47Å; S45-F48 PolarHBondContact OG-N 3.42Å; S45-F48 VanDerWaalsContact OG-N 3.11Å; S45-A51 WeakPolarHBondContact CB-O 3.5Å; S45-A51 PolarHBondContact N-O 3.18Å; S45-L79 WeakPolarHBondContact OG-CD1 3.42Å
46N86.6Confident93.2Very high122 Ų12240.8 Ų40.865%0.65224%0.244SC*.SBendtrans-74.9-24.8174-61.3-1.6000112.2R43 D44R43-N46 PolarHBondContact NH1-OD1 3.34Å; D44-N46 PolarHBondContact O-N 3.47Å
47S84.9Confident93.5Very high94 Ų9435 Ų3566%0.65722%0.217SC*.SBendtrans-92.2-23.2-173.9-46.10000112.9S45S45-S47 VanDerWaalsContact C-N 3.31Å; S45-S47 PolarHBondContact OG-N 3.4Å
48F89.1Confident93.5Very high98 Ų9832.6 Ų32.643%0.4320%0.2SC..SBendtrans-135.796.9-177.1-66.1-83.5000108.7S45 G50 A51 L79S45-F48 WeakPolarHBondContact CB-O 3.47Å; S45-F48 PolarHBondContact OG-N 3.42Å; S45-F48 VanDerWaalsContact OG-N 3.11Å; F48-G50 PolarHBondContact O-N 2.76Å; F48-A51 HydrophobicContact CB-CB 3.83Å; F48-A51 WeakPolarHBondContact O-CB 3.37Å; F48-A51 PolarHBondContact O-N 2.85Å; F48-L79 HydrophobicContact CB-CD1 4.4Å; F48-L79 HydrophobicContact CB-CD2 4.15Å; F48-L79 HydrophobicContact CD1-CD2 4.39Å; F48-L79 HydrophobicContact CD2-CD1 3.77Å; F48-L79 HydrophobicContact CD2-CD2 3.43Å; F48-L79 VanDerWaalsContact CD2-CD2 3.43Å; F48-L79 HydrophobicContact CD2-CG 4.27Å; F48-L79 HydrophobicContact CE2-CD2 3.86Å; F48-L79 HydrophobicContact CG-CD1 4.43Å; F48-L79 HydrophobicContact CG-CD2 3.74Å; F48-L79 HydrophobicContact CZ-CD2 4.5Å
49P88.9Confident93.2Very high130 Ų13035.7 Ų35.784%0.84423%0.226SC*.THydrogen-bonded Turntrans-53.6133-179.5-27.135.1000112.2A51P49-A51 VanDerWaalsContact C-N 3.26Å; P49-A51 PolarHBondContact O-N 3.47Å
50G90.9Very high92.4Very high54 Ų5440.2 Ų40.256%0.55725%0.252SS*.THydrogen-bonded Turntrans81.6-9.7-178.200000115.4F48 T82F48-G50 PolarHBondContact O-N 2.76Å; G50-T82 WeakPolarHBondContact O-CG2 3.12Å; G50-T82 PolarHBondContact O-OG1 3Å; G50-T82 VanDerWaalsContact O-OG1 3.12Å
51A95.1Very high91.2Very high7 Ų741.7 Ų41.76%0.05826%0.262CS..  trans-92.2169.3173.100000111.7S45 F48 P49 L79 I80S45-A51 WeakPolarHBondContact CB-O 3.5Å; S45-A51 PolarHBondContact N-O 3.18Å; F48-A51 HydrophobicContact CB-CB 3.83Å; F48-A51 WeakPolarHBondContact O-CB 3.37Å; F48-A51 PolarHBondContact O-N 2.85Å; P49-A51 VanDerWaalsContact C-N 3.26Å; P49-A51 PolarHBondContact O-N 3.47Å; A51-L79 HydrophobicContact CB-CD1 4.2Å; A51-L79 HydrophobicContact CB-CD2 4.39Å; A51-L79 HydrophobicContact CB-CG 4.3Å; A51-I80 WeakPolarHBondContact CA-O 3.27Å; A51-I80 WeakPolarHBondContact CB-O 3.37Å
52F97.1Very high89.7Confident32 Ų3243.5 Ų43.514%0.1427%0.274CS..EExtended strand (participates in β ladder)trans-115.9148.3175.6-48.6-80.6000111.8Y19 I42 R43 L79 I80 T82 V87 L101Y19-F52 AromaticContact CE2-CD1 3.99Å; Y19-F52 HydrophobicContact CE2-CD1 3.99Å; Y19-F52 HydrophobicContact CE2-CE1 4.12Å; Y19-F52 WeakPolarHBondContact OH-CE1 3.5Å; I42-F52 HydrophobicContact CG2-CB 3.76Å; I42-F52 HydrophobicContact CG2-CG 4.35Å; R43-F52 CarbonylContact O-C 3.54Å; R43-F52 VanDerWaalsContact O-CA 3.29Å; R43-F52 WeakPolarHBondContact O-CA 3.24Å; R43-F52 WeakPolarHBondContact O-CB 3.09Å; F52-L79 WeakPolarHBondContact O-CD1 3.46Å; F52-I80 HydrophobicContact CB-CB 4.16Å; F52-I80 HydrophobicContact CD2-CB 4.47Å; F52-I80 HydrophobicContact CD2-CG2 4.27Å; F52-I80 PolarHBondContact N-O 3.3Å; F52-I80 PolarHBondContact O-N 2.83Å; F52-T82 HydrophobicContact CD2-CG2 4.32Å; F52-T82 HydrophobicContact CE2-CG2 3.6Å; F52-T82 HydrophobicContact CZ-CG2 4.33Å; F52-V87 HydrophobicContact CE2-CG1 4.28Å; F52-L101 HydrophobicContact CD2-CD1 4.15Å; F52-L101 HydrophobicContact CG-CD1 4.47Å
53G96.4Very high88.2Confident8 Ų850.2 Ų50.28%0.08232%0.317CS..EExtended strand (participates in β ladder)trans-100.5121.8169.200000110.7I42 R43I42-G53 WeakPolarHBondContact CA-O 3.27Å; R43-G53 PolarHBondContact N-O 2.82Å; R43-G53 PolarHBondContact O-N 3.05Å
54L96.9Very high86.7Confident0 Ų053.3 Ų53.30%035%0.354CS..EExtended strand (participates in β ladder)trans-96.8117170.3168.765.4000109.3F40 I42 H77 F78 I80 L89 L115 L119F40-L54 HydrophobicContact CB-CD1 3.95Å; F40-L54 HydrophobicContact CD2-CD1 3.73Å; F40-L54 HydrophobicContact CG-CD1 4.24Å; I42-L54 HydrophobicContact CD1-CD1 4.25Å; I42-L54 HydrophobicContact CG1-CB 4.4Å; I42-L54 HydrophobicContact CG1-CD1 3.7Å; L54-H77 CarbonylContact O-C 3.54Å; L54-H77 VanDerWaalsContact O-CA 3.28Å; L54-H77 WeakPolarHBondContact O-CA 3.39Å; L54-F78 HydrophobicContact CB-CB 4.25Å; L54-F78 HydrophobicContact CD2-CB 4.33Å; L54-F78 HydrophobicContact CD2-CD2 4.21Å; L54-F78 HydrophobicContact CG-CD2 4.37Å; L54-F78 PolarHBondContact N-O 3.04Å; L54-F78 PolarHBondContact O-N 3.35Å; L54-I80 HydrophobicContact CB-CD1 3.97Å; L54-I80 HydrophobicContact CB-CG1 4.38Å; L54-L89 HydrophobicContact CD2-CD2 4.4Å; L54-L115 HydrophobicContact CD2-CD1 3.94Å; L54-L115 HydrophobicContact CD2-CD2 3.92Å; L54-L119 HydrophobicContact CD1-CD2 4.44Å
55A95.9Very high85.1Confident3 Ų353.2 Ų53.23%0.02536%0.356CS..EExtended strand (participates in β ladder)trans-98.5126.9167.700000109.3A28 L32 F40 I41 V75 R76A28-A55 HydrophobicContact CB-CB 4.06Å; L32-A55 HydrophobicContact CD1-CB 3.76Å; L32-A55 WeakPolarHBondContact CD1-O 3.32Å; F40-A55 CarbonylContact C-O 3.56Å; F40-A55 WeakPolarHBondContact CA-O 3.28Å; F40-A55 WeakPolarHBondContact CB-O 3.41Å; I41-A55 PolarHBondContact N-O 3.14Å; I41-A55 PolarHBondContact O-N 2.84Å; A55-V75 HydrophobicContact CB-CG1 4.13Å; A55-R76 CarbonylContact C-O 3.44Å; A55-R76 WeakPolarHBondContact CA-O 3.12Å
56L95.8Very high83.5Confident0 Ų060 Ų600%039%0.391CS..EExtended strand (participates in β ladder)trans-131.3124.7-174.5173.160000110.4F40 V58 V75 R76 F78 L115 P116 L119F40-L56 HydrophobicContact CB-CD1 4.12Å; L56-V58 HydrophobicContact CD2-CG1 4.43Å; L56-V58 HydrophobicContact CG-CG1 4.23Å; L56-V75 CarbonylContact O-C 3.55Å; L56-V75 WeakPolarHBondContact O-CA 3.2Å; L56-R76 PolarHBondContact N-O 2.81Å; L56-R76 PolarHBondContact O-N 2.83Å; L56-F78 HydrophobicContact CB-CD2 4.5Å; L56-F78 HydrophobicContact CB-CE2 4.16Å; L56-F78 HydrophobicContact CD2-CE2 4.05Å; L56-L115 HydrophobicContact CD2-CB 4.24Å; L56-L115 HydrophobicContact CD2-CD1 4.36Å; L56-L115 HydrophobicContact CD2-CD2 4.43Å; L56-P116 HydrophobicContact CD2-CG 3.96Å; L56-L119 HydrophobicContact CD1-CD2 3.67Å; L56-L119 HydrophobicContact CD2-CD2 4.3Å; L56-L119 HydrophobicContact CG-CD2 4.49Å
57K94.5Very high82Confident11 Ų1159.6 Ų59.65%0.04839%0.393CS..EExtended strand (participates in β ladder)trans-72.3127.9169.4-178.964.4-176.9-168.20110L32 K33 K35 Q36 P37 G38 A39 R71 L74 V75L32-K57 HydrophobicContact CB-CB 4.47Å; L32-K57 WeakPolarHBondContact O-CD 3.31Å; K33-K57 PolarHBondContact O-NZ 2.96Å; K35-K57 WeakPolarHBondContact O-CE 3.3Å; K35-K57 WeakPolarHBondContact O-CG 3.33Å; Q36-K57 WeakPolarHBondContact O-CG 3.14Å; P37-K57 CarbonylContact C-O 3.6Å; P37-K57 WeakPolarHBondContact CA-O 3.49Å; G38-K57 PolarHBondContact N-O 3.49Å; A39-K57 HydrophobicContact CB-CB 4.29Å; A39-K57 WeakPolarHBondContact O-CB 3.23Å; A39-K57 PolarHBondContact O-N 3.39Å; K57-R71 PolarHBondContact NZ-O 3.09Å; K57-L74 CarbonylContact C-O 3.58Å; K57-L74 WeakPolarHBondContact CA-O 3.34Å; K57-L74 HydrophobicContact CD-CB 4.13Å; K57-L74 VanDerWaalsContact NZ-CB 3.34Å; K57-V75 HydrophobicContact CD-CG2 4.3Å
58V92.7Very high80.5Confident7 Ų763.1 Ų63.14%0.04240%0.396CS..  trans-116.2161.1176.5-59.40000111.4L56 V60 L74 R76 P116L56-V58 HydrophobicContact CD2-CG1 4.43Å; L56-V58 HydrophobicContact CG-CG1 4.23Å; V58-V60 WeakPolarHBondContact CG2-O 3.48Å; V58-L74 HydrophobicContact CG2-CB 4.47Å; V58-L74 HydrophobicContact CG2-CD2 4.44Å; V58-L74 VanDerWaalsContact CG2-O 3.3Å; V58-L74 WeakPolarHBondContact CG2-O 3.2Å; V58-L74 PolarHBondContact N-O 3.12Å; V58-R76 HydrophobicContact CG1-CB 4.28Å; V58-R76 HydrophobicContact CG1-CG 3.8Å; V58-R76 HydrophobicContact CG2-CG 3.85Å; V58-P116 HydrophobicContact CG1-CB 4.18Å; V58-P116 HydrophobicContact CG1-CG 3.49Å; V58-P116 VanDerWaalsContact CG1-CG 3.49Å
59A86.3Confident79Confident67 Ų6766.7 Ų66.755%0.55442%0.42SS*.SBendtrans-80.7-33.6179.600000113.1P37P37-A59 HydrophobicContact CB-CB 3.98Å; P37-A59 HydrophobicContact CG-CB 3.64Å
60V78.3Confident77.9Confident110 Ų11064.7 Ų64.767%0.66740%0.402SS*.SBendtrans-126.3133.7-170.3-170.30000109.3V58V58-V60 WeakPolarHBondContact CG2-O 3.48Å
61P70.5Confident76.6Confident34 Ų3469.6 Ų69.622%0.22140%0.404CS..PPolyproline II helixtrans-68.2153.8174.128.5-29.9000110.2T67 L74P61-T67 HydrophobicContact CG-CG2 4.15Å; P61-L74 HydrophobicContact CB-CD2 4.09Å; P61-L74 HydrophobicContact CG-CD2 4.32Å
62P65.8Low75.3Confident39 Ų3970.9 Ų70.925%0.25341%0.412SS..PPolyproline II helixtrans-58.4150.8177.814-21.3000112.7G64 V65P62-G64 PolarHBondContact O-N 3.49Å; P62-V65 HydrophobicContact CG-CG2 3.85Å; P62-V65 PolarHBondContact O-N 2.81Å
63P64.9Low74.3Confident142 Ų14272.3 Ų72.392%0.92242%0.42SS*.THydrogen-bonded Turntrans-55.4124.3174.8-20.630.7000110.6
64G64.1Low73.9Confident82 Ų8273.6 Ų73.685%0.84542%0.424SS*.THydrogen-bonded Turntrans105.3-4.9176.400000116.2P62P62-G64 PolarHBondContact O-N 3.49Å
65V61.2Low73.6Confident63 Ų6374.1 Ų74.138%0.38243%0.428SS..  trans-85.9114.2171-1750000108.9P62 T67 E73P62-V65 HydrophobicContact CG-CG2 3.85Å; P62-V65 PolarHBondContact O-N 2.81Å; V65-T67 PolarHBondContact O-N 3.31Å; V65-T67 VanDerWaalsContact O-N 3.14Å; V65-E73 VanDerWaalsContact CG1-OE2 3.3Å; V65-E73 WeakPolarHBondContact CG1-OE2 3.48Å
66L57.8Low73.4Confident157 Ų15778.6 Ų78.682%0.82244%0.444SS*.  trans-64.6111.5172.6-71.8166.7000107.9K68L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 2.79Å
67T54.6Low73.3Confident114 Ų11481.1 Ų81.170%0.69946%0.455SS*.  trans-59.689.7-177.853.30000110.6P61 V65P61-T67 HydrophobicContact CG-CG2 4.15Å; V65-T67 PolarHBondContact O-N 3.31Å; V65-T67 VanDerWaalsContact O-N 3.14Å
68K53.6Low73.3Confident167 Ų16782.7 Ų82.773%0.72646%0.462SS*.  trans-74.2145.3149-72.1-178.4178.9178.30105.2L66 D70L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 2.79Å; K68-D70 PolarHBondContact O-N 2.77Å
69N57.6Low73.5Confident174 Ų17483.8 Ų83.893%0.9347%0.468SS*.SBendtrans-69.630-168.9-141.99000113.6
70D65Low74Confident87 Ų8780.6 Ų80.647%0.46544%0.441SS..  trans-92.2103.8-173.9-168.4-6.3000110.3K68 S72 E73K68-D70 PolarHBondContact O-N 2.77Å; D70-S72 PolarHBondContact O-N 3.36Å; D70-S72 WeakPolarHBondContact OD1-CB 3.36Å; D70-S72 PolarHBondContact OD1-N 3.12Å; D70-S72 VanDerWaalsContact OD1-N 3.08Å; D70-S72 PolarHBondContact OD1-OG 3.41Å; D70-S72 PolarHBondContact OD2-OG 3.49Å; D70-E73 HydrophobicContact CB-CG 4.4Å; D70-E73 WeakPolarHBondContact O-CB 3.47Å; D70-E73 PolarHBondContact O-N 3.1Å; D70-E73 VanDerWaalsContact O-N 3.1Å
71R64.6Low74.7Confident157 Ų15777.9 Ų77.959%0.59242%0.421SS*.G310 helixtrans-59.4-14.6178.6-63.8-179.1-176.3165.21.2113.3K33 D34 K57 E73 L74K33-R71 HydrophobicContact CB-CB 4.42Å; D34-R71 WeakPolarHBondContact OD1-CD 3.39Å; D34-R71 IonicContact OD1-CZ 2.82Å; D34-R71 IonicContact OD1-NH1 2.7Å; D34-R71 PolarHBondContact OD1-NH1 2.76Å; K57-R71 PolarHBondContact NZ-O 3.09Å; R71-E73 VanDerWaalsContact C-N 3.27Å; R71-E73 PolarHBondContact O-N 3.08Å; R71-L74 PolarHBondContact O-N 3Å
72S67.8Low75.8Confident35 Ų3579.8 Ų79.825%0.24543%0.433CS..G310 helixtrans-64.6-29.7175.276.70000112.8D70 L74 V75D70-S72 PolarHBondContact O-N 3.36Å; D70-S72 WeakPolarHBondContact OD1-CB 3.36Å; D70-S72 PolarHBondContact OD1-N 3.12Å; D70-S72 VanDerWaalsContact OD1-N 3.08Å; D70-S72 PolarHBondContact OD1-OG 3.41Å; D70-S72 PolarHBondContact OD2-OG 3.49Å; S72-L74 PolarHBondContact O-N 2.68Å; S72-L74 VanDerWaalsContact O-N 3.12Å; S72-V75 PolarHBondContact O-N 3.16Å; S72-V75 VanDerWaalsContact O-N 3.12Å
73E75.9Confident77Confident62 Ų6280.3 Ų80.329%0.2944%0.435SS..G310 helixtrans-65.7-16.6179.9-64.5-178.317600113V65 D70 R71 V75V65-E73 VanDerWaalsContact CG1-OE2 3.3Å; V65-E73 WeakPolarHBondContact CG1-OE2 3.48Å; D70-E73 HydrophobicContact CB-CG 4.4Å; D70-E73 WeakPolarHBondContact O-CB 3.47Å; D70-E73 PolarHBondContact O-N 3.1Å; D70-E73 VanDerWaalsContact O-N 3.1Å; R71-E73 VanDerWaalsContact C-N 3.27Å; R71-E73 PolarHBondContact O-N 3.08Å; E73-V75 VanDerWaalsContact C-N 3.3Å; E73-V75 PolarHBondContact O-N 3.12Å
74L87.2Confident78.2Confident35 Ų3579 Ų7918%0.18344%0.437CS..G310 helixtrans-87.89.2178-63.7176.1000113.2K57 V58 P61 R71 S72K57-L74 CarbonylContact C-O 3.58Å; K57-L74 WeakPolarHBondContact CA-O 3.34Å; K57-L74 HydrophobicContact CD-CB 4.13Å; K57-L74 VanDerWaalsContact NZ-CB 3.34Å; V58-L74 HydrophobicContact CG2-CB 4.47Å; V58-L74 HydrophobicContact CG2-CD2 4.44Å; V58-L74 VanDerWaalsContact CG2-O 3.3Å; V58-L74 WeakPolarHBondContact CG2-O 3.2Å; V58-L74 PolarHBondContact N-O 3.12Å; P61-L74 HydrophobicContact CB-CD2 4.09Å; P61-L74 HydrophobicContact CG-CD2 4.32Å; R71-L74 PolarHBondContact O-N 3Å; S72-L74 PolarHBondContact O-N 2.68Å; S72-L74 VanDerWaalsContact O-N 3.12Å
75V91.6Very high79.4Confident11 Ų1183.4 Ų83.47%0.06743%0.432CS..EExtended strand (participates in β ladder)trans-105.8105174.2-174.90000110I29 L32 A55 L56 K57 S72 E73 H77I29-V75 HydrophobicContact CG1-CB 4.21Å; I29-V75 HydrophobicContact CG1-CG1 4.07Å; I29-V75 HydrophobicContact CG2-CB 4.49Å; I29-V75 HydrophobicContact CG2-CG2 4.32Å; L32-V75 HydrophobicContact CB-CG1 4.4Å; L32-V75 HydrophobicContact CB-CG2 4Å; L32-V75 HydrophobicContact CD1-CG1 4.11Å; A55-V75 HydrophobicContact CB-CG1 4.13Å; L56-V75 CarbonylContact O-C 3.55Å; L56-V75 WeakPolarHBondContact O-CA 3.2Å; K57-V75 HydrophobicContact CD-CG2 4.3Å; S72-V75 PolarHBondContact O-N 3.16Å; S72-V75 VanDerWaalsContact O-N 3.12Å; E73-V75 VanDerWaalsContact C-N 3.3Å; E73-V75 PolarHBondContact O-N 3.12Å; V75-H77 PolarHBondContact O-ND1 3.13Å
76R91.8Very high81Confident97 Ų9781.1 Ų81.137%0.36642%0.421SS..EExtended strand (participates in β ladder)trans-86.2144.2178.4-64.9-59-61.1-105.80.7110.7A55 L56 V58 F78A55-R76 CarbonylContact C-O 3.44Å; A55-R76 WeakPolarHBondContact CA-O 3.12Å; L56-R76 PolarHBondContact N-O 2.81Å; L56-R76 PolarHBondContact O-N 2.83Å; V58-R76 HydrophobicContact CG1-CB 4.28Å; V58-R76 HydrophobicContact CG1-CG 3.8Å; V58-R76 HydrophobicContact CG2-CG 3.85Å; R76-F78 HydrophobicContact CB-CE2 3.6Å; R76-F78 HydrophobicContact CB-CZ 3.96Å
77H94.1Very high82.7Confident53 Ų5374 Ų7425%0.24539%0.385CS..EExtended strand (participates in β ladder)trans-115.7131.8178.9-67.174.4000109.6R25 L54 V75R25-H77 VanDerWaalsContact CG-NE2 3.33Å; R25-H77 WeakPolarHBondContact CG-NE2 3.3Å; L54-H77 CarbonylContact O-C 3.54Å; L54-H77 VanDerWaalsContact O-CA 3.28Å; L54-H77 WeakPolarHBondContact O-CA 3.39Å; V75-H77 PolarHBondContact O-ND1 3.13Å
78F94.9Very high84.6Confident44 Ų4471.7 Ų71.719%0.19337%0.365CS..EExtended strand (participates in β ladder)trans-124.6148.3175.6-55.2-94.6000108.9L54 L56 R76 L89 L115 P116L54-F78 HydrophobicContact CB-CB 4.25Å; L54-F78 HydrophobicContact CD2-CB 4.33Å; L54-F78 HydrophobicContact CD2-CD2 4.21Å; L54-F78 HydrophobicContact CG-CD2 4.37Å; L54-F78 PolarHBondContact N-O 3.04Å; L54-F78 PolarHBondContact O-N 3.35Å; L56-F78 HydrophobicContact CB-CD2 4.5Å; L56-F78 HydrophobicContact CB-CE2 4.16Å; L56-F78 HydrophobicContact CD2-CE2 4.05Å; R76-F78 HydrophobicContact CB-CE2 3.6Å; R76-F78 HydrophobicContact CB-CZ 3.96Å; F78-L89 HydrophobicContact CB-CD2 3.77Å; F78-L115 HydrophobicContact CD1-CD2 3.89Å; F78-L115 HydrophobicContact CD2-CD2 3.8Å; F78-L115 HydrophobicContact CE1-CD2 3.93Å; F78-L115 HydrophobicContact CE2-CD2 3.86Å; F78-L115 HydrophobicContact CG-CD2 3.84Å; F78-L115 HydrophobicContact CZ-CD2 3.94Å; F78-P116 VanDerWaalsContact CZ-CD 3.44Å; F78-P116 HydrophobicContact CZ-CG 4Å
79L95.5Very high86.6Confident30 Ų3063.8 Ų63.816%0.15733%0.331CS..EExtended strand (participates in β ladder)trans-99.7131.5173.6-165.278.7000109.2S45 F48 A51 F52 E81 K90S45-L79 WeakPolarHBondContact OG-CD1 3.42Å; F48-L79 HydrophobicContact CB-CD1 4.4Å; F48-L79 HydrophobicContact CB-CD2 4.15Å; F48-L79 HydrophobicContact CD1-CD2 4.39Å; F48-L79 HydrophobicContact CD2-CD1 3.77Å; F48-L79 HydrophobicContact CD2-CD2 3.43Å; F48-L79 VanDerWaalsContact CD2-CD2 3.43Å; F48-L79 HydrophobicContact CD2-CG 4.27Å; F48-L79 HydrophobicContact CE2-CD2 3.86Å; F48-L79 HydrophobicContact CG-CD1 4.43Å; F48-L79 HydrophobicContact CG-CD2 3.74Å; F48-L79 HydrophobicContact CZ-CD2 4.5Å; A51-L79 HydrophobicContact CB-CD1 4.2Å; A51-L79 HydrophobicContact CB-CD2 4.39Å; A51-L79 HydrophobicContact CB-CG 4.3Å; F52-L79 WeakPolarHBondContact O-CD1 3.46Å; L79-E81 HydrophobicContact CD2-CG 4.16Å; L79-K90 HydrophobicContact CB-CB 4Å; L79-K90 HydrophobicContact CB-CD 4.37Å; L79-K90 HydrophobicContact CD2-CB 4.32Å; L79-K90 HydrophobicContact CD2-CD 3.53Å; L79-K90 PolarHBondContact O-N 2.89Å
80I96.5Very high88.2Confident0 Ų059.9 Ų59.90%031%0.305CS..EExtended strand (participates in β ladder)trans-105.2116.6171.7-58.4167.3000107.3I42 A51 F52 L54 V87 K88 L89 L101 L104I42-I80 HydrophobicContact CD1-CD1 4Å; A51-I80 WeakPolarHBondContact CA-O 3.27Å; A51-I80 WeakPolarHBondContact CB-O 3.37Å; F52-I80 HydrophobicContact CB-CB 4.16Å; F52-I80 HydrophobicContact CD2-CB 4.47Å; F52-I80 HydrophobicContact CD2-CG2 4.27Å; F52-I80 PolarHBondContact N-O 3.3Å; F52-I80 PolarHBondContact O-N 2.83Å; L54-I80 HydrophobicContact CB-CD1 3.97Å; L54-I80 HydrophobicContact CB-CG1 4.38Å; I80-V87 HydrophobicContact CG2-CB 3.74Å; I80-V87 HydrophobicContact CG2-CG1 4.36Å; I80-V87 HydrophobicContact CG2-CG2 4.3Å; I80-K88 CarbonylContact C-O 3.6Å; I80-K88 WeakPolarHBondContact CA-O 3.04Å; I80-L89 HydrophobicContact CG1-CD2 3.68Å; I80-L101 HydrophobicContact CD1-CD1 3.82Å; I80-L101 HydrophobicContact CG2-CD1 4.37Å; I80-L104 HydrophobicContact CD1-CD1 4.34Å; I80-L104 HydrophobicContact CD1-CD2 4.08Å; I80-L104 HydrophobicContact CG1-CD1 4.36Å; I80-L104 HydrophobicContact CG2-CD1 3.89Å
81E94.3Very high89.3Confident52 Ų5259 Ų5924%0.24332%0.317CS..EExtended strand (participates in β ladder)trans-90.2137.2177.8-69.9177.4152.300110.5L79 V87 K88 K90L79-E81 HydrophobicContact CD2-CG 4.16Å; E81-V87 VanDerWaalsContact O-CA 3.31Å; E81-V87 WeakPolarHBondContact O-CA 3.37Å; E81-K88 PolarHBondContact N-O 2.88Å; E81-K88 PolarHBondContact O-N 3.13Å; E81-K90 HydrophobicContact CG-CB 4.02Å; E81-K90 HydrophobicContact CG-CD 4.34Å; E81-K90 HydrophobicContact CG-CG 4.33Å; E81-K90 WeakPolarHBondContact OE1-CD 3.47Å; E81-K90 WeakPolarHBondContact OE1-CE 3.46Å; E81-K90 WeakPolarHBondContact OE1-CG 3.35Å; E81-K90 IonicContact OE1-NZ 3.07Å; E81-K90 PolarHBondContact OE1-NZ 2.8Å
82T92.9Very high90.2Very high75 Ų7553.2 Ų53.246%0.4630%0.3SS..EExtended strand (participates in β ladder)trans-82.3136.3166.7520000110.2G50 F52 V87G50-T82 WeakPolarHBondContact O-CG2 3.12Å; G50-T82 PolarHBondContact O-OG1 3Å; G50-T82 VanDerWaalsContact O-OG1 3.12Å; F52-T82 HydrophobicContact CD2-CG2 4.32Å; F52-T82 HydrophobicContact CE2-CG2 3.6Å; F52-T82 HydrophobicContact CZ-CG2 4.33Å; T82-V87 HydrophobicContact CG2-CG1 4.1Å
83T90.3Very high90.7Very high50 Ų5058.5 Ų58.531%0.30733%0.325SS..EExtended strand (participates in β ladder)trans-127.5167.4176.472.40000108.8K85 G86 K88T83-K85 PolarHBondContact O-N 2.62Å; T83-K85 PolarHBondContact OG1-N 3.11Å; T83-G86 WeakPolarHBondContact CA-O 3.46Å; T83-G86 PolarHBondContact N-O 2.72Å; T83-G86 PolarHBondContact O-N 2.93Å; T83-G86 VanDerWaalsContact O-N 3.13Å; T83-G86 VanDerWaalsContact O-O 3.07Å; T83-G86 PolarHBondContact OG1-N 2.99Å; T83-G86 PolarHBondContact OG1-O 3.1Å; T83-K88 HydrophobicContact CG2-CD 4.42Å; T83-K88 HydrophobicContact CG2-CG 4.31Å
84A90.7Very high90.9Very high115 Ų11563.5 Ų63.595%0.9535%0.354SS*.THydrogen-bonded Turntrans-58.5-20.5175.100000114
85K90.4Very high90.7Very high173 Ų17362.9 Ų62.975%0.75235%0.35SS*.THydrogen-bonded Turntrans-102.50-178.1-64.9-174179.3-176.90113.8T83 I97T83-K85 PolarHBondContact O-N 2.62Å; T83-K85 PolarHBondContact OG1-N 3.11Å; K85-I97 HydrophobicContact CB-CD1 4.48Å; K85-I97 HydrophobicContact CB-CG2 4.04Å
86G93.2Very high90.6Very high15 Ų1565.9 Ų65.916%0.15537%0.37CS..EExtended strand (participates in β ladder)trans131.2-139.4-175.300000112.2T83 F98T83-G86 WeakPolarHBondContact CA-O 3.46Å; T83-G86 PolarHBondContact N-O 2.72Å; T83-G86 PolarHBondContact O-N 2.93Å; T83-G86 VanDerWaalsContact O-N 3.13Å; T83-G86 VanDerWaalsContact O-O 3.07Å; T83-G86 PolarHBondContact OG1-N 2.99Å; T83-G86 PolarHBondContact OG1-O 3.1Å; G86-F98 CarbonylContact C-O 3.6Å; G86-F98 VanDerWaalsContact CA-O 3.24Å; G86-F98 WeakPolarHBondContact CA-O 3.12Å
87V94.6Very high90.7Very high9 Ų965 Ų656%0.05537%0.372CS..EExtended strand (participates in β ladder)trans-126.9153.4-172.7-61.10000112.9F52 I80 E81 T82 F98 S100 L104F52-V87 HydrophobicContact CE2-CG1 4.28Å; I80-V87 HydrophobicContact CG2-CB 3.74Å; I80-V87 HydrophobicContact CG2-CG1 4.36Å; I80-V87 HydrophobicContact CG2-CG2 4.3Å; E81-V87 VanDerWaalsContact O-CA 3.31Å; E81-V87 WeakPolarHBondContact O-CA 3.37Å; T82-V87 HydrophobicContact CG2-CG1 4.1Å; V87-F98 HydrophobicContact CG2-CB 4.15Å; V87-F98 PolarHBondContact N-O 2.86Å; V87-F98 PolarHBondContact O-N 2.83Å; V87-S100 WeakPolarHBondContact CG2-O 3.3Å; V87-L104 HydrophobicContact CG2-CB 3.97Å; V87-L104 HydrophobicContact CG2-CD1 3.84Å
88K94.7Very high90.7Very high64 Ų6463.4 Ų63.428%0.27837%0.365SS..EExtended strand (participates in β ladder)trans-152.3159.2174.865.4172.5-174.3173.10112.1I80 E81 T83 I97I80-K88 CarbonylContact C-O 3.6Å; I80-K88 WeakPolarHBondContact CA-O 3.04Å; E81-K88 PolarHBondContact N-O 2.88Å; E81-K88 PolarHBondContact O-N 3.13Å; T83-K88 HydrophobicContact CG2-CD 4.42Å; T83-K88 HydrophobicContact CG2-CG 4.31Å; K88-I97 HydrophobicContact CD-CG1 4.3Å
89L94.8Very high90.6Very high2 Ų264.4 Ų64.41%0.0139%0.387CS..EExtended strand (participates in β ladder)trans-73.5130.8171.3-70.9169.9000111.3L54 F78 I80 C92 E95 A114 L115L54-L89 HydrophobicContact CD2-CD2 4.4Å; F78-L89 HydrophobicContact CB-CD2 3.77Å; I80-L89 HydrophobicContact CG1-CD2 3.68Å; L89-C92 HydrophobicContact CB-CB 4.1Å; L89-C92 PolarHBondContact O-N 3.25Å; L89-E95 WeakPolarHBondContact CB-OE2 3.4Å; L89-E95 VanDerWaalsContact CD1-OE2 3.28Å; L89-E95 WeakPolarHBondContact CD1-OE2 3.37Å; L89-A114 HydrophobicContact CD1-CB 4.31Å; L89-L115 HydrophobicContact CD1-CD2 3.61Å; L89-L115 HydrophobicContact CD1-CG 3.94Å
90K92.1Very high90.5Very high92 Ų9265.6 Ų65.640%0.440%0.398SS..THydrogen-bonded Turntrans-65.6137175.8-172.2175-170.2128.70110.5L79 E81 C92L79-K90 HydrophobicContact CB-CB 4Å; L79-K90 HydrophobicContact CB-CD 4.37Å; L79-K90 HydrophobicContact CD2-CB 4.32Å; L79-K90 HydrophobicContact CD2-CD 3.53Å; L79-K90 PolarHBondContact O-N 2.89Å; E81-K90 HydrophobicContact CG-CB 4.02Å; E81-K90 HydrophobicContact CG-CD 4.34Å; E81-K90 HydrophobicContact CG-CG 4.33Å; E81-K90 WeakPolarHBondContact OE1-CD 3.47Å; E81-K90 WeakPolarHBondContact OE1-CE 3.46Å; E81-K90 WeakPolarHBondContact OE1-CG 3.35Å; E81-K90 IonicContact OE1-NZ 3.07Å; E81-K90 PolarHBondContact OE1-NZ 2.8Å; K90-C92 PolarHBondContact O-N 2.75Å
91G86.7Confident90.3Very high69 Ų6966.8 Ų66.871%0.71140%0.404SS*.THydrogen-bonded Turntrans78.70.5177.200000114.7
92C84.6Confident90.3Very high35 Ų3566.9 Ų66.924%0.23641%0.414CS..  trans-108.374.5-179.8-59.40000110.2L89 K90 N94 E95 A114L89-C92 HydrophobicContact CB-CB 4.1Å; L89-C92 PolarHBondContact O-N 3.25Å; K90-C92 PolarHBondContact O-N 2.75Å; C92-N94 PolarHBondContact O-N 2.75Å; C92-N94 VanDerWaalsContact O-N 3.15Å; C92-E95 HydrophobicContact CB-CB 4.36Å; C92-E95 WeakPolarHBondContact O-CB 3.37Å; C92-E95 PolarHBondContact O-N 2.84Å; C92-A114 HydrophobicContact CB-CB 3.74Å
93N77.3Confident90.3Very high145 Ų14565.1 Ų65.178%0.77541%0.407SS*.THydrogen-bonded Turntrans-65.5-18.4-172.4-65.8-21.8000114.6E95N93-E95 VanDerWaalsContact C-N 3.26Å; N93-E95 PolarHBondContact O-N 2.94Å
94N79.7Confident90.5Very high168 Ų16862.8 Ų62.890%0.89839%0.392SS*.THydrogen-bonded Turntrans-83.7-2-179.8-65.9-11.2000112.9C92C92-N94 PolarHBondContact O-N 2.75Å; C92-N94 VanDerWaalsContact O-N 3.15Å
95E84.2Confident90.7Very high21 Ų2157.3 Ų57.310%0.09835%0.348CS..SBendtrans-98.6139.7-174.3-159.5163-134.600112L89 C92 N93 F98 H108 L113 A114L89-E95 WeakPolarHBondContact CB-OE2 3.4Å; L89-E95 VanDerWaalsContact CD1-OE2 3.28Å; L89-E95 WeakPolarHBondContact CD1-OE2 3.37Å; C92-E95 HydrophobicContact CB-CB 4.36Å; C92-E95 WeakPolarHBondContact O-CB 3.37Å; C92-E95 PolarHBondContact O-N 2.84Å; N93-E95 VanDerWaalsContact C-N 3.26Å; N93-E95 PolarHBondContact O-N 2.94Å; E95-F98 HydrophobicContact CG-CE2 3.98Å; E95-F98 HydrophobicContact CG-CZ 4.25Å; E95-H108 IonicContact OE1-CE1 2.82Å; E95-H108 PolarHBondContact OE1-CE1 3.21Å; E95-H108 IonicContact OE1-ND1 3.96Å; E95-H108 IonicContact OE1-NE2 3.13Å; E95-H108 PolarHBondContact OE1-NE2 2.98Å; E95-H108 VanDerWaalsContact OE1-NE2 3.13Å; E95-L113 HydrophobicContact CG-CD1 4.42Å; E95-L113 WeakPolarHBondContact OE1-CB 3.22Å; E95-A114 PolarHBondContact OE1-N 2.83Å
96P89.9Confident90.8Very high75 Ų7554.2 Ų54.249%0.48733%0.332SS..PPolyproline II helixtrans-66.7161.6177.128.3-35.9000112.2F98P96-F98 HydrophobicContact CG-CE1 4.04Å; P96-F98 HydrophobicContact CG-CE2 4.45Å; P96-F98 HydrophobicContact CG-CZ 3.86Å; P96-F98 WeakPolarHBondContact O-CE2 3.39Å
97I92.9Very high90.9Very high78 Ų7856.9 Ų56.940%0.434%0.34SS..PPolyproline II helixtrans-81.9125.7167.1-59173.8000108K85 K88K85-I97 HydrophobicContact CB-CD1 4.48Å; K85-I97 HydrophobicContact CB-CG2 4.04Å; K88-I97 HydrophobicContact CD-CG1 4.3Å
98F93.6Very high90.9Very high20 Ų2056.5 Ų56.59%0.08834%0.338CS..BIsolated β-bridgetrans-92.9138.7177.5-59.7-78.8000110.5G86 V87 E95 P96 S100 A103 L104 Q107 L113G86-F98 CarbonylContact C-O 3.6Å; G86-F98 VanDerWaalsContact CA-O 3.24Å; G86-F98 WeakPolarHBondContact CA-O 3.12Å; V87-F98 HydrophobicContact CG2-CB 4.15Å; V87-F98 PolarHBondContact N-O 2.86Å; V87-F98 PolarHBondContact O-N 2.83Å; E95-F98 HydrophobicContact CG-CE2 3.98Å; E95-F98 HydrophobicContact CG-CZ 4.25Å; P96-F98 HydrophobicContact CG-CE1 4.04Å; P96-F98 HydrophobicContact CG-CE2 4.45Å; P96-F98 HydrophobicContact CG-CZ 3.86Å; P96-F98 WeakPolarHBondContact O-CE2 3.39Å; F98-S100 PolarHBondContact O-N 3.39Å; F98-S100 VanDerWaalsContact O-N 3.12Å; F98-A103 HydrophobicContact CB-CB 4.29Å; F98-L104 HydrophobicContact CB-CB 3.88Å; F98-L104 HydrophobicContact CD2-CB 3.72Å; F98-L104 HydrophobicContact CD2-CD1 3.78Å; F98-L104 HydrophobicContact CD2-CG 3.72Å; F98-L104 HydrophobicContact CE2-CB 4.4Å; F98-L104 HydrophobicContact CE2-CD1 4.28Å; F98-L104 HydrophobicContact CE2-CG 4.04Å; F98-L104 HydrophobicContact CG-CB 3.81Å; F98-L104 HydrophobicContact CG-CG 4.32Å; F98-Q107 HydrophobicContact CD1-CB 4.31Å; F98-Q107 HydrophobicContact CE1-CB 3.64Å; F98-Q107 HydrophobicContact CE1-CG 3.71Å; F98-Q107 HydrophobicContact CZ-CB 4.24Å; F98-Q107 HydrophobicContact CZ-CG 4.15Å; F98-L113 HydrophobicContact CZ-CD1 3.78Å
99G92.9Very high90.8Very high65 Ų6554.7 Ų54.767%0.6733%0.333SS*.SBendtrans-62.6-22.4-176.100000114.9
100S93.5Very high90.7Very high54 Ų5459.2 Ų59.238%0.37836%0.356SS..SBendtrans-155.5167.7178710000111.7V87 F98 A102 A103 L104V87-S100 WeakPolarHBondContact CG2-O 3.3Å; F98-S100 PolarHBondContact O-N 3.39Å; F98-S100 VanDerWaalsContact O-N 3.12Å; S100-A102 VanDerWaalsContact C-N 3.28Å; S100-A102 PolarHBondContact O-N 2.94Å; S100-A103 WeakPolarHBondContact O-CB 3.36Å; S100-A103 PolarHBondContact O-N 3.11Å; S100-A103 PolarHBondContact OG-N 2.93Å; S100-A103 VanDerWaalsContact OG-N 3.16Å; S100-L104 PolarHBondContact O-N 3.29Å
101L93.8Very high90.7Very high25 Ų2557.3 Ų57.313%0.13135%0.352CS..Hα-helixtrans-59.2-40.8174.1-168.465.7000112W18 Y19 I42 F52 I80 A103 L104 V105W18-L101 HydrophobicContact CZ3-CD2 3.93Å; W18-L101 HydrophobicContact CZ3-CG 4.16Å; Y19-L101 HydrophobicContact CD2-CD2 3.85Å; Y19-L101 HydrophobicContact CE2-CD2 3.95Å; I42-L101 HydrophobicContact CD1-CD1 3.84Å; I42-L101 HydrophobicContact CD1-CD2 4.33Å; I42-L101 HydrophobicContact CD1-CG 4.09Å; I42-L101 HydrophobicContact CG2-CD1 4.23Å; I42-L101 HydrophobicContact CG2-CD2 3.89Å; F52-L101 HydrophobicContact CD2-CD1 4.15Å; F52-L101 HydrophobicContact CG-CD1 4.47Å; I80-L101 HydrophobicContact CD1-CD1 3.82Å; I80-L101 HydrophobicContact CG2-CD1 4.37Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.21Å; L101-L104 PolarHBondContact O-N 2.85Å; L101-V105 WeakPolarHBondContact O-CB 3.39Å; L101-V105 WeakPolarHBondContact O-CG2 3.36Å; L101-V105 PolarHBondContact O-N 2.82Å
102A93.3Very high91Very high55 Ų5556.2 Ų56.246%0.45533%0.332SS..Hα-helixtrans-63.2-39.2176.100000111.9S100 V105 Y106S100-A102 VanDerWaalsContact C-N 3.28Å; S100-A102 PolarHBondContact O-N 2.94Å; A102-V105 PolarHBondContact O-N 2.95Å; A102-Y106 VanDerWaalsContact O-CB 3.24Å; A102-Y106 WeakPolarHBondContact O-CB 3.5Å; A102-Y106 PolarHBondContact O-N 3.15Å
103A93.1Very high91.3Very high38 Ų3858.5 Ų58.531%0.31434%0.342SS..Hα-helixtrans-65.5-42.1176.600000112.1F98 S100 L101 Y106 Q107F98-A103 HydrophobicContact CB-CB 4.29Å; S100-A103 WeakPolarHBondContact O-CB 3.36Å; S100-A103 PolarHBondContact O-N 3.11Å; S100-A103 PolarHBondContact OG-N 2.93Å; S100-A103 VanDerWaalsContact OG-N 3.16Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.21Å; A103-Y106 PolarHBondContact O-N 3.09Å; A103-Q107 WeakPolarHBondContact O-CB 3.33Å; A103-Q107 PolarHBondContact O-N 3.35Å
104L94.6Very high92Very high0 Ų053.7 Ų53.70%032%0.322CS..Hα-helixtrans-58.2-53.5172.9-177.9153.8000110.1I80 V87 F98 S100 L101 Y106 Q107 H108I80-L104 HydrophobicContact CD1-CD1 4.34Å; I80-L104 HydrophobicContact CD1-CD2 4.08Å; I80-L104 HydrophobicContact CG1-CD1 4.36Å; I80-L104 HydrophobicContact CG2-CD1 3.89Å; V87-L104 HydrophobicContact CG2-CB 3.97Å; V87-L104 HydrophobicContact CG2-CD1 3.84Å; F98-L104 HydrophobicContact CB-CB 3.88Å; F98-L104 HydrophobicContact CD2-CB 3.72Å; F98-L104 HydrophobicContact CD2-CD1 3.78Å; F98-L104 HydrophobicContact CD2-CG 3.72Å; F98-L104 HydrophobicContact CE2-CB 4.4Å; F98-L104 HydrophobicContact CE2-CD1 4.28Å; F98-L104 HydrophobicContact CE2-CG 4.04Å; F98-L104 HydrophobicContact CG-CB 3.81Å; F98-L104 HydrophobicContact CG-CG 4.32Å; S100-L104 PolarHBondContact O-N 3.29Å; L101-L104 PolarHBondContact O-N 2.85Å; L104-Y106 VanDerWaalsContact C-N 3.33Å; L104-Y106 PolarHBondContact O-N 3.35Å; L104-Q107 PolarHBondContact O-N 3.06Å; L104-H108 WeakPolarHBondContact O-CB 3.5Å; L104-H108 PolarHBondContact O-CD2 3.12Å; L104-H108 PolarHBondContact O-N 2.88Å
105V94.7Very high92.7Very high1 Ų146 Ų461%0.00628%0.281CS..Hα-helixtrans-59.2-45.1-178.9168.30000111.5W18 F40 I42 L101 A102 H108 S109 L119 L121W18-V105 HydrophobicContact CD2-CG1 4.41Å; W18-V105 HydrophobicContact CE3-CG2 4.18Å; W18-V105 HydrophobicContact CH2-CB 4.47Å; W18-V105 HydrophobicContact CH2-CG2 4.09Å; W18-V105 HydrophobicContact CZ2-CB 4.47Å; W18-V105 HydrophobicContact CZ2-CG1 4.24Å; W18-V105 HydrophobicContact CZ2-CG2 4.48Å; W18-V105 HydrophobicContact CZ3-CG2 3.91Å; F40-V105 HydrophobicContact CE2-CG1 3.97Å; F40-V105 HydrophobicContact CE2-CG2 4.07Å; F40-V105 HydrophobicContact CZ-CG1 3.55Å; F40-V105 HydrophobicContact CZ-CG2 4.49Å; I42-V105 HydrophobicContact CD1-CG2 3.42Å; I42-V105 VanDerWaalsContact CD1-CG2 3.42Å; L101-V105 WeakPolarHBondContact O-CB 3.39Å; L101-V105 WeakPolarHBondContact O-CG2 3.36Å; L101-V105 PolarHBondContact O-N 2.82Å; A102-V105 PolarHBondContact O-N 2.95Å; V105-H108 PolarHBondContact O-N 2.86Å; V105-S109 PolarHBondContact O-N 3.05Å; V105-L119 HydrophobicContact CG1-CD1 4.48Å; V105-L119 HydrophobicContact CG2-CD1 4.46Å; V105-L121 HydrophobicContact CG1-CD2 3.6Å
106Y93.3Very high93Very high108 Ų10848.8 Ų48.842%0.42430%0.301SS..Hα-helixtrans-60.4-49.8178.7-178.7-100.9000111.2V11 A102 A103 L104 H108 S109 M110V11-Y106 HydrophobicContact CG1-CD2 4.48Å; V11-Y106 HydrophobicContact CG2-CE2 4.11Å; A102-Y106 VanDerWaalsContact O-CB 3.24Å; A102-Y106 WeakPolarHBondContact O-CB 3.5Å; A102-Y106 PolarHBondContact O-N 3.15Å; A103-Y106 PolarHBondContact O-N 3.09Å; L104-Y106 VanDerWaalsContact C-N 3.33Å; L104-Y106 PolarHBondContact O-N 3.35Å; Y106-H108 VanDerWaalsContact C-N 3.33Å; Y106-H108 PolarHBondContact O-N 3.45Å; Y106-S109 WeakPolarHBondContact O-CB 3.41Å; Y106-S109 PolarHBondContact O-N 3.38Å; Y106-S109 VanDerWaalsContact O-N 3.11Å; Y106-S109 PolarHBondContact O-OG 2.77Å; Y106-M110 HydrophobicContact CD1-SD 4.33Å; Y106-M110 HydrophobicContact CE1-SD 3.6Å; Y106-M110 VanDerWaalsContact CE1-SD 3.6Å; Y106-M110 PolarHBondContact O-N 3.45Å
107Q94.1Very high93.2Very high71 Ų7146.7 Ų46.733%0.33229%0.287SS..Hα-helixtrans-60.4-44.6178.4-174.167.318.700111.6F98 A103 L104 S109 M110 T111 L113F98-Q107 HydrophobicContact CD1-CB 4.31Å; F98-Q107 HydrophobicContact CE1-CB 3.64Å; F98-Q107 HydrophobicContact CE1-CG 3.71Å; F98-Q107 HydrophobicContact CZ-CB 4.24Å; F98-Q107 HydrophobicContact CZ-CG 4.15Å; A103-Q107 WeakPolarHBondContact O-CB 3.33Å; A103-Q107 PolarHBondContact O-N 3.35Å; L104-Q107 PolarHBondContact O-N 3.06Å; Q107-S109 PolarHBondContact O-N 2.77Å; Q107-M110 PolarHBondContact O-N 2.83Å; Q107-M110 VanDerWaalsContact O-N 3.08Å; Q107-T111 PolarHBondContact NE2-OG1 3.36Å; Q107-T111 PolarHBondContact O-N 3.19Å; Q107-T111 PolarHBondContact O-OG1 3.49Å; Q107-L113 HydrophobicContact CG-CD1 3.7Å
108H94.4Very high93.3Very high0 Ų048 Ų480%029%0.29CS..Hα-helixtrans-68.6-19.7179.2-78.9-77000114E95 L104 V105 Y106 T111 P112 L115 K118 L119E95-H108 IonicContact OE1-CE1 2.82Å; E95-H108 PolarHBondContact OE1-CE1 3.21Å; E95-H108 IonicContact OE1-ND1 3.96Å; E95-H108 IonicContact OE1-NE2 3.13Å; E95-H108 PolarHBondContact OE1-NE2 2.98Å; E95-H108 VanDerWaalsContact OE1-NE2 3.13Å; L104-H108 WeakPolarHBondContact O-CB 3.5Å; L104-H108 PolarHBondContact O-CD2 3.12Å; L104-H108 PolarHBondContact O-N 2.88Å; V105-H108 PolarHBondContact O-N 2.86Å; Y106-H108 VanDerWaalsContact C-N 3.33Å; Y106-H108 PolarHBondContact O-N 3.45Å; H108-T111 CarbonylContact C-O 3.49Å; H108-T111 WeakPolarHBondContact CA-O 3.49Å; H108-P112 PolarHBondContact CE1-O 3Å; H108-P112 PolarHBondContact ND1-O 2.73Å; H108-L115 HydrophobicContact CB-CD1 4.06Å; H108-L115 WeakPolarHBondContact ND1-CD1 3.13Å; H108-K118 WeakPolarHBondContact O-CA 3.21Å; H108-L119 HydrophobicContact CB-CB 4.42Å; H108-L119 HydrophobicContact CB-CD1 3.62Å; H108-L119 HydrophobicContact CB-CG 3.76Å; H108-L119 PolarHBondContact O-N 3.4Å
109S94.2Very high93.4Very high26 Ų2647.1 Ų47.118%0.18229%0.286CS..Hα-helixtrans-73.3-30171.479.80000112.8V105 Y106 Q107 L119V105-S109 PolarHBondContact O-N 3.05Å; Y106-S109 WeakPolarHBondContact O-CB 3.41Å; Y106-S109 PolarHBondContact O-N 3.38Å; Y106-S109 VanDerWaalsContact O-N 3.11Å; Y106-S109 PolarHBondContact O-OG 2.77Å; Q107-S109 PolarHBondContact O-N 2.77Å; S109-L119 WeakPolarHBondContact CA-O 3.24Å; S109-L119 WeakPolarHBondContact CB-O 3.44Å
110M92Very high93.3Very high98 Ų9847.4 Ų47.448%0.48327%0.272SS..Hα-helixtrans-83.6-41.9176.9-61.6-175.272.400111.8Y106 Q107 K118Y106-M110 HydrophobicContact CD1-SD 4.33Å; Y106-M110 HydrophobicContact CE1-SD 3.6Å; Y106-M110 VanDerWaalsContact CE1-SD 3.6Å; Y106-M110 PolarHBondContact O-N 3.45Å; Q107-M110 PolarHBondContact O-N 2.83Å; Q107-M110 VanDerWaalsContact O-N 3.08Å; M110-K118 WeakPolarHBondContact O-CD 3.44Å; M110-K118 WeakPolarHBondContact O-CE 2.87Å; M110-K118 PolarHBondContact O-NZ 3.29Å
111T92.9Very high93.2Very high52 Ų5248 Ų4832%0.31927%0.271SS..  trans-138.9136.5-175.3540000111.1Q107 H108 L113Q107-T111 PolarHBondContact NE2-OG1 3.36Å; Q107-T111 PolarHBondContact O-N 3.19Å; Q107-T111 PolarHBondContact O-OG1 3.49Å; H108-T111 CarbonylContact C-O 3.49Å; H108-T111 WeakPolarHBondContact CA-O 3.49Å; T111-L113 VanDerWaalsContact C-N 3.28Å; T111-L113 PolarHBondContact O-N 2.81Å
112P91.9Very high92.8Very high46 Ų4647.8 Ų47.830%0.29927%0.271SS..  trans-60.6-35.5-178.4-20.831.2000113.8H108 A114 L115 K118H108-P112 PolarHBondContact CE1-O 3Å; H108-P112 PolarHBondContact ND1-O 2.73Å; P112-A114 PolarHBondContact O-N 2.82Å; P112-L115 WeakPolarHBondContact CB-O 3.4Å; P112-L115 WeakPolarHBondContact O-CB 3.32Å; P112-L115 PolarHBondContact O-N 2.7Å; P112-K118 HydrophobicContact CG-CG 3.66Å
113L91.8Very high92Very high83 Ų8353.1 Ų53.144%0.43529%0.287SS..THydrogen-bonded Turntrans51.2-120.1-170.4-59176.3000111.2E95 F98 Q107 T111 L115E95-L113 HydrophobicContact CG-CD1 4.42Å; E95-L113 WeakPolarHBondContact OE1-CB 3.22Å; F98-L113 HydrophobicContact CZ-CD1 3.78Å; Q107-L113 HydrophobicContact CG-CD1 3.7Å; T111-L113 VanDerWaalsContact C-N 3.28Å; T111-L113 PolarHBondContact O-N 2.81Å; L113-L115 VanDerWaalsContact C-N 3.26Å; L113-L115 PolarHBondContact O-N 2.82Å
114A91.8Very high91.1Very high44 Ų4455.7 Ų55.736%0.36429%0.289SS..THydrogen-bonded Turntrans-76.2-10.617900000113.9L89 C92 E95 P112L89-A114 HydrophobicContact CD1-CB 4.31Å; C92-A114 HydrophobicContact CB-CB 3.74Å; E95-A114 PolarHBondContact OE1-N 2.83Å; P112-A114 PolarHBondContact O-N 2.82Å
115L93.4Very high90.2Very high7 Ų757.4 Ų57.44%0.03730%0.298CS..SBendtrans-82.5150.8179.4-61.5178.8000111.7L54 L56 F78 L89 H108 P112 L113 C117 L119L54-L115 HydrophobicContact CD2-CD1 3.94Å; L54-L115 HydrophobicContact CD2-CD2 3.92Å; L56-L115 HydrophobicContact CD2-CB 4.24Å; L56-L115 HydrophobicContact CD2-CD1 4.36Å; L56-L115 HydrophobicContact CD2-CD2 4.43Å; F78-L115 HydrophobicContact CD1-CD2 3.89Å; F78-L115 HydrophobicContact CD2-CD2 3.8Å; F78-L115 HydrophobicContact CE1-CD2 3.93Å; F78-L115 HydrophobicContact CE2-CD2 3.86Å; F78-L115 HydrophobicContact CG-CD2 3.84Å; F78-L115 HydrophobicContact CZ-CD2 3.94Å; L89-L115 HydrophobicContact CD1-CD2 3.61Å; L89-L115 HydrophobicContact CD1-CG 3.94Å; H108-L115 HydrophobicContact CB-CD1 4.06Å; H108-L115 WeakPolarHBondContact ND1-CD1 3.13Å; P112-L115 WeakPolarHBondContact CB-O 3.4Å; P112-L115 WeakPolarHBondContact O-CB 3.32Å; P112-L115 PolarHBondContact O-N 2.7Å; L113-L115 VanDerWaalsContact C-N 3.26Å; L113-L115 PolarHBondContact O-N 2.82Å; L115-C117 WeakPolarHBondContact CB-O 3.44Å; L115-C117 PolarHBondContact O-N 3.17Å; L115-L119 HydrophobicContact CD1-CD1 4.24Å; L115-L119 HydrophobicContact CD1-CD2 3.77Å; L115-L119 HydrophobicContact CD1-CG 3.91Å
116P90.9Very high89.1Confident79 Ų7957.9 Ų57.951%0.51330%0.301SS..SBendtrans-65.4-19.7179.625.1-35.2000113.9L56 V58 F78L56-P116 HydrophobicContact CD2-CG 3.96Å; V58-P116 HydrophobicContact CG1-CB 4.18Å; V58-P116 HydrophobicContact CG1-CG 3.49Å; V58-P116 VanDerWaalsContact CG1-CG 3.49Å; F78-P116 VanDerWaalsContact CZ-CD 3.44Å; F78-P116 HydrophobicContact CZ-CG 4Å
117C93.3Very high88.1Confident31 Ų3155.3 Ų55.321%0.20930%0.302CS..SBendtrans-155.8168.7175.259.60000110.1L115L115-C117 WeakPolarHBondContact CB-O 3.44Å; L115-C117 PolarHBondContact O-N 3.17Å
118K95.1Very high86.7Confident104 Ų10455.7 Ų55.745%0.45231%0.306SS..  trans-66.6148.8175.8-58.9-173.2-173.8-166.90110.6G38 H108 M110 P112G38-K118 VanDerWaalsContact CA-O 3.25Å; G38-K118 WeakPolarHBondContact CA-O 3.28Å; H108-K118 WeakPolarHBondContact O-CA 3.21Å; M110-K118 WeakPolarHBondContact O-CD 3.44Å; M110-K118 WeakPolarHBondContact O-CE 2.87Å; M110-K118 PolarHBondContact O-NZ 3.29Å; P112-K118 HydrophobicContact CG-CG 3.66Å
119L95.7Very high84.7Confident2 Ų257.9 Ų57.91%0.0132%0.321CS..  trans-75.8131.2168.7-62.3-175.5000110F40 L54 L56 V105 H108 S109 L115F40-L119 HydrophobicContact CB-CD2 3.86Å; F40-L119 HydrophobicContact CD1-CB 3.82Å; F40-L119 HydrophobicContact CD1-CD1 4.45Å; F40-L119 HydrophobicContact CD1-CD2 3.96Å; F40-L119 HydrophobicContact CD1-CG 4.28Å; F40-L119 HydrophobicContact CD2-CD1 4.18Å; F40-L119 HydrophobicContact CD2-CD2 4.32Å; F40-L119 HydrophobicContact CE1-CB 3.79Å; F40-L119 HydrophobicContact CE1-CD1 4.42Å; F40-L119 HydrophobicContact CE2-CD1 4.13Å; F40-L119 HydrophobicContact CG-CB 4.43Å; F40-L119 HydrophobicContact CG-CD1 4.35Å; F40-L119 HydrophobicContact CG-CD2 3.78Å; F40-L119 HydrophobicContact CG-CG 4.4Å; F40-L119 HydrophobicContact CZ-CB 4.38Å; F40-L119 HydrophobicContact CZ-CD1 4.27Å; L54-L119 HydrophobicContact CD1-CD2 4.44Å; L56-L119 HydrophobicContact CD1-CD2 3.67Å; L56-L119 HydrophobicContact CD2-CD2 4.3Å; L56-L119 HydrophobicContact CG-CD2 4.49Å; V105-L119 HydrophobicContact CG1-CD1 4.48Å; V105-L119 HydrophobicContact CG2-CD1 4.46Å; H108-L119 HydrophobicContact CB-CB 4.42Å; H108-L119 HydrophobicContact CB-CD1 3.62Å; H108-L119 HydrophobicContact CB-CG 3.76Å; H108-L119 PolarHBondContact O-N 3.4Å; S109-L119 WeakPolarHBondContact CA-O 3.24Å; S109-L119 WeakPolarHBondContact CB-O 3.44Å; L115-L119 HydrophobicContact CD1-CD1 4.24Å; L115-L119 HydrophobicContact CD1-CD2 3.77Å; L115-L119 HydrophobicContact CD1-CG 3.91Å
120L92.4Very high82.4Confident72 Ų7260.5 Ų60.538%0.37734%0.336SS..  trans-96.5109173.9-61.8-179.2000108.6Q36 P37 G38 F40 P122Q36-L120 HydrophobicContact CG-CD1 3.9Å; Q36-L120 VanDerWaalsContact NE2-CD1 3.3Å; P37-L120 WeakPolarHBondContact O-CD1 3.5Å; G38-L120 PolarHBondContact O-N 2.82Å; F40-L120 WeakPolarHBondContact CE1-O 3.09Å; L120-P122 VanDerWaalsContact O-CD 3.3Å; L120-P122 WeakPolarHBondContact O-CD 3.43Å
121L90.8Very high80.2Confident66 Ų6663.1 Ų63.135%0.34635%0.347SS..  trans-60.5118.9177.9-72173.8000109.6F40 V105F40-L121 HydrophobicContact CZ-CD2 4.31Å; V105-L121 HydrophobicContact CG1-CD2 3.6Å
122P84.3Confident78.1Confident21 Ų2165.6 Ų65.614%0.13636%0.355CS..  trans-73.5140.1179.128.7-34.2000111.4F17 W18 L120 Y124F17-P122 HydrophobicContact CB-CB 4.17Å; F17-P122 HydrophobicContact CB-CG 3.71Å; F17-P122 WeakPolarHBondContact CD2-O 3.5Å; W18-P122 HydrophobicContact CB-CG 3.9Å; W18-P122 HydrophobicContact CG-CG 4.35Å; L120-P122 VanDerWaalsContact O-CD 3.3Å; L120-P122 WeakPolarHBondContact O-CD 3.43Å; P122-Y124 WeakPolarHBondContact CB-O 3.4Å
123E77.3Confident76.1Confident167 Ų16764 Ų6478%0.7834%0.344SS*.SBendtrans-89-11.6172.5-61.8-173.7169.300112.8F17F17-E123 WeakPolarHBondContact CE2-O 3.45Å
124Y74Confident74.1Confident92 Ų9263 Ų6336%0.36134%0.341SS..SBendtrans-147.6166.6-176.352-102.4000110.6P122 P126 I133P122-Y124 WeakPolarHBondContact CB-O 3.4Å; Y124-P126 VanDerWaalsContact O-CD 3.27Å; Y124-P126 WeakPolarHBondContact O-CD 3.23Å; Y124-I133 HydrophobicContact CD2-CD1 3.14Å; Y124-I133 HydrophobicContact CD2-CG1 4.26Å; Y124-I133 HydrophobicContact CE2-CD1 3.41Å; Y124-I133 VanDerWaalsContact CE2-CD1 3.41Å; Y124-I133 HydrophobicContact CG-CD1 3.75Å; Y124-I133 HydrophobicContact CG-CG2 4.36Å
125D76.7Confident72.3Confident36 Ų3664.4 Ų64.419%0.19335%0.345CS..  trans-66.2115.9179.3-165.3-27.8000111F17 K20 A127 L128F17-D125 HydrophobicContact CD1-CB 4.16Å; K20-D125 IonicContact NZ-OD1 3.79Å; K20-D125 IonicContact NZ-OD2 3.81Å; K20-D125 PolarHBondContact NZ-OD2 3.16Å; D125-A127 PolarHBondContact O-N 2.91Å; D125-A127 WeakPolarHBondContact OD1-CB 3.29Å; D125-A127 PolarHBondContact OD1-N 3.44Å; D125-L128 HydrophobicContact CB-CD1 4Å; D125-L128 HydrophobicContact CB-CG 4.08Å; D125-L128 PolarHBondContact O-N 3.49Å; D125-L128 VanDerWaalsContact O-N 3.09Å
126P70.8Confident70.4Confident10 Ų1066.2 Ų66.27%0.06536%0.361CS..THydrogen-bonded Turntrans-64.3-21.9-178.926.1-33.2000112.8F17 V31 K35 I41 Y124 L128F17-P126 WeakPolarHBondContact O-CD 3.46Å; F17-P126 WeakPolarHBondContact O-CG 3.33Å; V31-P126 VanDerWaalsContact CG1-C 3.46Å; V31-P126 HydrophobicContact CG1-CB 3.95Å; V31-P126 HydrophobicContact CG1-CG 4.37Å; V31-P126 WeakPolarHBondContact CG1-O 3.4Å; K35-P126 WeakPolarHBondContact CE-O 3.27Å; K35-P126 PolarHBondContact NZ-O 3.45Å; I41-P126 HydrophobicContact CD1-CG 4.19Å; I41-P126 HydrophobicContact CG1-CG 4.17Å; Y124-P126 VanDerWaalsContact O-CD 3.27Å; Y124-P126 WeakPolarHBondContact O-CD 3.23Å; P126-L128 PolarHBondContact O-N 3.11Å
127A71.5Confident68.7Low54 Ų5467.6 Ų67.645%0.44636%0.361SS..THydrogen-bonded Turntrans-70.1-18.3176.400000113.1V31 D125V31-A127 HydrophobicContact CG1-CB 4.3Å; V31-A127 HydrophobicContact CG2-CB 3.95Å; D125-A127 PolarHBondContact O-N 2.91Å; D125-A127 WeakPolarHBondContact OD1-CB 3.29Å; D125-A127 PolarHBondContact OD1-N 3.44Å
128L65.1Low66.9Low80 Ų8071.5 Ų71.542%0.41938%0.376SS..SBendtrans-83.6136.8171.4-59.9175.2000109.5K35 D125 P126 I133K35-L128 PolarHBondContact NZ-O 2.79Å; D125-L128 HydrophobicContact CB-CD1 4Å; D125-L128 HydrophobicContact CB-CG 4.08Å; D125-L128 PolarHBondContact O-N 3.49Å; D125-L128 VanDerWaalsContact O-N 3.09Å; P126-L128 PolarHBondContact O-N 3.11Å; L128-I133 HydrophobicContact CB-CD1 4.03Å; L128-I133 HydrophobicContact CB-CG1 3.73Å
129S52.9Low65Low46 Ų4670.4 Ų70.432%0.32238%0.375SS..  trans-66.9149.1173.673.50000109.7E131 Q132 I133S129-E131 PolarHBondContact O-N 2.77Å; S129-Q132 WeakPolarHBondContact O-CA 3.09Å; S129-Q132 WeakPolarHBondContact O-CB 3.36Å; S129-Q132 PolarHBondContact O-N 3.32Å; S129-Q132 WeakPolarHBondContact OG-CB 3.37Å; S129-Q132 WeakPolarHBondContact OG-CG 3.21Å; S129-Q132 PolarHBondContact OG-N 2.9Å; S129-Q132 VanDerWaalsContact OG-N 3.17Å; S129-Q132 PolarHBondContact OG-OE1 3.23Å; S129-I133 WeakPolarHBondContact O-CD1 3.17Å; S129-I133 WeakPolarHBondContact O-CG1 3.39Å; S129-I133 PolarHBondContact O-N 2.91Å
130V45.8Very low63.4Low81 Ų8173.4 Ų73.449%0.49139%0.391SS..Hα-helixtrans-57.3-35.6179.1178.90000110.6I133 T134V130-I133 PolarHBondContact O-N 3.12Å; V130-T134 PolarHBondContact O-N 3.2Å; V130-T134 PolarHBondContact O-OG1 3.33Å; V130-T134 VanDerWaalsContact O-OG1 3.11Å
131E46.6Very low61.8Low152 Ų15275.9 Ų75.971%0.7140%0.404SS*.Hα-helixtrans-63.4-41.1173.5-67.7-179.916900113.2S129 I133 T134 T135S129-E131 PolarHBondContact O-N 2.77Å; E131-I133 VanDerWaalsContact C-N 3.31Å; E131-T134 WeakPolarHBondContact CA-OG1 3.11Å; E131-T134 PolarHBondContact O-OG1 2.71Å; E131-T135 WeakPolarHBondContact O-CB 3.32Å; E131-T135 WeakPolarHBondContact O-CG2 3.5Å; E131-T135 PolarHBondContact O-N 3.01Å; E131-T135 PolarHBondContact O-OG1 3.17Å
132Q48.6Very low60.6Low105 Ų10579.5 Ų79.549%0.49142%0.419SS..Hα-helixtrans-66.7-34.2173.9-77170.8-1600111.7S129 T135 A136S129-Q132 WeakPolarHBondContact O-CA 3.09Å; S129-Q132 WeakPolarHBondContact O-CB 3.36Å; S129-Q132 PolarHBondContact O-N 3.32Å; S129-Q132 WeakPolarHBondContact OG-CB 3.37Å; S129-Q132 WeakPolarHBondContact OG-CG 3.21Å; S129-Q132 PolarHBondContact OG-N 2.9Å; S129-Q132 VanDerWaalsContact OG-N 3.17Å; S129-Q132 PolarHBondContact OG-OE1 3.23Å; Q132-T135 WeakPolarHBondContact CA-OG1 3.48Å; Q132-T135 PolarHBondContact O-OG1 3.45Å; Q132-T135 VanDerWaalsContact O-OG1 3.12Å; Q132-A136 WeakPolarHBondContact O-CB 3.2Å; Q132-A136 PolarHBondContact O-N 2.98Å
133I49.7Very low59.9Low13 Ų1379.1 Ų79.17%0.06742%0.419CS..Hα-helixtrans-71.3-46.3177.2-64.9153.8000110.3Y124 L128 S129 V130 E131 T135 A136 Q137Y124-I133 HydrophobicContact CD2-CD1 3.14Å; Y124-I133 HydrophobicContact CD2-CG1 4.26Å; Y124-I133 HydrophobicContact CE2-CD1 3.41Å; Y124-I133 VanDerWaalsContact CE2-CD1 3.41Å; Y124-I133 HydrophobicContact CG-CD1 3.75Å; Y124-I133 HydrophobicContact CG-CG2 4.36Å; L128-I133 HydrophobicContact CB-CD1 4.03Å; L128-I133 HydrophobicContact CB-CG1 3.73Å; S129-I133 WeakPolarHBondContact O-CD1 3.17Å; S129-I133 WeakPolarHBondContact O-CG1 3.39Å; S129-I133 PolarHBondContact O-N 2.91Å; V130-I133 PolarHBondContact O-N 3.12Å; E131-I133 VanDerWaalsContact C-N 3.31Å; I133-T135 VanDerWaalsContact C-N 3.34Å; I133-T135 PolarHBondContact O-N 3.09Å; I133-A136 PolarHBondContact O-N 3.48Å; I133-Q137 VanDerWaalsContact CG2-OE1 3.29Å; I133-Q137 VanDerWaalsContact O-CB 3.3Å; I133-Q137 WeakPolarHBondContact O-CB 3.4Å; I133-Q137 PolarHBondContact O-N 2.89Å
134T49.5Very low60.1Low62 Ų6272.6 Ų72.638%0.3839%0.393SS..Hα-helixtrans-62.4-42.4177.847.10000111.3V130 E131 Q138V130-T134 PolarHBondContact O-N 3.2Å; V130-T134 PolarHBondContact O-OG1 3.33Å; V130-T134 VanDerWaalsContact O-OG1 3.11Å; E131-T134 WeakPolarHBondContact CA-OG1 3.11Å; E131-T134 PolarHBondContact O-OG1 2.71Å; T134-Q138 WeakPolarHBondContact O-CB 3.17Å; T134-Q138 WeakPolarHBondContact O-CG 3.41Å; T134-Q138 PolarHBondContact O-N 3Å
135T53.5Low60.7Low73 Ų7370.2 Ų70.245%0.44839%0.393SS..Hα-helixtrans-68.6-42.2176.744.50000111.8E131 Q132 I133 L139E131-T135 WeakPolarHBondContact O-CB 3.32Å; E131-T135 WeakPolarHBondContact O-CG2 3.5Å; E131-T135 PolarHBondContact O-N 3.01Å; E131-T135 PolarHBondContact O-OG1 3.17Å; Q132-T135 WeakPolarHBondContact CA-OG1 3.48Å; Q132-T135 PolarHBondContact O-OG1 3.45Å; Q132-T135 VanDerWaalsContact O-OG1 3.12Å; I133-T135 VanDerWaalsContact C-N 3.34Å; I133-T135 PolarHBondContact O-N 3.09Å; T135-L139 WeakPolarHBondContact O-CB 3.47Å; T135-L139 WeakPolarHBondContact O-CD1 3.34Å; T135-L139 WeakPolarHBondContact O-CG 3.1Å; T135-L139 PolarHBondContact O-N 3.36Å
136A53.4Low61.4Low45 Ų4569.2 Ų69.237%0.37239%0.388SS..Hα-helixtrans-66.4-42.3176.800000112.7Q132 I133 L139 L140Q132-A136 WeakPolarHBondContact O-CB 3.2Å; Q132-A136 PolarHBondContact O-N 2.98Å; I133-A136 PolarHBondContact O-N 3.48Å; A136-L139 PolarHBondContact O-N 3.03Å; A136-L140 VanDerWaalsContact O-CB 3.28Å; A136-L140 WeakPolarHBondContact O-CB 3.48Å; A136-L140 VanDerWaalsContact O-CD1 3.32Å; A136-L140 WeakPolarHBondContact O-CD1 3.41Å; A136-L140 WeakPolarHBondContact O-CG 3.41Å; A136-L140 PolarHBondContact O-N 3.13Å
137Q55.4Low62.4Low107 Ų10770.9 Ų70.950%0.540%0.397SS..Hα-helixtrans-68-42.3175-88.2175.5-45.100111.8I133 L139 L140 D141I133-Q137 VanDerWaalsContact CG2-OE1 3.29Å; I133-Q137 VanDerWaalsContact O-CB 3.3Å; I133-Q137 WeakPolarHBondContact O-CB 3.4Å; I133-Q137 PolarHBondContact O-N 2.89Å; Q137-L139 VanDerWaalsContact C-N 3.34Å; Q137-L139 PolarHBondContact O-N 3.07Å; Q137-L140 WeakPolarHBondContact O-CB 3.36Å; Q137-L140 PolarHBondContact O-N 2.95Å; Q137-D141 WeakPolarHBondContact O-CB 3.3Å; Q137-D141 PolarHBondContact O-N 3.48Å
138Q55.1Low63.4Low113 Ų11368.4 Ų68.453%0.52838%0.376SS..Hα-helixtrans-64-39.2173.3-75.3174.9-17.900111.6T134 L140 D141 Q142T134-Q138 WeakPolarHBondContact O-CB 3.17Å; T134-Q138 WeakPolarHBondContact O-CG 3.41Å; T134-Q138 PolarHBondContact O-N 3Å; Q138-L140 VanDerWaalsContact C-N 3.34Å; Q138-D141 PolarHBondContact O-N 3.33Å; Q138-Q142 WeakPolarHBondContact O-CA 3.46Å; Q138-Q142 WeakPolarHBondContact O-CB 3.3Å; Q138-Q142 PolarHBondContact O-N 2.99Å
139L56.6Low64.7Low82 Ų8265.8 Ų65.843%0.42936%0.363SS..Hα-helixtrans-67.6-32.7172.9-78.1164.4000112.3T135 A136 Q137 G143 A144T135-L139 WeakPolarHBondContact O-CB 3.47Å; T135-L139 WeakPolarHBondContact O-CD1 3.34Å; T135-L139 WeakPolarHBondContact O-CG 3.1Å; T135-L139 PolarHBondContact O-N 3.36Å; A136-L139 PolarHBondContact O-N 3.03Å; Q137-L139 VanDerWaalsContact C-N 3.34Å; Q137-L139 PolarHBondContact O-N 3.07Å; L139-G143 CarbonylContact O-C 3.48Å; L139-G143 VanDerWaalsContact O-C 3.24Å; L139-G143 WeakPolarHBondContact O-CA 2.97Å; L139-G143 PolarHBondContact O-N 3.11Å; L139-A144 HydrophobicContact CD2-CB 4.33Å
140L61.8Low66.6Low65 Ų6564.2 Ų64.234%0.3435%0.35SS..Hα-helixtrans-69-43.7173.9-84157.1000111.6A136 Q137 Q138 S192 V273A136-L140 VanDerWaalsContact O-CB 3.28Å; A136-L140 WeakPolarHBondContact O-CB 3.48Å; A136-L140 VanDerWaalsContact O-CD1 3.32Å; A136-L140 WeakPolarHBondContact O-CD1 3.41Å; A136-L140 WeakPolarHBondContact O-CG 3.41Å; A136-L140 PolarHBondContact O-N 3.13Å; Q137-L140 WeakPolarHBondContact O-CB 3.36Å; Q137-L140 PolarHBondContact O-N 2.95Å; Q138-L140 VanDerWaalsContact C-N 3.34Å; L140-S192 PolarHBondContact O-N 3.47Å; L140-S192 VanDerWaalsContact O-N 3.15Å; L140-V273 HydrophobicContact CD2-CB 4.23Å; L140-V273 HydrophobicContact CD2-CG1 3.81Å; L140-V273 HydrophobicContact CD2-CG2 3.72Å
141D57.7Low68.8Low124 Ų12460.3 Ų60.366%0.66333%0.327SS*.Hα-helixtrans-79.7-47-176.9-78.2-15.4000112.7Q137 Q138 G143Q137-D141 WeakPolarHBondContact O-CB 3.3Å; Q137-D141 PolarHBondContact O-N 3.48Å; Q138-D141 PolarHBondContact O-N 3.33Å; D141-G143 VanDerWaalsContact C-N 3.32Å
142Q65.7Low70.9Confident142 Ų14255.5 Ų55.566%0.66430%0.304SS*.Hα-helixtrans-75-26.1174.8-67.4-172-4.800111.9Q138 K189Q138-Q142 WeakPolarHBondContact O-CA 3.46Å; Q138-Q142 WeakPolarHBondContact O-CB 3.3Å; Q138-Q142 PolarHBondContact O-N 2.99Å; Q142-K189 WeakPolarHBondContact O-CE 2.95Å; Q142-K189 PolarHBondContact O-NZ 2.73Å
143G70Confident73.1Confident12 Ų1251.7 Ų51.712%0.12429%0.289CS..  trans79.6148.9-169.100000112.5L139 D141 V190L139-G143 CarbonylContact O-C 3.48Å; L139-G143 VanDerWaalsContact O-C 3.24Å; L139-G143 WeakPolarHBondContact O-CA 2.97Å; L139-G143 PolarHBondContact O-N 3.11Å; D141-G143 VanDerWaalsContact C-N 3.32Å; G143-V190 CarbonylContact C-O 3.51Å; G143-V190 WeakPolarHBondContact CA-O 3.22Å
144A81.7Confident75.2Confident30 Ų3052.8 Ų52.825%0.24830%0.295CS..EExtended strand (participates in β ladder)trans-85.1142.1165.900000109.3L139 K189 V190 F269L139-A144 HydrophobicContact CD2-CB 4.33Å; A144-K189 CarbonylContact O-C 3.59Å; A144-K189 WeakPolarHBondContact O-CA 3.43Å; A144-V190 PolarHBondContact N-O 2.78Å; A144-V190 PolarHBondContact O-N 3.41Å; A144-F269 HydrophobicContact CB-CD1 4.05Å; A144-F269 HydrophobicContact CB-CE1 3.51Å; A144-F269 HydrophobicContact CB-CE2 4.27Å; A144-F269 HydrophobicContact CB-CZ 3.63Å
145A87.2Confident77.3Confident42 Ų4255.1 Ų55.135%0.34730%0.301SS..EExtended strand (participates in β ladder)trans-135143.4177.200000111.9H187 L188 K189A145-H187 WeakPolarHBondContact CB-CE1 3.49Å; A145-H187 WeakPolarHBondContact CB-NE2 3.32Å; A145-L188 CarbonylContact C-O 3.57Å; A145-L188 VanDerWaalsContact CA-O 3.25Å; A145-L188 WeakPolarHBondContact CA-O 3.48Å; A145-K189 HydrophobicContact CB-CB 3.95Å; A145-K189 HydrophobicContact CB-CG 4.14Å
146C90.1Very high79.2Confident15 Ų1552.1 Ų52.110%0.10128%0.283CS..EExtended strand (participates in β ladder)trans-145.2158-17454.40000111H187 L188 Q261C146-H187 CarbonylContact O-C 3.44Å; C146-H187 WeakPolarHBondContact O-CA 3.38Å; C146-L188 PolarHBondContact N-O 3.31Å; C146-L188 PolarHBondContact O-N 2.9Å; C146-Q261 VanDerWaalsContact CA-OE1 3.27Å
147N91.5Very high80.9Confident46 Ų4657 Ų5725%0.24630%0.298CS..EExtended strand (participates in β ladder)trans-92.2136.5164.1-66.2-54.3000109.9V185 V186 N200 L257 E258N147-V185 HydrophobicContact CB-CG1 4.13Å; N147-V186 WeakPolarHBondContact CA-O 3.37Å; N147-N200 PolarHBondContact OD1-ND2 2.93Å; N147-N200 VanDerWaalsContact OD1-ND2 3.11Å; N147-L257 HydrophobicContact CB-CD2 3.78Å; N147-E258 PolarHBondContact ND2-OE1 3.45Å
148V92.6Very high82.6Confident2 Ų256.4 Ų56.41%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-137.8160.1176.5-63.20000109.7V186 L188 F236 F254 I266V148-V186 HydrophobicContact CG2-CG2 3.63Å; V148-V186 PolarHBondContact N-O 3.22Å; V148-V186 PolarHBondContact O-N 2.95Å; V148-L188 HydrophobicContact CG1-CD2 4.46Å; V148-L188 HydrophobicContact CG2-CB 3.8Å; V148-L188 HydrophobicContact CG2-CD2 4.3Å; V148-F236 HydrophobicContact CB-CZ 4.42Å; V148-F236 HydrophobicContact CG1-CE1 4.16Å; V148-F236 HydrophobicContact CG1-CZ 4.01Å; V148-F236 HydrophobicContact CG2-CZ 4.48Å; V148-F254 HydrophobicContact CB-CB 4.49Å; V148-F254 HydrophobicContact CG2-CB 4.31Å; V148-F254 HydrophobicContact CG2-CD1 3.61Å; V148-F254 HydrophobicContact CG2-CE1 4.31Å; V148-F254 HydrophobicContact CG2-CG 4.23Å; V148-I266 HydrophobicContact CG1-CD1 3.64Å
149T92.3Very high84.4Confident24 Ų2454.4 Ų54.415%0.14730%0.298CS..EExtended strand (participates in β ladder)trans-87.3112.7174.2-50.90000108.7L151 P183 I184 F254 A255T149-L151 HydrophobicContact CG2-CD2 3.78Å; T149-P183 HydrophobicContact CG2-CB 3.62Å; T149-I184 CarbonylContact C-O 3.59Å; T149-F254 CarbonylContact O-C 3.33Å; T149-F254 WeakPolarHBondContact O-CA 3.4Å; T149-A255 PolarHBondContact N-O 3.46Å; T149-A255 PolarHBondContact O-N 3.18Å
150Y93.2Very high86.2Confident13 Ų1354 Ų545%0.05130%0.299CS..EExtended strand (participates in β ladder)trans-77122.8170.9175.2-90.7000109.9S153 P183 I184 V186 K204 F205 F254Y150-S153 VanDerWaalsContact CE2-OG 3.28Å; Y150-S153 WeakPolarHBondContact CE2-OG 3.45Å; Y150-S153 VanDerWaalsContact CZ-OG 3.24Å; Y150-S153 WeakPolarHBondContact OH-CB 3.12Å; Y150-S153 PolarHBondContact OH-OG 3.39Å; Y150-P183 VanDerWaalsContact O-CA 3.31Å; Y150-P183 WeakPolarHBondContact O-CA 3.41Å; Y150-I184 HydrophobicContact CD1-CD1 4.18Å; Y150-I184 HydrophobicContact CD1-CG1 3.91Å; Y150-I184 HydrophobicContact CG-CG1 4.34Å; Y150-I184 PolarHBondContact N-O 2.76Å; Y150-I184 PolarHBondContact O-N 3.36Å; Y150-V186 HydrophobicContact CG-CG1 4.29Å; Y150-K204 HydrophobicContact CE1-CD 4.38Å; Y150-F205 HydrophobicContact CD1-CE1 4.42Å; Y150-F205 HydrophobicContact CD2-CZ 4.46Å; Y150-F205 HydrophobicContact CE1-CE1 4.08Å; Y150-F205 HydrophobicContact CE2-CE1 4.17Å; Y150-F205 HydrophobicContact CE2-CZ 4.39Å; Y150-F205 AromaticContact CZ-CE1 3.91Å; Y150-F254 HydrophobicContact CD2-CD1 4.15Å; Y150-F254 AromaticContact CD2-CE1 3.64Å; Y150-F254 HydrophobicContact CD2-CE1 3.64Å; Y150-F254 HydrophobicContact CD2-CZ 4.19Å; Y150-F254 HydrophobicContact CG-CE1 4.5Å
151L92.4Very high87.7Confident0 Ų051.4 Ų51.40%029%0.289CS..EExtended strand (participates in β ladder)trans-96.1-62.2-177.5-52.4-172.1000110.4T149 T172 L181 P183 F226 I235 V253 A255T149-L151 HydrophobicContact CG2-CD2 3.78Å; L151-T172 HydrophobicContact CB-CG2 3.94Å; L151-T172 HydrophobicContact CD1-CG2 4.28Å; L151-L181 WeakPolarHBondContact O-CD1 3.3Å; L151-P183 HydrophobicContact CD2-CB 4.05Å; L151-P183 HydrophobicContact CD2-CG 4.34Å; L151-F226 HydrophobicContact CB-CZ 4.34Å; L151-F226 HydrophobicContact CD1-CE1 4.14Å; L151-F226 HydrophobicContact CD1-CE2 4.08Å; L151-F226 HydrophobicContact CD1-CZ 3.71Å; L151-F226 HydrophobicContact CD2-CE1 3.58Å; L151-F226 HydrophobicContact CD2-CZ 3.59Å; L151-F226 HydrophobicContact CG-CE1 4.44Å; L151-F226 HydrophobicContact CG-CZ 4.08Å; L151-I235 HydrophobicContact CD1-CG2 3.98Å; L151-V253 HydrophobicContact CD1-CG1 4.06Å; L151-V253 PolarHBondContact N-O 3.12Å; L151-A255 HydrophobicContact CD1-CB 4.14Å; L151-A255 HydrophobicContact CD2-CB 4.06Å; L151-A255 HydrophobicContact CG-CB 4.32Å
152F91.8Very high89.4Confident51 Ų5148.6 Ų48.622%0.22428%0.277CS..EExtended strand (participates in β ladder)trans-155.7163.6-168.9-168.1-114.2000111.9N154 T168 V171 T172 L181 V253F152-N154 HydrophobicContact CD1-CB 4.26Å; F152-N154 HydrophobicContact CE1-CB 3.78Å; F152-T168 HydrophobicContact CD1-CG2 4.12Å; F152-V171 HydrophobicContact CD1-CG1 4.25Å; F152-V171 HydrophobicContact CE1-CB 4.21Å; F152-V171 HydrophobicContact CE1-CG1 3.48Å; F152-V171 VanDerWaalsContact CE1-CG1 3.48Å; F152-V171 HydrophobicContact CZ-CG1 3.88Å; F152-T172 HydrophobicContact CB-CG2 4.03Å; F152-T172 VanDerWaalsContact CB-OG1 3.3Å; F152-T172 WeakPolarHBondContact CB-OG1 3.48Å; F152-L181 HydrophobicContact CB-CD1 4.15Å; F152-L181 HydrophobicContact CD2-CD1 4.03Å; F152-L181 HydrophobicContact CG-CD1 4.44Å; F152-V253 PolarHBondContact N-O 2.92Å; F152-V253 PolarHBondContact O-N 3.21Å
153S93.8Very high90.8Very high25 Ų2546.5 Ų46.518%0.17527%0.267CS..EExtended strand (participates in β ladder)trans-141.5134.8166.1-61.40000110.4Y150 C251 H252Y150-S153 VanDerWaalsContact CE2-OG 3.28Å; Y150-S153 WeakPolarHBondContact CE2-OG 3.45Å; Y150-S153 VanDerWaalsContact CZ-OG 3.24Å; Y150-S153 WeakPolarHBondContact OH-CB 3.12Å; Y150-S153 PolarHBondContact OH-OG 3.39Å; S153-C251 CarbonylContact C-O 3.57Å; S153-C251 WeakPolarHBondContact CA-O 3.29Å; S153-H252 WeakPolarHBondContact CB-ND1 3.28Å; S153-H252 PolarHBondContact OG-CE1 3.44Å; S153-H252 PolarHBondContact OG-ND1 2.99Å
154N93.3Very high92Very high35 Ų3546 Ų4619%0.18726%0.262CS..EExtended strand (participates in β ladder)trans-119.6135.7-178.7-168.633.4000109.3F152 T156 T168 V250 C251F152-N154 HydrophobicContact CD1-CB 4.26Å; F152-N154 HydrophobicContact CE1-CB 3.78Å; N154-T156 HydrophobicContact CB-CG2 4.28Å; N154-T156 PolarHBondContact O-N 3.3Å; N154-T168 HydrophobicContact CB-CG2 3.66Å; N154-V250 WeakPolarHBondContact O-CA 3.15Å; N154-V250 WeakPolarHBondContact O-CG2 3.47Å; N154-C251 PolarHBondContact N-O 3.07Å; N154-C251 PolarHBondContact O-N 2.96Å
155E93.9Very high92.6Very high112 Ų11244.6 Ų44.652%0.52325%0.25SS..EExtended strand (participates in β ladder)trans-75109.8165.7-58-161.7-177.900106.7E157 K242E155-E157 VanDerWaalsContact C-N 3.3Å; E155-K242 IonicContact OE1-NZ 2.75Å; E155-K242 PolarHBondContact OE1-NZ 3.5Å; E155-K242 IonicContact OE2-NZ 2.79Å; E155-K242 PolarHBondContact OE2-NZ 2.72Å
156T93.4Very high92.9Very high10 Ų1047.6 Ų47.66%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-95.111.2-175.360.10000112.1N154 S158 L159 A164 T168 N249 C251N154-T156 HydrophobicContact CB-CG2 4.28Å; N154-T156 PolarHBondContact O-N 3.3Å; T156-S158 PolarHBondContact O-N 3.15Å; T156-L159 WeakPolarHBondContact O-CA 2.93Å; T156-L159 WeakPolarHBondContact O-CB 3.4Å; T156-L159 PolarHBondContact O-N 3.35Å; T156-L159 PolarHBondContact OG1-O 2.97Å; T156-L159 VanDerWaalsContact OG1-O 3.1Å; T156-A164 HydrophobicContact CG2-CB 4.15Å; T156-T168 WeakPolarHBondContact CG2-OG1 3.37Å; T156-N249 PolarHBondContact N-O 2.89Å; T156-N249 WeakPolarHBondContact OG1-CB 3.49Å; T156-N249 PolarHBondContact OG1-O 2.73Å; T156-C251 HydrophobicContact CG2-CB 3.74Å
157E89.7Confident93.1Very high146 Ų14653.1 Ų53.168%0.68227%0.271SS*.EExtended strand (participates in β ladder)trans49.7-120.4-179.9-59177.6179.500110.7E155 N249E155-E157 VanDerWaalsContact C-N 3.3Å; E157-N249 PolarHBondContact N-O 3.09Å; E157-N249 VanDerWaalsContact O-CB 3.3Å; E157-N249 WeakPolarHBondContact O-CB 3.4Å; E157-N249 PolarHBondContact O-N 3.33Å; E157-N249 PolarHBondContact O-ND2 3.47Å
158S91.7Very high93.2Very high95 Ų9550.9 Ų50.966%0.66426%0.259SS*.THydrogen-bonded Turntrans-81.7-10.6177.755.80000114.4T156 N249T156-S158 PolarHBondContact O-N 3.15Å; S158-N249 PolarHBondContact O-ND2 2.98Å
159L93.1Very high93.2Very high71 Ų7151.2 Ų51.237%0.37226%0.261SS..  trans-68.5136.1-178.1-161.369.6000109.8T156 E163 A164 R167 N249T156-L159 WeakPolarHBondContact O-CA 2.93Å; T156-L159 WeakPolarHBondContact O-CB 3.4Å; T156-L159 PolarHBondContact O-N 3.35Å; T156-L159 PolarHBondContact OG1-O 2.97Å; T156-L159 VanDerWaalsContact OG1-O 3.1Å; L159-E163 HydrophobicContact CD1-CB 4.04Å; L159-E163 HydrophobicContact CD2-CB 4.39Å; L159-E163 HydrophobicContact CG-CB 4.22Å; L159-A164 HydrophobicContact CB-CB 4.42Å; L159-A164 HydrophobicContact CG-CB 4.21Å; L159-R167 HydrophobicContact CD2-CB 3.79Å; L159-R167 HydrophobicContact CD2-CG 4.17Å; L159-N249 WeakPolarHBondContact O-CB 3.31Å; L159-N249 PolarHBondContact O-ND2 2.99Å
160T93.3Very high93.1Very high73 Ų7353.6 Ų53.645%0.44827%0.273SS..  trans-137.9177.9-174.6-170.20000111.1A164T160-A164 PolarHBondContact O-N 2.79Å
161G92.9Very high93.1Very high12 Ų1254.2 Ų54.212%0.12428%0.278CS..Hα-helixtrans64.4-152.1171.600000113.4E163 A164 V165 H217G161-E163 VanDerWaalsContact C-N 3.26Å; G161-E163 PolarHBondContact O-N 2.88Å; G161-A164 PolarHBondContact O-N 2.68Å; G161-V165 PolarHBondContact O-N 3.04Å; G161-H217 PolarHBondContact O-CD2 2.96Å
162P93.4Very high93Very high65 Ų6554.2 Ų54.242%0.42228%0.278SS..Hα-helixtrans-60.2-34179.3-24.634.1000113.5A164 V165 R166P162-A164 PolarHBondContact O-N 3.28Å; P162-V165 PolarHBondContact O-N 3.1Å; P162-R166 PolarHBondContact O-N 3.39Å
163E94.8Very high92.8Very high98 Ų9854.8 Ų54.846%0.45828%0.283SS..Hα-helixtrans-67.8-36.1-178.3-63.4-55.1143.600112.3L159 G161 V165 R166 R167L159-E163 HydrophobicContact CD1-CB 4.04Å; L159-E163 HydrophobicContact CD2-CB 4.39Å; L159-E163 HydrophobicContact CG-CB 4.22Å; G161-E163 VanDerWaalsContact C-N 3.26Å; G161-E163 PolarHBondContact O-N 2.88Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-R166 VanDerWaalsContact CD-NH1 3.3Å; E163-R166 PolarHBondContact O-N 2.91Å; E163-R166 IonicContact OE1-CZ 2.7Å; E163-R166 IonicContact OE1-NH1 3.59Å; E163-R166 PolarHBondContact OE1-NH1 2.82Å; E163-R166 IonicContact OE2-NH1 2.79Å; E163-R166 PolarHBondContact OE2-NH1 2.92Å; E163-R166 VanDerWaalsContact OE2-NH1 3.07Å; E163-R167 VanDerWaalsContact O-CB 3.3Å; E163-R167 WeakPolarHBondContact O-CB 3.36Å; E163-R167 PolarHBondContact O-N 2.83Å
164A95.4Very high92.5Very high0 Ų058 Ų580%030%0.302CS..Hα-helixtrans-64.3-38.917300000112.2T156 L159 T160 G161 P162 T168 V239T156-A164 HydrophobicContact CG2-CB 4.15Å; L159-A164 HydrophobicContact CB-CB 4.42Å; L159-A164 HydrophobicContact CG-CB 4.21Å; T160-A164 PolarHBondContact O-N 2.79Å; G161-A164 PolarHBondContact O-N 2.68Å; P162-A164 PolarHBondContact O-N 3.28Å; A164-T168 WeakPolarHBondContact O-CB 3.38Å; A164-T168 PolarHBondContact O-N 3.32Å; A164-T168 VanDerWaalsContact O-N 3.13Å; A164-T168 PolarHBondContact O-OG1 3.36Å; A164-V239 HydrophobicContact CB-CG1 4.34Å; A164-V239 HydrophobicContact CB-CG2 3.71Å
165V94.8Very high92.2Very high1 Ų157.7 Ų57.71%0.00630%0.301CS..Hα-helixtrans-65.3-52.1175.5-179.60000109.9G161 P162 E163 R167 T168 V169 E221 V239G161-V165 PolarHBondContact O-N 3.04Å; P162-V165 PolarHBondContact O-N 3.1Å; E163-V165 VanDerWaalsContact C-N 3.33Å; V165-R167 PolarHBondContact O-N 2.65Å; V165-T168 WeakPolarHBondContact O-CB 3.29Å; V165-T168 PolarHBondContact O-N 3.06Å; V165-T168 VanDerWaalsContact O-N 3.1Å; V165-V169 HydrophobicContact CG1-CG2 4.28Å; V165-V169 VanDerWaalsContact O-CG2 3.3Å; V165-V169 WeakPolarHBondContact O-CG2 3.34Å; V165-V169 PolarHBondContact O-N 2.92Å; V165-E221 HydrophobicContact CG1-CG 3.99Å; V165-V239 HydrophobicContact CG2-CG2 3.91Å
166R93.1Very high91.8Very high106 Ų10653.7 Ų53.740%0.429%0.288SS..Hα-helixtrans-56.4-48178.9-171.9179.7-64.31380.4112.2P162 E163 T168 V169 D170P162-R166 PolarHBondContact O-N 3.39Å; E163-R166 VanDerWaalsContact CD-NH1 3.3Å; E163-R166 PolarHBondContact O-N 2.91Å; E163-R166 IonicContact OE1-CZ 2.7Å; E163-R166 IonicContact OE1-NH1 3.59Å; E163-R166 PolarHBondContact OE1-NH1 2.82Å; E163-R166 IonicContact OE2-NH1 2.79Å; E163-R166 PolarHBondContact OE2-NH1 2.92Å; E163-R166 VanDerWaalsContact OE2-NH1 3.07Å; R166-T168 VanDerWaalsContact C-N 3.27Å; R166-T168 PolarHBondContact O-N 3.46Å; R166-V169 WeakPolarHBondContact O-CB 3.44Å; R166-V169 PolarHBondContact O-N 2.8Å; R166-V169 VanDerWaalsContact O-N 3.1Å; R166-D170 PolarHBondContact O-N 3.28Å
167R94.2Very high91.3Very high130 Ų13057.3 Ų57.349%0.49132%0.319SS..Hα-helixtrans-57.1-42.9177.2177.959.2-178.7134.10.2111.9L159 E163 V165 V169 D170 V171L159-R167 HydrophobicContact CD2-CB 3.79Å; L159-R167 HydrophobicContact CD2-CG 4.17Å; E163-R167 VanDerWaalsContact O-CB 3.3Å; E163-R167 WeakPolarHBondContact O-CB 3.36Å; E163-R167 PolarHBondContact O-N 2.83Å; V165-R167 PolarHBondContact O-N 2.65Å; R167-V169 VanDerWaalsContact C-N 3.34Å; R167-D170 PolarHBondContact O-N 2.79Å; R167-V171 WeakPolarHBondContact O-CG2 3.49Å; R167-V171 PolarHBondContact O-N 3.4Å; R167-V171 VanDerWaalsContact O-N 3.15Å
168T94.7Very high91.2Very high0 Ų054.1 Ų54.10%031%0.309CS..Hα-helixtrans-68.6-36.9179.6-560000111.4F152 N154 T156 A164 V165 R166 V171 T172 C251 V253F152-T168 HydrophobicContact CD1-CG2 4.12Å; N154-T168 HydrophobicContact CB-CG2 3.66Å; T156-T168 WeakPolarHBondContact CG2-OG1 3.37Å; A164-T168 WeakPolarHBondContact O-CB 3.38Å; A164-T168 PolarHBondContact O-N 3.32Å; A164-T168 VanDerWaalsContact O-N 3.13Å; A164-T168 PolarHBondContact O-OG1 3.36Å; V165-T168 WeakPolarHBondContact O-CB 3.29Å; V165-T168 PolarHBondContact O-N 3.06Å; V165-T168 VanDerWaalsContact O-N 3.1Å; R166-T168 VanDerWaalsContact C-N 3.27Å; R166-T168 PolarHBondContact O-N 3.46Å; T168-V171 PolarHBondContact O-N 2.71Å; T168-T172 WeakPolarHBondContact O-CB 3.48Å; T168-T172 PolarHBondContact O-N 3.23Å; T168-T172 PolarHBondContact O-OG1 2.84Å; T168-C251 HydrophobicContact CG2-CB 4.22Å; T168-C251 WeakPolarHBondContact OG1-CB 3.4Å; T168-C251 PolarHBondContact OG1-SG 2.94Å; T168-V253 HydrophobicContact CG2-CB 4.45Å; T168-V253 HydrophobicContact CG2-CG2 3.45Å; T168-V253 VanDerWaalsContact CG2-CG2 3.45Å
169V92.2Very high90.6Very high8 Ų858.7 Ų58.75%0.04832%0.317CS..Hα-helixtrans-63.1-45.1174.21680000111.5V165 R166 R167 V171 T172 L173 E221 L223 I235 V253V165-V169 HydrophobicContact CG1-CG2 4.28Å; V165-V169 VanDerWaalsContact O-CG2 3.3Å; V165-V169 WeakPolarHBondContact O-CG2 3.34Å; V165-V169 PolarHBondContact O-N 2.92Å; R166-V169 WeakPolarHBondContact O-CB 3.44Å; R166-V169 PolarHBondContact O-N 2.8Å; R166-V169 VanDerWaalsContact O-N 3.1Å; R167-V169 VanDerWaalsContact C-N 3.34Å; V169-V171 VanDerWaalsContact C-N 3.34Å; V169-V171 PolarHBondContact O-N 2.84Å; V169-T172 WeakPolarHBondContact O-CB 3.49Å; V169-T172 PolarHBondContact O-N 3Å; V169-T172 VanDerWaalsContact O-N 3.12Å; V169-L173 HydrophobicContact CG1-CD1 4.34Å; V169-L173 PolarHBondContact O-N 2.94Å; V169-E221 HydrophobicContact CG2-CB 4.31Å; V169-E221 HydrophobicContact CG2-CG 4.39Å; V169-L223 HydrophobicContact CG1-CD1 3.32Å; V169-I235 HydrophobicContact CB-CD1 4.34Å; V169-I235 HydrophobicContact CG1-CD1 3.89Å; V169-I235 HydrophobicContact CG2-CD1 3.45Å; V169-I235 VanDerWaalsContact CG2-CD1 3.45Å; V169-V253 HydrophobicContact CG2-CG1 4.24Å; V169-V253 HydrophobicContact CG2-CG2 4.07Å
170D91.1Very high90.1Very high75 Ų7562.2 Ų62.240%0.40133%0.332SS..Hα-helixtrans-61.4-42.2177.1-66.5-24.6000112.1R166 R167 T172 L173 T174R166-D170 PolarHBondContact O-N 3.28Å; R167-D170 PolarHBondContact O-N 2.79Å; D170-T172 VanDerWaalsContact C-N 3.34Å; D170-L173 PolarHBondContact O-N 2.81Å; D170-T174 PolarHBondContact O-N 3.45Å; D170-T174 PolarHBondContact O-OG1 3.19Å
171V91.9Very high89.8Confident25 Ų2559.9 Ų59.915%0.15232%0.316CS..Hα-helixtrans-63.1-44.1174.31770000110.1F152 R167 T168 V169 L173 T174 T175F152-V171 HydrophobicContact CD1-CG1 4.25Å; F152-V171 HydrophobicContact CE1-CB 4.21Å; F152-V171 HydrophobicContact CE1-CG1 3.48Å; F152-V171 VanDerWaalsContact CE1-CG1 3.48Å; F152-V171 HydrophobicContact CZ-CG1 3.88Å; R167-V171 WeakPolarHBondContact O-CG2 3.49Å; R167-V171 PolarHBondContact O-N 3.4Å; R167-V171 VanDerWaalsContact O-N 3.15Å; T168-V171 PolarHBondContact O-N 2.71Å; V169-V171 VanDerWaalsContact C-N 3.34Å; V169-V171 PolarHBondContact O-N 2.84Å; V171-L173 VanDerWaalsContact C-N 3.32Å; V171-L173 PolarHBondContact O-N 2.88Å; V171-T174 PolarHBondContact O-N 2.91Å; V171-T175 PolarHBondContact O-N 2.79Å; V171-T175 PolarHBondContact O-OG1 3.34Å
172T90.7Very high89.5Confident0 Ų065.8 Ų65.80%034%0.341CS..Hα-helixtrans-58.3-43.7178.2-55.60000111.5L151 F152 T168 V169 D170 T175 A176 L181 F226L151-T172 HydrophobicContact CB-CG2 3.94Å; L151-T172 HydrophobicContact CD1-CG2 4.28Å; F152-T172 HydrophobicContact CB-CG2 4.03Å; F152-T172 VanDerWaalsContact CB-OG1 3.3Å; F152-T172 WeakPolarHBondContact CB-OG1 3.48Å; T168-T172 WeakPolarHBondContact O-CB 3.48Å; T168-T172 PolarHBondContact O-N 3.23Å; T168-T172 PolarHBondContact O-OG1 2.84Å; V169-T172 WeakPolarHBondContact O-CB 3.49Å; V169-T172 PolarHBondContact O-N 3Å; V169-T172 VanDerWaalsContact O-N 3.12Å; D170-T172 VanDerWaalsContact C-N 3.34Å; T172-T175 PolarHBondContact O-N 3.22Å; T172-A176 WeakPolarHBondContact O-CB 3.38Å; T172-A176 PolarHBondContact O-N 2.87Å; T172-L181 HydrophobicContact CG2-CD1 4.43Å; T172-L181 HydrophobicContact CG2-CD2 3.82Å; T172-F226 HydrophobicContact CG2-CE2 4Å; T172-F226 HydrophobicContact CG2-CZ 4.5Å
173L86.9Confident89.3Confident63 Ų6365.5 Ų65.533%0.3334%0.339SS..Hα-helixtrans-62.9-44.3176.1-80.7168000112.4V169 D170 V171 A176 A177 L223V169-L173 HydrophobicContact CG1-CD1 4.34Å; V169-L173 PolarHBondContact O-N 2.94Å; D170-L173 PolarHBondContact O-N 2.81Å; V171-L173 VanDerWaalsContact C-N 3.32Å; V171-L173 PolarHBondContact O-N 2.88Å; L173-A176 PolarHBondContact O-N 2.94Å; L173-A177 PolarHBondContact O-N 2.82Å; L173-L223 HydrophobicContact CD1-CD1 3.98Å; L173-L223 HydrophobicContact CD1-CG 4.32Å; L173-L223 HydrophobicContact CD2-CD1 4.03Å; L173-L223 HydrophobicContact CD2-CD2 3.39Å; L173-L223 HydrophobicContact CD2-CG 3.68Å; L173-L223 HydrophobicContact CG-CD1 3.83Å; L173-L223 HydrophobicContact CG-CD2 4.03Å; L173-L223 HydrophobicContact CG-CG 4.07Å
174T88.3Confident89.2Confident94 Ų9461.6 Ų61.658%0.57732%0.321SS*.Hα-helixtrans-62.8-45.5179.3-53.80000110.8D170 V171 A176 A177 T178D170-T174 PolarHBondContact O-N 3.45Å; D170-T174 PolarHBondContact O-OG1 3.19Å; V171-T174 PolarHBondContact O-N 2.91Å; T174-A176 VanDerWaalsContact C-N 3.35Å; T174-A177 WeakPolarHBondContact O-CB 3.25Å; T174-A177 PolarHBondContact O-N 3.37Å; T174-T178 PolarHBondContact O-N 3.28Å
175T87.4Confident89Confident27 Ų2764.6 Ų64.617%0.16634%0.339CS..Hα-helixtrans-68.5-31.7177-51.70000112.6V171 T172 T178 K179 E180 L181V171-T175 PolarHBondContact O-N 2.79Å; V171-T175 PolarHBondContact O-OG1 3.34Å; T172-T175 PolarHBondContact O-N 3.22Å; T175-T178 PolarHBondContact O-N 2.84Å; T175-T178 PolarHBondContact O-OG1 2.91Å; T175-K179 PolarHBondContact O-N 3.42Å; T175-E180 HydrophobicContact CG2-CB 3.88Å; T175-E180 PolarHBondContact O-N 2.84Å; T175-L181 HydrophobicContact CG2-CB 4.12Å; T175-L181 HydrophobicContact CG2-CD1 4.06Å; T175-L181 PolarHBondContact O-N 3.42Å
176A84.4Confident89Confident29 Ų2964.5 Ų64.524%0.2434%0.339CS..Hα-helixtrans-65.1-41.2172.800000111.3T172 L173 T174 T178 K179 L181 F226T172-A176 WeakPolarHBondContact O-CB 3.38Å; T172-A176 PolarHBondContact O-N 2.87Å; L173-A176 PolarHBondContact O-N 2.94Å; T174-A176 VanDerWaalsContact C-N 3.35Å; A176-T178 VanDerWaalsContact C-N 3.3Å; A176-T178 PolarHBondContact O-N 3.01Å; A176-K179 PolarHBondContact O-N 3.48Å; A176-L181 HydrophobicContact CB-CB 4.4Å; A176-L181 HydrophobicContact CB-CD2 3.98Å; A176-F226 HydrophobicContact CB-CD2 4.37Å; A176-F226 HydrophobicContact CB-CE2 4.02Å
177A84Confident89Confident86 Ų8662.6 Ų62.671%0.71133%0.334SS*.Hα-helixtrans-63.9-32.9178.100000112.9L173 T174 K179L173-A177 PolarHBondContact O-N 2.82Å; T174-A177 WeakPolarHBondContact O-CB 3.25Å; T174-A177 PolarHBondContact O-N 3.37Å; A177-K179 PolarHBondContact O-N 2.93Å
178T86.4Confident89Confident79 Ų7956.4 Ų56.449%0.48531%0.311SS..THydrogen-bonded Turntrans-80.4-0.7174.760.40000113.8T174 T175 A176 E180T174-T178 PolarHBondContact O-N 3.28Å; T175-T178 PolarHBondContact O-N 2.84Å; T175-T178 PolarHBondContact O-OG1 2.91Å; A176-T178 VanDerWaalsContact C-N 3.3Å; A176-T178 PolarHBondContact O-N 3.01Å; T178-E180 PolarHBondContact O-N 2.87Å; T178-E180 PolarHBondContact OG1-OE2 3.34Å
179K80Confident88.9Confident191 Ų19160 Ų6083%0.8333%0.326SS*.THydrogen-bonded Turntrans58.221.7-174.3-58.9-174.6177.1-178.50114.5T175 A176 A177 L181T175-K179 PolarHBondContact O-N 3.42Å; A176-K179 PolarHBondContact O-N 3.48Å; A177-K179 PolarHBondContact O-N 2.93Å; K179-L181 VanDerWaalsContact C-N 3.33Å
180E83.1Confident88.9Confident145 Ų14559.9 Ų59.968%0.67833%0.325SS*.  trans-90.2-6.5175.9-66.9176.7143.100112.1T175 T178T175-E180 HydrophobicContact CG2-CB 3.88Å; T175-E180 PolarHBondContact O-N 2.84Å; T178-E180 PolarHBondContact O-N 2.87Å; T178-E180 PolarHBondContact OG1-OE2 3.34Å
181L85.7Confident88.7Confident24 Ų2456.7 Ų56.713%0.12631%0.309CS..  trans-82.2120.7178.2-161.374.5000110.6L151 F152 T172 T175 A176 K179 P183 F226L151-L181 WeakPolarHBondContact O-CD1 3.3Å; F152-L181 HydrophobicContact CB-CD1 4.15Å; F152-L181 HydrophobicContact CD2-CD1 4.03Å; F152-L181 HydrophobicContact CG-CD1 4.44Å; T172-L181 HydrophobicContact CG2-CD1 4.43Å; T172-L181 HydrophobicContact CG2-CD2 3.82Å; T175-L181 HydrophobicContact CG2-CB 4.12Å; T175-L181 HydrophobicContact CG2-CD1 4.06Å; T175-L181 PolarHBondContact O-N 3.42Å; A176-L181 HydrophobicContact CB-CB 4.4Å; A176-L181 HydrophobicContact CB-CD2 3.98Å; K179-L181 VanDerWaalsContact C-N 3.33Å; L181-P183 HydrophobicContact CD2-CG 4.45Å; L181-P183 VanDerWaalsContact O-CD 3.31Å; L181-P183 WeakPolarHBondContact O-CD 3.36Å; L181-F226 HydrophobicContact CD2-CE1 4.49Å; L181-F226 HydrophobicContact CD2-CE2 3.56Å; L181-F226 HydrophobicContact CD2-CZ 3.31Å
182E87.2Confident88.3Confident136 Ų13657.9 Ų57.964%0.63632%0.319SS*.  trans-110.992.9170.4-69.3-172.9162.100110.6K204E182-K204 WeakPolarHBondContact O-CE 3.46Å; E182-K204 PolarHBondContact O-NZ 2.96Å
183P89.7Confident88.2Confident59 Ų5964.2 Ų64.238%0.38335%0.348SS..  trans-64.7143.3172.6-19.131.8000111.3T149 Y150 L151 L181 F226T149-P183 HydrophobicContact CG2-CB 3.62Å; Y150-P183 VanDerWaalsContact O-CA 3.31Å; Y150-P183 WeakPolarHBondContact O-CA 3.41Å; L151-P183 HydrophobicContact CD2-CB 4.05Å; L151-P183 HydrophobicContact CD2-CG 4.34Å; L181-P183 HydrophobicContact CD2-CG 4.45Å; L181-P183 VanDerWaalsContact O-CD 3.31Å; L181-P183 WeakPolarHBondContact O-CD 3.36Å; P183-F226 HydrophobicContact CG-CE1 4.14Å; P183-F226 HydrophobicContact CG-CZ 4.3Å
184I91.5Very high88.4Confident16 Ų1661.2 Ų61.28%0.08233%0.332CS..EExtended strand (participates in β ladder)trans-131.6150.4178.260.5172.2000110.5T149 Y150 V186 D199 K203 K204 F205T149-I184 CarbonylContact C-O 3.59Å; Y150-I184 HydrophobicContact CD1-CD1 4.18Å; Y150-I184 HydrophobicContact CD1-CG1 3.91Å; Y150-I184 HydrophobicContact CG-CG1 4.34Å; Y150-I184 PolarHBondContact N-O 2.76Å; Y150-I184 PolarHBondContact O-N 3.36Å; I184-V186 HydrophobicContact CD1-CG1 3.92Å; I184-V186 HydrophobicContact CG1-CG1 3.89Å; I184-D199 HydrophobicContact CD1-CB 4.28Å; I184-D199 VanDerWaalsContact CD1-OD2 3.31Å; I184-D199 WeakPolarHBondContact CD1-OD2 3.5Å; I184-K203 HydrophobicContact CG2-CD 4.46Å; I184-K204 HydrophobicContact CD1-CB 3.89Å; I184-K204 HydrophobicContact CD1-CD 4.07Å; I184-K204 HydrophobicContact CD1-CG 4.03Å; I184-F205 HydrophobicContact CD1-CE1 4.34Å
185V92.1Very high88.7Confident62 Ų6256.8 Ų56.838%0.37631%0.305SS..EExtended strand (participates in β ladder)trans-79.9125.1172.4177.60000109N147 L257N147-V185 HydrophobicContact CB-CG1 4.13Å; V185-L257 HydrophobicContact CB-CD2 4.42Å; V185-L257 HydrophobicContact CG1-CD2 3.64Å; V185-L257 HydrophobicContact CG2-CD1 4.44Å; V185-L257 HydrophobicContact CG2-CD2 3.96Å
186V94.8Very high89Confident0 Ų055.9 Ų55.90%030%0.299CS..EExtended strand (participates in β ladder)trans-124.1146.8177.4-57.50000110.5N147 V148 Y150 I184 I197 T198 F205 F254N147-V186 WeakPolarHBondContact CA-O 3.37Å; V148-V186 HydrophobicContact CG2-CG2 3.63Å; V148-V186 PolarHBondContact N-O 3.22Å; V148-V186 PolarHBondContact O-N 2.95Å; Y150-V186 HydrophobicContact CG-CG1 4.29Å; I184-V186 HydrophobicContact CD1-CG1 3.92Å; I184-V186 HydrophobicContact CG1-CG1 3.89Å; V186-I197 HydrophobicContact CB-CG2 3.74Å; V186-I197 HydrophobicContact CG1-CG2 4.14Å; V186-I197 HydrophobicContact CG2-CG2 3.64Å; V186-T198 CarbonylContact C-O 3.53Å; V186-T198 VanDerWaalsContact CA-O 3.23Å; V186-T198 WeakPolarHBondContact CA-O 3.13Å; V186-T198 WeakPolarHBondContact CB-O 3.29Å; V186-F205 HydrophobicContact CG1-CZ 4.08Å; V186-F254 HydrophobicContact CG2-CD1 4.22Å; V186-F254 HydrophobicContact CG2-CE1 4.11Å
187H92.8Very high89.5Confident66 Ų6654.5 Ų54.531%0.30629%0.288SS..EExtended strand (participates in β ladder)trans-86112.3168.6-174.3-105.1000109.5A145 C146 T198 N200A145-H187 WeakPolarHBondContact CB-CE1 3.49Å; A145-H187 WeakPolarHBondContact CB-NE2 3.32Å; C146-H187 CarbonylContact O-C 3.44Å; C146-H187 WeakPolarHBondContact O-CA 3.38Å; H187-T198 PolarHBondContact N-O 2.97Å; H187-T198 PolarHBondContact O-N 3.3Å; H187-N200 WeakPolarHBondContact CB-OD1 3.37Å
188L94.4Very high90Very high0 Ų052.1 Ų52.10%027%0.265CS..EExtended strand (participates in β ladder)trans-98.6119.4177.8-177.276.6000109A145 C146 V148 I195 T196 I197 F236 F254 I266A145-L188 CarbonylContact C-O 3.57Å; A145-L188 VanDerWaalsContact CA-O 3.25Å; A145-L188 WeakPolarHBondContact CA-O 3.48Å; C146-L188 PolarHBondContact N-O 3.31Å; C146-L188 PolarHBondContact O-N 2.9Å; V148-L188 HydrophobicContact CG1-CD2 4.46Å; V148-L188 HydrophobicContact CG2-CB 3.8Å; V148-L188 HydrophobicContact CG2-CD2 4.3Å; L188-I195 HydrophobicContact CD1-CG2 3.56Å; L188-T196 WeakPolarHBondContact CA-O 3.36Å; L188-I197 HydrophobicContact CD1-CG1 3.88Å; L188-F236 HydrophobicContact CD2-CE2 3.98Å; L188-F236 HydrophobicContact CD2-CZ 3.87Å; L188-F254 HydrophobicContact CD1-CE1 4.48Å; L188-F254 HydrophobicContact CD1-CZ 4.45Å; L188-I266 HydrophobicContact CD2-CG2 3.78Å
189K92.4Very high90.3Very high76 Ų7648.5 Ų48.533%0.3324%0.242SC..EExtended strand (participates in β ladder)trans-116.1129.6175.2177.4-179.8177.1170.80110.2Q142 A144 A145 I195 T196Q142-K189 WeakPolarHBondContact O-CE 2.95Å; Q142-K189 PolarHBondContact O-NZ 2.73Å; A144-K189 CarbonylContact O-C 3.59Å; A144-K189 WeakPolarHBondContact O-CA 3.43Å; A145-K189 HydrophobicContact CB-CB 3.95Å; A145-K189 HydrophobicContact CB-CG 4.14Å; K189-I195 CarbonylContact O-C 3.33Å; K189-I195 WeakPolarHBondContact O-CA 3.21Å; K189-T196 PolarHBondContact N-O 3.01Å; K189-T196 PolarHBondContact O-N 3.44Å
190V92Very high90.3Very high4 Ų443.5 Ų43.52%0.02423%0.225CC..EExtended strand (participates in β ladder)trans-117.1126.6177.7-174.60000108.4G143 A144 I195 F269 I270 I274G143-V190 CarbonylContact C-O 3.51Å; G143-V190 WeakPolarHBondContact CA-O 3.22Å; A144-V190 PolarHBondContact N-O 2.78Å; A144-V190 PolarHBondContact O-N 3.41Å; V190-I195 HydrophobicContact CG1-CG1 4.47Å; V190-I195 HydrophobicContact CG2-CG1 4.32Å; V190-F269 HydrophobicContact CB-CD1 3.82Å; V190-F269 HydrophobicContact CB-CE1 3.81Å; V190-F269 HydrophobicContact CG1-CD1 3.72Å; V190-F269 HydrophobicContact CG1-CE1 3.81Å; V190-I270 HydrophobicContact CB-CG1 4.34Å; V190-I270 HydrophobicContact CG1-CG1 3.78Å; V190-I270 HydrophobicContact CG2-CD1 4.08Å; V190-I270 HydrophobicContact CG2-CG1 3.61Å; V190-I274 HydrophobicContact CG1-CD1 3.83Å; V190-I274 HydrophobicContact CG1-CG1 4.39Å
191S87.6Confident90.4Very high9 Ų939.5 Ų39.56%0.06322%0.217CC..EExtended strand (participates in β ladder)trans-147.3176.2-177.363.60000111.4Q193 G194S191-Q193 PolarHBondContact O-N 3.16Å; S191-Q193 VanDerWaalsContact O-N 3.09Å; S191-Q193 PolarHBondContact OG-N 2.92Å; S191-G194 PolarHBondContact N-O 2.9Å; S191-G194 PolarHBondContact O-N 3.42Å; S191-G194 PolarHBondContact OG-O 2.78Å
192S83.4Confident90.4Very high50 Ų5046.9 Ų46.935%0.3524%0.243SC..THydrogen-bonded Turntrans-56.4-19.9169.961.30000114.3L140 V212L140-S192 PolarHBondContact O-N 3.47Å; L140-S192 VanDerWaalsContact O-N 3.15Å; S192-V212 VanDerWaalsContact O-CG2 3.3Å; S192-V212 WeakPolarHBondContact O-CG2 3.45Å
193Q87.4Confident90.3Very high133 Ų13348.1 Ų48.162%0.62125%0.246SC*.THydrogen-bonded Turntrans-87.3-13.8176.2-58.1-56.4-48.700113.4S191 H209 P211 V212S191-Q193 PolarHBondContact O-N 3.16Å; S191-Q193 VanDerWaalsContact O-N 3.09Å; S191-Q193 PolarHBondContact OG-N 2.92Å; Q193-H209 PolarHBondContact O-NE2 2.97Å; Q193-P211 WeakPolarHBondContact O-CA 3.37Å; Q193-V212 PolarHBondContact O-N 3.49Å
194G91.6Very high90.1Very high0 Ų049.6 Ų49.60%025%0.247CC..EExtended strand (participates in β ladder)trans124.3-155-179.400000112.7S191 Y210S191-G194 PolarHBondContact N-O 2.9Å; S191-G194 PolarHBondContact O-N 3.42Å; S191-G194 PolarHBondContact OG-O 2.78Å; G194-Y210 CarbonylContact C-O 3.56Å; G194-Y210 WeakPolarHBondContact CA-O 3.3Å
195I94.8Very high90Very high0 Ų050 Ų500%025%0.248CC..EExtended strand (participates in β ladder)trans-105.3132.5-176.8-64.4174.8000110L188 K189 V190 I197 H209 Y210 I215 F238 I270 I274L188-I195 HydrophobicContact CD1-CG2 3.56Å; K189-I195 CarbonylContact O-C 3.33Å; K189-I195 WeakPolarHBondContact O-CA 3.21Å; V190-I195 HydrophobicContact CG1-CG1 4.47Å; V190-I195 HydrophobicContact CG2-CG1 4.32Å; I195-I197 HydrophobicContact CG2-CG1 4.25Å; I195-H209 CarbonylContact O-C 3.53Å; I195-H209 WeakPolarHBondContact O-CA 3.47Å; I195-H209 PolarHBondContact O-ND1 2.87Å; I195-Y210 PolarHBondContact N-O 2.88Å; I195-Y210 PolarHBondContact O-N 3.41Å; I195-I215 HydrophobicContact CB-CD1 3.93Å; I195-I215 HydrophobicContact CD1-CD1 3.67Å; I195-I215 HydrophobicContact CD1-CG1 4.45Å; I195-I215 HydrophobicContact CD1-CG2 4.45Å; I195-I215 HydrophobicContact CG1-CD1 3.55Å; I195-F238 HydrophobicContact CD1-CD1 4.1Å; I195-F238 HydrophobicContact CD1-CD2 4.3Å; I195-F238 HydrophobicContact CD1-CE1 4.27Å; I195-F238 HydrophobicContact CD1-CE2 4.48Å; I195-F238 HydrophobicContact CD1-CG 4.11Å; I195-F238 HydrophobicContact CD1-CZ 4.47Å; I195-F238 HydrophobicContact CG2-CE1 4Å; I195-F238 HydrophobicContact CG2-CZ 4.07Å; I195-I270 HydrophobicContact CD1-CD1 3.91Å; I195-I270 HydrophobicContact CD1-CG1 4.16Å; I195-I270 HydrophobicContact CD1-CG2 4.12Å; I195-I274 HydrophobicContact CD1-CD1 4.12Å; I195-I274 HydrophobicContact CG1-CD1 3.63Å
196T94Very high89.9Confident8 Ų853 Ų535%0.04926%0.256CS..EExtended strand (participates in β ladder)trans-119.8129.1172.4-52.90000109.4L188 K189 R207 R208 H209L188-T196 WeakPolarHBondContact CA-O 3.36Å; K189-T196 PolarHBondContact N-O 3.01Å; K189-T196 PolarHBondContact O-N 3.44Å; T196-R207 HydrophobicContact CG2-CG 3.83Å; T196-R208 CarbonylContact C-O 3.53Å; T196-R208 WeakPolarHBondContact CA-O 3.46Å; T196-H209 PolarHBondContact OG1-ND1 3.21Å
197I95.3Very high89.7Confident0 Ų060.1 Ų60.10%028%0.283CS..EExtended strand (participates in β ladder)trans-113.7125174.8-46.3165.2000107.6V186 L188 I195 F205 R207 R208 Y210 F238 F254V186-I197 HydrophobicContact CB-CG2 3.74Å; V186-I197 HydrophobicContact CG1-CG2 4.14Å; V186-I197 HydrophobicContact CG2-CG2 3.64Å; L188-I197 HydrophobicContact CD1-CG1 3.88Å; I195-I197 HydrophobicContact CG2-CG1 4.25Å; I197-F205 HydrophobicContact CB-CE2 4.27Å; I197-F205 HydrophobicContact CG2-CE2 3.86Å; I197-F205 HydrophobicContact CG2-CZ 3.79Å; I197-R207 CarbonylContact O-C 3.57Å; I197-R207 WeakPolarHBondContact O-CA 3.38Å; I197-R208 PolarHBondContact N-O 2.76Å; I197-R208 PolarHBondContact O-N 2.7Å; I197-Y210 HydrophobicContact CD1-CD2 4.43Å; I197-Y210 HydrophobicContact CD1-CE2 3.91Å; I197-F238 HydrophobicContact CD1-CE1 4.03Å; I197-F238 HydrophobicContact CD1-CZ 3.95Å; I197-F254 HydrophobicContact CD1-CE1 4.13Å; I197-F254 HydrophobicContact CD1-CZ 3.64Å; I197-F254 HydrophobicContact CG1-CE1 4.47Å; I197-F254 HydrophobicContact CG1-CZ 4.26Å; I197-F254 HydrophobicContact CG2-CE1 4.28Å
198T92.9Very high89.8Confident36 Ų3661.3 Ų61.322%0.22129%0.285CS..EExtended strand (participates in β ladder)trans-121.8125.4177.8-48.40000108.8V186 H187 N200 F206V186-T198 CarbonylContact C-O 3.53Å; V186-T198 VanDerWaalsContact CA-O 3.23Å; V186-T198 WeakPolarHBondContact CA-O 3.13Å; V186-T198 WeakPolarHBondContact CB-O 3.29Å; H187-T198 PolarHBondContact N-O 2.97Å; H187-T198 PolarHBondContact O-N 3.3Å; T198-N200 PolarHBondContact O-N 3.11Å; T198-F206 WeakPolarHBondContact CG2-O 3.28Å
199D93Very high89.7Confident3 Ų365.2 Ų65.22%0.01630%0.303CS..EExtended strand (participates in β ladder)trans-80.4114.6173.4177.7-14.1000108.4I184 A201 R202 K203 K204 F205 F206I184-D199 HydrophobicContact CD1-CB 4.28Å; I184-D199 VanDerWaalsContact CD1-OD2 3.31Å; I184-D199 WeakPolarHBondContact CD1-OD2 3.5Å; D199-A201 PolarHBondContact O-N 3.28Å; D199-A201 WeakPolarHBondContact OD1-CA 3.35Å; D199-A201 PolarHBondContact OD1-N 3.28Å; D199-R202 VanDerWaalsContact CG-N 3.32Å; D199-R202 PolarHBondContact O-N 2.92Å; D199-R202 PolarHBondContact OD1-N 3.13Å; D199-K203 WeakPolarHBondContact OD2-CA 3.23Å; D199-K203 PolarHBondContact OD2-N 3.46Å; D199-K204 PolarHBondContact OD2-N 3.42Å; D199-F205 HydrophobicContact CB-CD2 4.07Å; D199-F205 HydrophobicContact CB-CE2 4.01Å; D199-F205 HydrophobicContact CB-CZ 4.46Å; D199-F205 WeakPolarHBondContact CB-O 3.41Å; D199-F206 PolarHBondContact N-O 2.82Å
200N79.7Confident89.8Confident86 Ų8662.9 Ų62.946%0.4629%0.292SS..THydrogen-bonded Turntrans-65.1-30-175.4-67.6-14.9000111.9N147 H187 T198N147-N200 PolarHBondContact OD1-ND2 2.93Å; N147-N200 VanDerWaalsContact OD1-ND2 3.11Å; H187-N200 WeakPolarHBondContact CB-OD1 3.37Å; T198-N200 PolarHBondContact O-N 3.11Å
201A86.9Confident89.8Confident62 Ų6265.3 Ų65.351%0.51231%0.308SS..THydrogen-bonded Turntrans-97.1-5.7-179.800000113.2D199 K203D199-A201 PolarHBondContact O-N 3.28Å; D199-A201 WeakPolarHBondContact OD1-CA 3.35Å; D199-A201 PolarHBondContact OD1-N 3.28Å; A201-K203 HydrophobicContact CB-CD 4.15Å; A201-K203 HydrophobicContact CB-CG 3.86Å; A201-K203 PolarHBondContact O-N 3.48Å
202R84.1Confident90Very high178 Ų17866.8 Ų66.867%0.67232%0.317SS*.  trans53.937.8-178-51.3-178.7-177.6-177.9-0.1113.1D199 F206D199-R202 VanDerWaalsContact CG-N 3.32Å; D199-R202 PolarHBondContact O-N 2.92Å; D199-R202 PolarHBondContact OD1-N 3.13Å; R202-F206 HydrophobicContact CG-CD2 4.08Å
203K85.2Confident90.3Very high163 Ų16368.6 Ų68.671%0.70933%0.327SS*.SBendtrans-83-48.9-177.6-71.9-176.2177.1-1740112.7I184 D199 A201I184-K203 HydrophobicContact CG2-CD 4.46Å; D199-K203 WeakPolarHBondContact OD2-CA 3.23Å; D199-K203 PolarHBondContact OD2-N 3.46Å; A201-K203 HydrophobicContact CB-CD 4.15Å; A201-K203 HydrophobicContact CB-CG 3.86Å; A201-K203 PolarHBondContact O-N 3.48Å
204K86Confident90.6Very high90 Ų9062.7 Ų62.739%0.39130%0.3SS..SBendtrans-102.4-33.6-175.6-71.7-168.5170.1177.50113.3Y150 E182 I184 D199Y150-K204 HydrophobicContact CE1-CD 4.38Å; E182-K204 WeakPolarHBondContact O-CE 3.46Å; E182-K204 PolarHBondContact O-NZ 2.96Å; I184-K204 HydrophobicContact CD1-CB 3.89Å; I184-K204 HydrophobicContact CD1-CD 4.07Å; I184-K204 HydrophobicContact CD1-CG 4.03Å; D199-K204 PolarHBondContact OD2-N 3.42Å
205F90.5Very high90.7Very high23 Ų2363.1 Ų63.110%0.10130%0.302CS..  trans-157.1170.1176.550.1-93.2000108.7Y150 I184 V186 I197 D199 R208Y150-F205 HydrophobicContact CD1-CE1 4.42Å; Y150-F205 HydrophobicContact CD2-CZ 4.46Å; Y150-F205 HydrophobicContact CE1-CE1 4.08Å; Y150-F205 HydrophobicContact CE2-CE1 4.17Å; Y150-F205 HydrophobicContact CE2-CZ 4.39Å; Y150-F205 AromaticContact CZ-CE1 3.91Å; I184-F205 HydrophobicContact CD1-CE1 4.34Å; V186-F205 HydrophobicContact CG1-CZ 4.08Å; I197-F205 HydrophobicContact CB-CE2 4.27Å; I197-F205 HydrophobicContact CG2-CE2 3.86Å; I197-F205 HydrophobicContact CG2-CZ 3.79Å; D199-F205 HydrophobicContact CB-CD2 4.07Å; D199-F205 HydrophobicContact CB-CE2 4.01Å; D199-F205 HydrophobicContact CB-CZ 4.46Å; D199-F205 WeakPolarHBondContact CB-O 3.41Å; F205-R208 HydrophobicContact CD2-CG 4.08Å; F205-R208 HydrophobicContact CE2-CG 4.5Å; F205-R208 HydrophobicContact CG-CG 4.35Å
206F88.6Confident90.6Very high125 Ų12565.2 Ų65.255%0.54832%0.315SS..SBendtrans-89.1-58.6173.4175.1-116.3000110.9T198 D199 R202T198-F206 WeakPolarHBondContact CG2-O 3.28Å; D199-F206 PolarHBondContact N-O 2.82Å; R202-F206 HydrophobicContact CG-CD2 4.08Å
207R91.8Very high90.6Very high150 Ų15066.8 Ų66.857%0.56632%0.322SS*.EExtended strand (participates in β ladder)trans-156.9140.3-177.8-177.8178.9172.6-160.6-2.1109.6T196 I197T196-R207 HydrophobicContact CG2-CG 3.83Å; I197-R207 CarbonylContact O-C 3.57Å; I197-R207 WeakPolarHBondContact O-CA 3.38Å
208R93.8Very high90.6Very high91 Ų9167.2 Ų67.234%0.34332%0.324SS..EExtended strand (participates in β ladder)trans-127.4137.1171.7-64.2-178.2179.6171.6-1.4109.2T196 I197 F205 Y210T196-R208 CarbonylContact C-O 3.53Å; T196-R208 WeakPolarHBondContact CA-O 3.46Å; I197-R208 PolarHBondContact N-O 2.76Å; I197-R208 PolarHBondContact O-N 2.7Å; F205-R208 HydrophobicContact CD2-CG 4.08Å; F205-R208 HydrophobicContact CE2-CG 4.5Å; F205-R208 HydrophobicContact CG-CG 4.35Å; R208-Y210 HydrophobicContact CB-CE2 3.77Å
209H93.6Very high90.6Very high82 Ų8266.5 Ų66.538%0.3832%0.321SS..EExtended strand (participates in β ladder)trans-126.9130.9177.9-179.663.9000109.9Q193 I195 T196Q193-H209 PolarHBondContact O-NE2 2.97Å; I195-H209 CarbonylContact O-C 3.53Å; I195-H209 WeakPolarHBondContact O-CA 3.47Å; I195-H209 PolarHBondContact O-ND1 2.87Å; T196-H209 PolarHBondContact OG1-ND1 3.21Å
210Y94.5Very high90.5Very high28 Ų2869.3 Ų69.311%0.1134%0.336CS..EExtended strand (participates in β ladder)trans-117.9105.3-179.7-61.9-85.8000108G194 I195 I197 R208 I215 F238 A240 V250 H252G194-Y210 CarbonylContact C-O 3.56Å; G194-Y210 WeakPolarHBondContact CA-O 3.3Å; I195-Y210 PolarHBondContact N-O 2.88Å; I195-Y210 PolarHBondContact O-N 3.41Å; I197-Y210 HydrophobicContact CD1-CD2 4.43Å; I197-Y210 HydrophobicContact CD1-CE2 3.91Å; R208-Y210 HydrophobicContact CB-CE2 3.77Å; Y210-I215 WeakPolarHBondContact O-CD1 3.5Å; Y210-F238 HydrophobicContact CD2-CE2 4.09Å; Y210-F238 AromaticContact CD2-CZ 3.82Å; Y210-F238 HydrophobicContact CD2-CZ 3.82Å; Y210-F238 HydrophobicContact CE2-CZ 4.14Å; Y210-F238 HydrophobicContact CG-CE2 4.09Å; Y210-F238 HydrophobicContact CG-CZ 4.29Å; Y210-A240 HydrophobicContact CD1-CB 3.59Å; Y210-A240 HydrophobicContact CE1-CB 4.25Å; Y210-A240 HydrophobicContact CG-CB 4.17Å; Y210-V250 HydrophobicContact CE1-CG1 4.06Å; Y210-H252 AromaticContact CE1-NE2 3.57Å; Y210-H252 AromaticContact CE2-NE2 3.82Å; Y210-H252 AromaticContact CZ-CE1 3.7Å; Y210-H252 AromaticContact CZ-NE2 3.16Å; Y210-H252 PolarHBondContact OH-CE1 3.45Å; Y210-H252 PolarHBondContact OH-NE2 2.72Å
211P91.5Very high90.8Very high54 Ų5467.7 Ų67.735%0.35133%0.325SS..EExtended strand (participates in β ladder)trans-61.7150178.8-24.334.8000112.1Q193 P213 T214Q193-P211 WeakPolarHBondContact O-CA 3.37Å; P211-P213 VanDerWaalsContact C-N 3.34Å; P211-P213 VanDerWaalsContact O-N 3.14Å; P211-T214 HydrophobicContact CB-CG2 4.44Å; P211-T214 WeakPolarHBondContact O-CB 3.43Å; P211-T214 PolarHBondContact O-N 2.68Å; P211-T214 PolarHBondContact O-OG1 3.39Å
212V91.3Very high90.1Very high41 Ų4174.3 Ų74.325%0.24834%0.337CS..G310 helixtrans-43.6-48.8179.6171.70000113.9S192 Q193 T214 I215 I274S192-V212 VanDerWaalsContact O-CG2 3.3Å; S192-V212 WeakPolarHBondContact O-CG2 3.45Å; Q193-V212 PolarHBondContact O-N 3.49Å; V212-T214 PolarHBondContact O-N 2.97Å; V212-I215 PolarHBondContact O-N 2.85Å; V212-I215 VanDerWaalsContact O-N 3.1Å; V212-I274 HydrophobicContact CB-CG2 4.42Å; V212-I274 HydrophobicContact CG1-CG2 3.98Å; V212-I274 HydrophobicContact CG2-CG1 4.24Å; V212-I274 HydrophobicContact CG2-CG2 4.39Å
213P90.5Very high89.3Confident88 Ų8866 Ų6657%0.57131%0.306SS*.G310 helixtrans-63.8-18.8-176.9-21.833.9000114.8P211 R241P211-P213 VanDerWaalsContact C-N 3.34Å; P211-P213 VanDerWaalsContact O-N 3.14Å; P213-R241 PolarHBondContact O-NH2 2.99Å
214T92.2Very high87.9Confident9 Ų964.4 Ų64.46%0.05531%0.305CS..G310 helixtrans-84.8-26.6179.7690000112.1P211 V212 T216 A240 R241 V244P211-T214 HydrophobicContact CB-CG2 4.44Å; P211-T214 WeakPolarHBondContact O-CB 3.43Å; P211-T214 PolarHBondContact O-N 2.68Å; P211-T214 PolarHBondContact O-OG1 3.39Å; V212-T214 PolarHBondContact O-N 2.97Å; T214-T216 PolarHBondContact O-N 3.48Å; T214-A240 CarbonylContact O-C 3.56Å; T214-A240 VanDerWaalsContact O-CA 3.22Å; T214-A240 WeakPolarHBondContact O-CA 3.48Å; T214-R241 PolarHBondContact O-N 3.34Å; T214-V244 HydrophobicContact CG2-CG2 4.12Å
215I93.6Very high86.3Confident9 Ų966.7 Ų66.75%0.04632%0.321CS..EExtended strand (participates in β ladder)trans-82.3115.9-175.3-59161.1000108.3I195 Y210 V212 F238 A240 I274 L275I195-I215 HydrophobicContact CB-CD1 3.93Å; I195-I215 HydrophobicContact CD1-CD1 3.67Å; I195-I215 HydrophobicContact CD1-CG1 4.45Å; I195-I215 HydrophobicContact CD1-CG2 4.45Å; I195-I215 HydrophobicContact CG1-CD1 3.55Å; Y210-I215 WeakPolarHBondContact O-CD1 3.5Å; V212-I215 PolarHBondContact O-N 2.85Å; V212-I215 VanDerWaalsContact O-N 3.1Å; I215-F238 HydrophobicContact CG2-CD2 4.41Å; I215-A240 HydrophobicContact CG1-CB 4.32Å; I215-I274 HydrophobicContact CB-CG2 3.84Å; I215-I274 HydrophobicContact CD1-CD1 3.72Å; I215-I274 HydrophobicContact CD1-CG2 3.95Å; I215-I274 HydrophobicContact CG2-CG2 3.97Å; I215-L275 HydrophobicContact CG2-CD2 4.29Å
216T93Very high84.6Confident43 Ų4367.3 Ų67.326%0.26432%0.324SS..EExtended strand (participates in β ladder)trans-107.9-23.9-171.353.90000113T214 V239 R241T214-T216 PolarHBondContact O-N 3.48Å; T216-V239 PolarHBondContact N-O 2.93Å; T216-V239 PolarHBondContact OG1-O 3.08Å; T216-R241 HydrophobicContact CG2-CG 4.28Å
217H94.5Very high82.6Confident42 Ų4266.3 Ų66.319%0.19432%0.324CS..EExtended strand (participates in β ladder)trans-156.2150.4-178.1-166.167.9000111.7G161 S219 F238 V239G161-H217 PolarHBondContact O-CD2 2.96Å; H217-S219 PolarHBondContact NE2-OG 2.77Å; H217-F238 CarbonylContact O-C 3.52Å; H217-F238 WeakPolarHBondContact O-CA 3.37Å; H217-F238 WeakPolarHBondContact O-CB 3.28Å; H217-V239 HydrophobicContact CB-CB 4.1Å; H217-V239 HydrophobicContact CB-CG2 4.08Å; H217-V239 PolarHBondContact N-O 3.1Å; H217-V239 PolarHBondContact O-N 2.98Å
218C94.9Very high80.4Confident8 Ų865.7 Ų65.75%0.05434%0.343CS..EExtended strand (participates in β ladder)trans-150.3131.1169.1-172.90000108.8G237 F238 I270 L275C218-G237 VanDerWaalsContact CA-O 3.27Å; C218-G237 WeakPolarHBondContact CA-O 3.4Å; C218-G237 PolarHBondContact SG-O 2.77Å; C218-G237 VanDerWaalsContact SG-O 3.36Å; C218-F238 HydrophobicContact CB-CB 3.94Å; C218-I270 HydrophobicContact CB-CG2 3.76Å; C218-L275 HydrophobicContact CB-CD1 3.83Å
219S93Very high77.8Confident21 Ų2165.4 Ų65.415%0.14737%0.368CS..EExtended strand (participates in β ladder)trans-149.3159.1-177.2610000112.1H217 F236 G237H217-S219 PolarHBondContact NE2-OG 2.77Å; S219-F236 VanDerWaalsContact O-CA 3.3Å; S219-F236 WeakPolarHBondContact O-CA 3.37Å; S219-F236 WeakPolarHBondContact O-CB 3.47Å; S219-G237 PolarHBondContact N-O 3.26Å; S219-G237 PolarHBondContact O-N 3.2Å
220L91.1Very high75.6Confident63 Ų6365.5 Ų65.533%0.3338%0.378SS..EExtended strand (participates in β ladder)trans-84146.2169.9-67.3161.2000109.6M234 F236 A263 V267L220-M234 HydrophobicContact CB-CE 4.31Å; L220-M234 HydrophobicContact CD1-CE 4.48Å; L220-M234 HydrophobicContact CD2-CE 4.1Å; L220-F236 HydrophobicContact CD2-CB 4.13Å; L220-A263 HydrophobicContact CD2-CB 3.68Å; L220-V267 HydrophobicContact CD2-CB 4.37Å; L220-V267 HydrophobicContact CD2-CG2 3.81Å; L220-V267 HydrophobicContact CG-CB 4.2Å; L220-V267 HydrophobicContact CG-CG1 4.4Å; L220-V267 HydrophobicContact CG-CG2 3.95Å
221E85.5Confident73.2Confident51 Ų5171.8 Ų71.824%0.23841%0.41CS..EExtended strand (participates in β ladder)trans-133.6160.6165.9-89.5-65177.300109.7V165 V169 I235V165-E221 HydrophobicContact CG1-CG 3.99Å; V169-E221 HydrophobicContact CG2-CB 4.31Å; V169-E221 HydrophobicContact CG2-CG 4.39Å; E221-I235 VanDerWaalsContact C-CG1 3.5Å; E221-I235 HydrophobicContact CB-CD1 3.61Å; E221-I235 HydrophobicContact CB-CG1 3.72Å; E221-I235 PolarHBondContact N-O 3.49Å; E221-I235 WeakPolarHBondContact O-CG1 3.44Å; E221-I235 PolarHBondContact O-N 3.02Å
222R72.9Confident71.6Confident202 Ų20273 Ų7376%0.76242%0.418SS*.EExtended strand (participates in β ladder)trans-108.3118.8174.6-77.1-175.5173.6-177.80.1109.3M234R222-M234 HydrophobicContact CG-CE 4.39Å; R222-M234 HydrophobicContact CG-SD 3.83Å
223L67.9Low70.4Confident2 Ų272.8 Ų72.81%0.0142%0.42CS..  trans-95.2112.3170.2-137.792.2000110.5V169 L173 F226 I235V169-L223 HydrophobicContact CG1-CD1 3.32Å; L173-L223 HydrophobicContact CD1-CD1 3.98Å; L173-L223 HydrophobicContact CD1-CG 4.32Å; L173-L223 HydrophobicContact CD2-CD1 4.03Å; L173-L223 HydrophobicContact CD2-CD2 3.39Å; L173-L223 HydrophobicContact CD2-CG 3.68Å; L173-L223 HydrophobicContact CG-CD1 3.83Å; L173-L223 HydrophobicContact CG-CD2 4.03Å; L173-L223 HydrophobicContact CG-CG 4.07Å; L223-F226 HydrophobicContact CD2-CB 3.55Å; L223-F226 HydrophobicContact CD2-CD2 3.06Å; L223-F226 HydrophobicContact CD2-CE2 3.92Å; L223-F226 HydrophobicContact CD2-CG 3.61Å; L223-I235 HydrophobicContact CB-CD1 4.12Å; L223-I235 HydrophobicContact CB-CG1 4.17Å; L223-I235 HydrophobicContact CB-CG2 4.06Å; L223-I235 HydrophobicContact CD1-CD1 3.42Å; L223-I235 VanDerWaalsContact CD1-CD1 3.42Å; L223-I235 HydrophobicContact CD1-CG1 4.36Å; L223-I235 HydrophobicContact CG-CD1 4.39Å
224L55Low70Confident131 Ų13171.3 Ų71.369%0.68641%0.407SS*.SBendtrans-79.1126.2167.1-67168.3000108.1
225N53.8Low69.9Low137 Ų13771 Ų7173%0.73340%0.404SS*.  trans70.239.9168.5-53-25.2000117.7N227N225-N227 PolarHBondContact O-N 2.8Å
226F53.8Low70Confident37 Ų3770.6 Ų70.616%0.16240%0.402CS..SBendtrans-63-24.8175-160.7-120000114L151 T172 A176 L181 P183 L223L151-F226 HydrophobicContact CB-CZ 4.34Å; L151-F226 HydrophobicContact CD1-CE1 4.14Å; L151-F226 HydrophobicContact CD1-CE2 4.08Å; L151-F226 HydrophobicContact CD1-CZ 3.71Å; L151-F226 HydrophobicContact CD2-CE1 3.58Å; L151-F226 HydrophobicContact CD2-CZ 3.59Å; L151-F226 HydrophobicContact CG-CE1 4.44Å; L151-F226 HydrophobicContact CG-CZ 4.08Å; T172-F226 HydrophobicContact CG2-CE2 4Å; T172-F226 HydrophobicContact CG2-CZ 4.5Å; A176-F226 HydrophobicContact CB-CD2 4.37Å; A176-F226 HydrophobicContact CB-CE2 4.02Å; L181-F226 HydrophobicContact CD2-CE1 4.49Å; L181-F226 HydrophobicContact CD2-CE2 3.56Å; L181-F226 HydrophobicContact CD2-CZ 3.31Å; P183-F226 HydrophobicContact CG-CE1 4.14Å; P183-F226 HydrophobicContact CG-CZ 4.3Å; L223-F226 HydrophobicContact CD2-CB 3.55Å; L223-F226 HydrophobicContact CD2-CD2 3.06Å; L223-F226 HydrophobicContact CD2-CE2 3.92Å; L223-F226 HydrophobicContact CD2-CG 3.61Å
227N46.1Very low70.1Confident104 Ų10468.5 Ų68.556%0.55639%0.39SS*.SBendtrans-133128.7169.8-79.7-40.5000108.2N225 G229 S230N225-N227 PolarHBondContact O-N 2.8Å; N227-G229 PolarHBondContact O-N 2.86Å; N227-S230 PolarHBondContact O-N 2.95Å
228S45.2Very low70.2Confident136 Ų13666.5 Ų66.595%0.95138%0.381SS*.THydrogen-bonded Turntrans-5877.4168.751.10000111
229G40.9Very low70.2Confident85 Ų8566.1 Ų66.188%0.87638%0.378SS*.THydrogen-bonded Turntrans134-2.6173.500000117.9N227N227-G229 PolarHBondContact O-N 2.86Å
230S46.2Very low70.3Confident84 Ų8465.1 Ų65.159%0.58737%0.371SS*.SBendtrans-121.5145.5176.8-170.70000111.6N227N227-S230 PolarHBondContact O-N 2.95Å
231M45.4Very low70.4Confident160 Ų16067 Ų6779%0.78837%0.374SS*.  trans-44.1147.4-175-72.9-70.3-70.400112.9A233M231-A233 PolarHBondContact O-N 3.25Å
232P56.6Low70.4Confident80 Ų8069.6 Ų69.652%0.51938%0.384SS..  trans-56.3112.6177.522.8-32.2000110
233A66.2Low70.5Confident36 Ų3662.6 Ų62.630%0.29837%0.366SS..  trans-76.1130.2172.700000108.6M231 I235 A255M231-A233 PolarHBondContact O-N 3.25Å; A233-I235 PolarHBondContact O-N 3.21Å; A233-A255 HydrophobicContact CB-CB 4.39Å
234M82.8Confident70.6Confident58 Ų5867.9 Ų67.929%0.28640%0.398SS..EExtended strand (participates in β ladder)trans-65.2126.4170.5-74.2-67.6-61.700108.3L220 R222 E256 A263L220-M234 HydrophobicContact CB-CE 4.31Å; L220-M234 HydrophobicContact CD1-CE 4.48Å; L220-M234 HydrophobicContact CD2-CE 4.1Å; R222-M234 HydrophobicContact CG-CE 4.39Å; R222-M234 HydrophobicContact CG-SD 3.83Å; M234-E256 PolarHBondContact O-N 3.43Å; M234-E256 VanDerWaalsContact O-N 3.12Å; M234-A263 HydrophobicContact CB-CB 3.91Å
235I90.5Very high71.1Confident1 Ų166.2 Ų66.21%0.00540%0.403CS..EExtended strand (participates in β ladder)trans-106.415717658.8156.1000109.6L151 V169 E221 L223 A233 V253 F254 A255L151-I235 HydrophobicContact CD1-CG2 3.98Å; V169-I235 HydrophobicContact CB-CD1 4.34Å; V169-I235 HydrophobicContact CG1-CD1 3.89Å; V169-I235 HydrophobicContact CG2-CD1 3.45Å; V169-I235 VanDerWaalsContact CG2-CD1 3.45Å; E221-I235 VanDerWaalsContact C-CG1 3.5Å; E221-I235 HydrophobicContact CB-CD1 3.61Å; E221-I235 HydrophobicContact CB-CG1 3.72Å; E221-I235 PolarHBondContact N-O 3.49Å; E221-I235 WeakPolarHBondContact O-CG1 3.44Å; E221-I235 PolarHBondContact O-N 3.02Å; L223-I235 HydrophobicContact CB-CD1 4.12Å; L223-I235 HydrophobicContact CB-CG1 4.17Å; L223-I235 HydrophobicContact CB-CG2 4.06Å; L223-I235 HydrophobicContact CD1-CD1 3.42Å; L223-I235 VanDerWaalsContact CD1-CD1 3.42Å; L223-I235 HydrophobicContact CD1-CG1 4.36Å; L223-I235 HydrophobicContact CG-CD1 4.39Å; A233-I235 PolarHBondContact O-N 3.21Å; I235-V253 HydrophobicContact CB-CG1 4.46Å; I235-V253 HydrophobicContact CD1-CG1 4.18Å; I235-F254 CarbonylContact C-O 3.24Å; I235-F254 WeakPolarHBondContact CA-O 3.21Å; I235-F254 VanDerWaalsContact CB-O 3.29Å; I235-F254 WeakPolarHBondContact CB-O 3.3Å; I235-A255 HydrophobicContact CG2-CB 4.04Å
236F93.9Very high71.9Confident1 Ų165.6 Ų65.60%0.00439%0.394CS..EExtended strand (participates in β ladder)trans-142154170.566.4-80.6000109.7V148 L188 S219 L220 F254 A263 I266 V267V148-F236 HydrophobicContact CB-CZ 4.42Å; V148-F236 HydrophobicContact CG1-CE1 4.16Å; V148-F236 HydrophobicContact CG1-CZ 4.01Å; V148-F236 HydrophobicContact CG2-CZ 4.48Å; L188-F236 HydrophobicContact CD2-CE2 3.98Å; L188-F236 HydrophobicContact CD2-CZ 3.87Å; S219-F236 VanDerWaalsContact O-CA 3.3Å; S219-F236 WeakPolarHBondContact O-CA 3.37Å; S219-F236 WeakPolarHBondContact O-CB 3.47Å; L220-F236 HydrophobicContact CD2-CB 4.13Å; F236-F254 HydrophobicContact CD1-CB 4.06Å; F236-F254 HydrophobicContact CD2-CB 4.48Å; F236-F254 HydrophobicContact CD2-CD2 4.15Å; F236-F254 HydrophobicContact CE1-CB 3.55Å; F236-F254 HydrophobicContact CE1-CG 4.4Å; F236-F254 HydrophobicContact CE2-CB 4Å; F236-F254 AromaticContact CE2-CD2 3.7Å; F236-F254 HydrophobicContact CE2-CD2 3.7Å; F236-F254 HydrophobicContact CE2-CE2 4.47Å; F236-F254 HydrophobicContact CE2-CG 4.01Å; F236-F254 HydrophobicContact CZ-CB 3.51Å; F236-F254 HydrophobicContact CZ-CD2 4.04Å; F236-F254 AromaticContact CZ-CG 3.86Å; F236-F254 HydrophobicContact CZ-CG 3.86Å; F236-F254 PolarHBondContact N-O 3.07Å; F236-F254 PolarHBondContact O-N 2.83Å; F236-A263 HydrophobicContact CB-CB 4.41Å; F236-A263 HydrophobicContact CD1-CB 3.62Å; F236-A263 HydrophobicContact CE1-CB 4.35Å; F236-A263 HydrophobicContact CG-CB 4.38Å; F236-I266 HydrophobicContact CE1-CD1 4.04Å; F236-I266 HydrophobicContact CE2-CG2 3.88Å; F236-I266 HydrophobicContact CZ-CD1 4.07Å; F236-I266 HydrophobicContact CZ-CG2 3.91Å; F236-V267 HydrophobicContact CB-CG2 3.43Å; F236-V267 VanDerWaalsContact CB-CG2 3.43Å; F236-V267 HydrophobicContact CD2-CG2 4.04Å; F236-V267 HydrophobicContact CG-CG2 3.92Å
237G95.3Very high72.9Confident0 Ų068.5 Ų68.50%042%0.419CS..EExtended strand (participates in β ladder)trans-132.5153.8174.700000111.6C218 S219 H252C218-G237 VanDerWaalsContact CA-O 3.27Å; C218-G237 WeakPolarHBondContact CA-O 3.4Å; C218-G237 PolarHBondContact SG-O 2.77Å; C218-G237 VanDerWaalsContact SG-O 3.36Å; S219-G237 PolarHBondContact N-O 3.26Å; S219-G237 PolarHBondContact O-N 3.2Å; G237-H252 CarbonylContact C-O 3.53Å; G237-H252 WeakPolarHBondContact CA-O 3.21Å
238F96.6Very high75Confident0 Ų067 Ų670%041%0.408CS..EExtended strand (participates in β ladder)trans-128.7147.5164.878.6-96.7000110.5I195 I197 Y210 I215 H217 C218 A240 C251 H252 F254I195-F238 HydrophobicContact CD1-CD1 4.1Å; I195-F238 HydrophobicContact CD1-CD2 4.3Å; I195-F238 HydrophobicContact CD1-CE1 4.27Å; I195-F238 HydrophobicContact CD1-CE2 4.48Å; I195-F238 HydrophobicContact CD1-CG 4.11Å; I195-F238 HydrophobicContact CD1-CZ 4.47Å; I195-F238 HydrophobicContact CG2-CE1 4Å; I195-F238 HydrophobicContact CG2-CZ 4.07Å; I197-F238 HydrophobicContact CD1-CE1 4.03Å; I197-F238 HydrophobicContact CD1-CZ 3.95Å; Y210-F238 HydrophobicContact CD2-CE2 4.09Å; Y210-F238 AromaticContact CD2-CZ 3.82Å; Y210-F238 HydrophobicContact CD2-CZ 3.82Å; Y210-F238 HydrophobicContact CE2-CZ 4.14Å; Y210-F238 HydrophobicContact CG-CE2 4.09Å; Y210-F238 HydrophobicContact CG-CZ 4.29Å; I215-F238 HydrophobicContact CG2-CD2 4.41Å; H217-F238 CarbonylContact O-C 3.52Å; H217-F238 WeakPolarHBondContact O-CA 3.37Å; H217-F238 WeakPolarHBondContact O-CB 3.28Å; C218-F238 HydrophobicContact CB-CB 3.94Å; F238-A240 HydrophobicContact CD2-CB 4.15Å; F238-A240 HydrophobicContact CE2-CB 3.87Å; F238-C251 WeakPolarHBondContact O-CA 3.15Å; F238-H252 HydrophobicContact CD1-CB 4.3Å; F238-H252 HydrophobicContact CE1-CB 3.92Å; F238-H252 AromaticContact CE2-CD2 3.54Å; F238-H252 HydrophobicContact CZ-CB 4.14Å; F238-H252 AromaticContact CZ-CD2 3.44Å; F238-H252 VanDerWaalsContact CZ-CD2 3.44Å; F238-H252 WeakPolarHBondContact CZ-CD2 3.49Å; F238-H252 AromaticContact CZ-CG 3.94Å; F238-H252 PolarHBondContact N-O 3.32Å; F238-H252 VanDerWaalsContact N-O 3.08Å; F238-H252 PolarHBondContact O-N 2.91Å; F238-F254 AromaticContact CD1-CE2 3.63Å; F238-F254 HydrophobicContact CD1-CE2 3.63Å; F238-F254 HydrophobicContact CD1-CZ 4.25Å; F238-F254 AromaticContact CE1-CE2 3.54Å; F238-F254 HydrophobicContact CE1-CE2 3.54Å; F238-F254 AromaticContact CE1-CZ 3.68Å; F238-F254 HydrophobicContact CE1-CZ 3.68Å
239V96.1Very high77.3Confident0 Ų061.2 Ų61.20%037%0.367CS..EExtended strand (participates in β ladder)trans-106.1129.6177.4-172.80000107.8A164 V165 T216 H217 N249 V250 C251A164-V239 HydrophobicContact CB-CG1 4.34Å; A164-V239 HydrophobicContact CB-CG2 3.71Å; V165-V239 HydrophobicContact CG2-CG2 3.91Å; T216-V239 PolarHBondContact N-O 2.93Å; T216-V239 PolarHBondContact OG1-O 3.08Å; H217-V239 HydrophobicContact CB-CB 4.1Å; H217-V239 HydrophobicContact CB-CG2 4.08Å; H217-V239 PolarHBondContact N-O 3.1Å; H217-V239 PolarHBondContact O-N 2.98Å; V239-N249 HydrophobicContact CG1-CB 3.91Å; V239-V250 WeakPolarHBondContact CA-O 3.38Å; V239-C251 HydrophobicContact CG2-CB 4.28Å
240A95.1Very high79.9Confident0 Ų057.8 Ų57.80%033%0.329CS..EExtended strand (participates in β ladder)trans-132.6146173.700000111.2Y210 T214 I215 F238 N249 V250Y210-A240 HydrophobicContact CD1-CB 3.59Å; Y210-A240 HydrophobicContact CE1-CB 4.25Å; Y210-A240 HydrophobicContact CG-CB 4.17Å; T214-A240 CarbonylContact O-C 3.56Å; T214-A240 VanDerWaalsContact O-CA 3.22Å; T214-A240 WeakPolarHBondContact O-CA 3.48Å; I215-A240 HydrophobicContact CG1-CB 4.32Å; F238-A240 HydrophobicContact CD2-CB 4.15Å; F238-A240 HydrophobicContact CE2-CB 3.87Å; A240-N249 WeakPolarHBondContact O-CA 3.08Å; A240-V250 PolarHBondContact N-O 3.28Å; A240-V250 WeakPolarHBondContact O-CG1 3.27Å; A240-V250 PolarHBondContact O-N 3.48Å
241R91.9Very high82.3Confident101 Ų10153.8 Ų53.838%0.38130%0.301SS..EExtended strand (participates in β ladder)trans-71.6131.6169.9-74.6-178-81.8-142.30.2109.8P213 T214 T216 S243 N249P213-R241 PolarHBondContact O-NH2 2.99Å; T214-R241 PolarHBondContact O-N 3.34Å; T216-R241 HydrophobicContact CG2-CG 4.28Å; R241-S243 PolarHBondContact O-N 3.1Å; R241-N249 WeakPolarHBondContact CG-OD1 3.43Å
242K85.6Confident84.7Confident107 Ų10746.2 Ų46.247%0.46526%0.264SS..EExtended strand (participates in β ladder)trans-62.3-30.2178.6-151.4177-165.3172.80111.9E155 E248E155-K242 IonicContact OE1-NZ 2.75Å; E155-K242 PolarHBondContact OE1-NZ 3.5Å; E155-K242 IonicContact OE2-NZ 2.79Å; E155-K242 PolarHBondContact OE2-NZ 2.72Å; K242-E248 HydrophobicContact CB-CB 4.33Å; K242-E248 WeakPolarHBondContact CB-O 3.3Å; K242-E248 PolarHBondContact N-O 3.13Å
243S76.7Confident86.6Confident54 Ų5442.5 Ų42.538%0.37824%0.239SC..EExtended strand (participates in β ladder)trans-154.2153.1171.8173.60000109.3R241 A245 K246R241-S243 PolarHBondContact O-N 3.1Å; S243-A245 PolarHBondContact O-N 3.38Å; S243-A245 PolarHBondContact OG-N 2.88Å; S243-K246 PolarHBondContact O-N 3.22Å
244V68.4Low87.9Confident114 Ų11440.8 Ų40.869%0.69123%0.225SC*.THydrogen-bonded Turntrans-63.4-27.1175.3-173.90000111.5T214T214-V244 HydrophobicContact CG2-CG2 4.12Å
245A67.1Low88.3Confident95 Ų9538.3 Ų38.379%0.78521%0.214SC*.THydrogen-bonded Turntrans-88.7-11.8-176.900000114.5S243S243-A245 PolarHBondContact O-N 3.38Å; S243-A245 PolarHBondContact OG-N 2.88Å
246K69.8Low88.2Confident125 Ų12541 Ų4154%0.54323%0.227SC..EExtended strand (participates in β ladder)trans-118.7141.4-177.6-68.6-170.8174.1-168.90110.1S243 E248S243-K246 PolarHBondContact O-N 3.22Å; K246-E248 PolarHBondContact O-N 3.46Å
247S75.8Confident87.9Confident97 Ų9744.5 Ų44.568%0.67825%0.245SC*.EExtended strand (participates in β ladder)trans-78.411.4177.457.80000113.9
248E88.9Confident87.2Confident73 Ų7347.7 Ų47.734%0.34126%0.26SS..EExtended strand (participates in β ladder)trans-81.2120.4-179.5-69.1170.3-167.100110.6K242 K246K242-E248 HydrophobicContact CB-CB 4.33Å; K242-E248 WeakPolarHBondContact CB-O 3.3Å; K242-E248 PolarHBondContact N-O 3.13Å; K246-E248 PolarHBondContact O-N 3.46Å
249N93.7Very high86.3Confident14 Ų1452.8 Ų52.88%0.07529%0.293CS..EExtended strand (participates in β ladder)trans-98.4144.9175.9-60.3-49.2000110.3T156 E157 S158 L159 V239 A240 R241T156-N249 PolarHBondContact N-O 2.89Å; T156-N249 WeakPolarHBondContact OG1-CB 3.49Å; T156-N249 PolarHBondContact OG1-O 2.73Å; E157-N249 PolarHBondContact N-O 3.09Å; E157-N249 VanDerWaalsContact O-CB 3.3Å; E157-N249 WeakPolarHBondContact O-CB 3.4Å; E157-N249 PolarHBondContact O-N 3.33Å; E157-N249 PolarHBondContact O-ND2 3.47Å; S158-N249 PolarHBondContact O-ND2 2.98Å; L159-N249 WeakPolarHBondContact O-CB 3.31Å; L159-N249 PolarHBondContact O-ND2 2.99Å; V239-N249 HydrophobicContact CG1-CB 3.91Å; A240-N249 WeakPolarHBondContact O-CA 3.08Å; R241-N249 WeakPolarHBondContact CG-OD1 3.43Å
250V95.4Very high85.4Confident14 Ų1461.5 Ų61.59%0.08533%0.334CS..EExtended strand (participates in β ladder)trans-121.1135.8166.361.30000107.9N154 Y210 V239 A240 H252N154-V250 WeakPolarHBondContact O-CA 3.15Å; N154-V250 WeakPolarHBondContact O-CG2 3.47Å; Y210-V250 HydrophobicContact CE1-CG1 4.06Å; V239-V250 WeakPolarHBondContact CA-O 3.38Å; A240-V250 PolarHBondContact N-O 3.28Å; A240-V250 WeakPolarHBondContact O-CG1 3.27Å; A240-V250 PolarHBondContact O-N 3.48Å; V250-H252 WeakPolarHBondContact CG1-NE2 3.4Å
251C96.7Very high84.8Confident0 Ų064.7 Ų64.70%035%0.349CS..EExtended strand (participates in β ladder)trans-111.2132.3174.1-179.10000109.3S153 N154 T156 T168 F238 V239S153-C251 CarbonylContact C-O 3.57Å; S153-C251 WeakPolarHBondContact CA-O 3.29Å; N154-C251 PolarHBondContact N-O 3.07Å; N154-C251 PolarHBondContact O-N 2.96Å; T156-C251 HydrophobicContact CG2-CB 3.74Å; T168-C251 HydrophobicContact CG2-CB 4.22Å; T168-C251 WeakPolarHBondContact OG1-CB 3.4Å; T168-C251 PolarHBondContact OG1-SG 2.94Å; F238-C251 WeakPolarHBondContact O-CA 3.15Å; V239-C251 HydrophobicContact CG2-CB 4.28Å
252H96.5Very high84.6Confident1 Ų161.7 Ų61.71%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-111.4131.3177.8-58.7-77.7000109S153 Y210 G237 F238 V250 F254S153-H252 WeakPolarHBondContact CB-ND1 3.28Å; S153-H252 PolarHBondContact OG-CE1 3.44Å; S153-H252 PolarHBondContact OG-ND1 2.99Å; Y210-H252 AromaticContact CE1-NE2 3.57Å; Y210-H252 AromaticContact CE2-NE2 3.82Å; Y210-H252 AromaticContact CZ-CE1 3.7Å; Y210-H252 AromaticContact CZ-NE2 3.16Å; Y210-H252 PolarHBondContact OH-CE1 3.45Å; Y210-H252 PolarHBondContact OH-NE2 2.72Å; G237-H252 CarbonylContact C-O 3.53Å; G237-H252 WeakPolarHBondContact CA-O 3.21Å; F238-H252 HydrophobicContact CD1-CB 4.3Å; F238-H252 HydrophobicContact CE1-CB 3.92Å; F238-H252 AromaticContact CE2-CD2 3.54Å; F238-H252 HydrophobicContact CZ-CB 4.14Å; F238-H252 AromaticContact CZ-CD2 3.44Å; F238-H252 VanDerWaalsContact CZ-CD2 3.44Å; F238-H252 WeakPolarHBondContact CZ-CD2 3.49Å; F238-H252 AromaticContact CZ-CG 3.94Å; F238-H252 PolarHBondContact N-O 3.32Å; F238-H252 VanDerWaalsContact N-O 3.08Å; F238-H252 PolarHBondContact O-N 2.91Å; V250-H252 WeakPolarHBondContact CG1-NE2 3.4Å; H252-F254 HydrophobicContact CB-CE2 3.47Å; H252-F254 VanDerWaalsContact CB-CE2 3.47Å; H252-F254 HydrophobicContact CB-CZ 3.65Å
253V95.2Very high84.7Confident1 Ų156.6 Ų56.61%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-116.4136.1179178.90000110.3L151 F152 T168 V169 I235L151-V253 HydrophobicContact CD1-CG1 4.06Å; L151-V253 PolarHBondContact N-O 3.12Å; F152-V253 PolarHBondContact N-O 2.92Å; F152-V253 PolarHBondContact O-N 3.21Å; T168-V253 HydrophobicContact CG2-CB 4.45Å; T168-V253 HydrophobicContact CG2-CG2 3.45Å; T168-V253 VanDerWaalsContact CG2-CG2 3.45Å; V169-V253 HydrophobicContact CG2-CG1 4.24Å; V169-V253 HydrophobicContact CG2-CG2 4.07Å; I235-V253 HydrophobicContact CB-CG1 4.46Å; I235-V253 HydrophobicContact CD1-CG1 4.18Å
254F94.9Very high85.3Confident0 Ų056.3 Ų56.30%032%0.318CS..EExtended strand (participates in β ladder)trans-131154.4-177-50.7-96.2000110.1V148 T149 Y150 V186 L188 I197 I235 F236 F238 H252V148-F254 HydrophobicContact CB-CB 4.49Å; V148-F254 HydrophobicContact CG2-CB 4.31Å; V148-F254 HydrophobicContact CG2-CD1 3.61Å; V148-F254 HydrophobicContact CG2-CE1 4.31Å; V148-F254 HydrophobicContact CG2-CG 4.23Å; T149-F254 CarbonylContact O-C 3.33Å; T149-F254 WeakPolarHBondContact O-CA 3.4Å; Y150-F254 HydrophobicContact CD2-CD1 4.15Å; Y150-F254 AromaticContact CD2-CE1 3.64Å; Y150-F254 HydrophobicContact CD2-CE1 3.64Å; Y150-F254 HydrophobicContact CD2-CZ 4.19Å; Y150-F254 HydrophobicContact CG-CE1 4.5Å; V186-F254 HydrophobicContact CG2-CD1 4.22Å; V186-F254 HydrophobicContact CG2-CE1 4.11Å; L188-F254 HydrophobicContact CD1-CE1 4.48Å; L188-F254 HydrophobicContact CD1-CZ 4.45Å; I197-F254 HydrophobicContact CD1-CE1 4.13Å; I197-F254 HydrophobicContact CD1-CZ 3.64Å; I197-F254 HydrophobicContact CG1-CE1 4.47Å; I197-F254 HydrophobicContact CG1-CZ 4.26Å; I197-F254 HydrophobicContact CG2-CE1 4.28Å; I235-F254 CarbonylContact C-O 3.24Å; I235-F254 WeakPolarHBondContact CA-O 3.21Å; I235-F254 VanDerWaalsContact CB-O 3.29Å; I235-F254 WeakPolarHBondContact CB-O 3.3Å; F236-F254 HydrophobicContact CD1-CB 4.06Å; F236-F254 HydrophobicContact CD2-CB 4.48Å; F236-F254 HydrophobicContact CD2-CD2 4.15Å; F236-F254 HydrophobicContact CE1-CB 3.55Å; F236-F254 HydrophobicContact CE1-CG 4.4Å; F236-F254 HydrophobicContact CE2-CB 4Å; F236-F254 AromaticContact CE2-CD2 3.7Å; F236-F254 HydrophobicContact CE2-CD2 3.7Å; F236-F254 HydrophobicContact CE2-CE2 4.47Å; F236-F254 HydrophobicContact CE2-CG 4.01Å; F236-F254 HydrophobicContact CZ-CB 3.51Å; F236-F254 HydrophobicContact CZ-CD2 4.04Å; F236-F254 AromaticContact CZ-CG 3.86Å; F236-F254 HydrophobicContact CZ-CG 3.86Å; F236-F254 PolarHBondContact N-O 3.07Å; F236-F254 PolarHBondContact O-N 2.83Å; F238-F254 AromaticContact CD1-CE2 3.63Å; F238-F254 HydrophobicContact CD1-CE2 3.63Å; F238-F254 HydrophobicContact CD1-CZ 4.25Å; F238-F254 AromaticContact CE1-CE2 3.54Å; F238-F254 HydrophobicContact CE1-CE2 3.54Å; F238-F254 AromaticContact CE1-CZ 3.68Å; F238-F254 HydrophobicContact CE1-CZ 3.68Å; H252-F254 HydrophobicContact CB-CE2 3.47Å; H252-F254 VanDerWaalsContact CB-CE2 3.47Å; H252-F254 HydrophobicContact CB-CZ 3.65Å
255A91Very high86.2Confident6 Ų653.2 Ų53.25%0.0531%0.305CS..EExtended strand (participates in β ladder)trans-112.4149.816600000110.5T149 L151 A233 I235T149-A255 PolarHBondContact N-O 3.46Å; T149-A255 PolarHBondContact O-N 3.18Å; L151-A255 HydrophobicContact CD1-CB 4.14Å; L151-A255 HydrophobicContact CD2-CB 4.06Å; L151-A255 HydrophobicContact CG-CB 4.32Å; A233-A255 HydrophobicContact CB-CB 4.39Å; I235-A255 HydrophobicContact CG2-CB 4.04Å
256E88.6Confident87.3Confident58 Ų5849.4 Ų49.427%0.27127%0.271SS..  trans-51.7138.8165.9-173.2175138.500111M234 P262 A263M234-E256 PolarHBondContact O-N 3.43Å; M234-E256 VanDerWaalsContact O-N 3.12Å; E256-P262 WeakPolarHBondContact OE2-CA 3.3Å; E256-A263 HydrophobicContact CB-CB 4.48Å; E256-A263 PolarHBondContact OE2-N 3.29Å
257L85.9Confident88.3Confident74 Ų7443.9 Ų43.939%0.38725%0.247SC..  trans-120.6-44.3176.6-179.167.5000110.9N147 V185N147-L257 HydrophobicContact CB-CD2 3.78Å; V185-L257 HydrophobicContact CB-CD2 4.42Å; V185-L257 HydrophobicContact CG1-CD2 3.64Å; V185-L257 HydrophobicContact CG2-CD1 4.44Å; V185-L257 HydrophobicContact CG2-CD2 3.96Å
258E80.9Confident88.8Confident68 Ų6843.7 Ų43.732%0.31824%0.239SC..  trans-108.9123.2-177.9-64.6177-168.300109.7N147 E260 Q261N147-E258 PolarHBondContact ND2-OE1 3.45Å; E258-E260 PolarHBondContact O-N 3.15Å; E258-Q261 HydrophobicContact CB-CB 4.45Å; E258-Q261 CarbonylContact O-C 3.6Å; E258-Q261 PolarHBondContact O-N 2.67Å
259P78.2Confident88.7Confident107 Ų10742.8 Ų42.870%0.69523%0.234SC*.THydrogen-bonded Turntrans-65.8-22.7-17725.7-33.9000113.1Q261P259-Q261 PolarHBondContact O-N 2.91Å
260E78.2Confident88.6Confident182 Ų18242.1 Ų42.185%0.8523%0.23SC*.THydrogen-bonded Turntrans-74.7-13.5175.1-55.3-155.3-157.900112.6E258 P262E258-E260 PolarHBondContact O-N 3.15Å; E260-P262 VanDerWaalsContact C-CD 3.45Å; E260-P262 WeakPolarHBondContact O-CD 3.41Å
261Q82.5Confident88.2Confident68 Ų6843 Ų4332%0.31824%0.237SC..SBendtrans-127.865.7179.9-61.1-175.7-4.900109.8C146 E258 P259C146-Q261 VanDerWaalsContact CA-OE1 3.27Å; E258-Q261 HydrophobicContact CB-CB 4.45Å; E258-Q261 CarbonylContact O-C 3.6Å; E258-Q261 PolarHBondContact O-N 2.67Å; P259-Q261 PolarHBondContact O-N 2.91Å
262P86.3Confident87.5Confident38 Ų3852.4 Ų52.425%0.24727%0.273CS..  trans-64.2151.1-173.427.6-35.2000111.1E256 E260 S264 A265 I266E256-P262 WeakPolarHBondContact OE2-CA 3.3Å; E260-P262 VanDerWaalsContact C-CD 3.45Å; E260-P262 WeakPolarHBondContact O-CD 3.41Å; P262-S264 PolarHBondContact O-N 3.45Å; P262-A265 HydrophobicContact CG-CB 3.91Å; P262-A265 WeakPolarHBondContact O-CB 3.42Å; P262-A265 PolarHBondContact O-N 2.9Å; P262-I266 PolarHBondContact O-N 3.47Å
263A89.2Confident86.7Confident0 Ų053.7 Ų53.70%028%0.28CS..Hα-helixtrans-50.9-36.8179.900000112.3L220 M234 F236 E256 A265 I266 V267L220-A263 HydrophobicContact CD2-CB 3.68Å; M234-A263 HydrophobicContact CB-CB 3.91Å; F236-A263 HydrophobicContact CB-CB 4.41Å; F236-A263 HydrophobicContact CD1-CB 3.62Å; F236-A263 HydrophobicContact CE1-CB 4.35Å; F236-A263 HydrophobicContact CG-CB 4.38Å; E256-A263 HydrophobicContact CB-CB 4.48Å; E256-A263 PolarHBondContact OE2-N 3.29Å; A263-A265 PolarHBondContact O-N 3.1Å; A263-I266 PolarHBondContact O-N 2.79Å; A263-V267 WeakPolarHBondContact O-CG2 3.31Å; A263-V267 PolarHBondContact O-N 3.42Å
264S89Confident86.2Confident48 Ų4854.2 Ų54.234%0.33628%0.283SS..Hα-helixtrans-63.9-38.3178.859.20000113.6P262 N268P262-S264 PolarHBondContact O-N 3.45Å; S264-N268 VanDerWaalsContact O-CB 3.28Å; S264-N268 WeakPolarHBondContact O-CB 3.29Å; S264-N268 PolarHBondContact O-N 2.89Å; S264-N268 PolarHBondContact O-ND2 2.9Å; S264-N268 VanDerWaalsContact O-ND2 3.13Å
265A86.2Confident85.5Confident49 Ų4956.7 Ų56.741%0.40530%0.296SS..Hα-helixtrans-66.8-40.8175.900000111P262 A263 N268 F269P262-A265 HydrophobicContact CG-CB 3.91Å; P262-A265 WeakPolarHBondContact O-CB 3.42Å; P262-A265 PolarHBondContact O-N 2.9Å; A263-A265 PolarHBondContact O-N 3.1Å; A265-N268 PolarHBondContact O-N 3.5Å; A265-F269 WeakPolarHBondContact O-CB 3.2Å; A265-F269 PolarHBondContact O-N 2.9Å
266I90.3Very high84.4Confident14 Ų1460.8 Ų60.87%0.07232%0.321CS..Hα-helixtrans-63.2-50.8178.1-59.3172000110.7V148 L188 F236 P262 A263 N268 F269 I270V148-I266 HydrophobicContact CG1-CD1 3.64Å; L188-I266 HydrophobicContact CD2-CG2 3.78Å; F236-I266 HydrophobicContact CE1-CD1 4.04Å; F236-I266 HydrophobicContact CE2-CG2 3.88Å; F236-I266 HydrophobicContact CZ-CD1 4.07Å; F236-I266 HydrophobicContact CZ-CG2 3.91Å; P262-I266 PolarHBondContact O-N 3.47Å; A263-I266 PolarHBondContact O-N 2.79Å; I266-N268 VanDerWaalsContact C-N 3.32Å; I266-N268 PolarHBondContact O-N 3.12Å; I266-F269 PolarHBondContact O-N 2.98Å; I266-F269 VanDerWaalsContact O-N 3.16Å; I266-I270 HydrophobicContact CG2-CD1 3.9Å; I266-I270 WeakPolarHBondContact O-CG1 3.13Å; I266-I270 PolarHBondContact O-N 3.02Å
267V91.2Very high82.7Confident9 Ų962.8 Ų62.86%0.05534%0.338CS..Hα-helixtrans-61.4-41.8178.8173.70000111.1L220 F236 A263 F269 I270 S271L220-V267 HydrophobicContact CD2-CB 4.37Å; L220-V267 HydrophobicContact CD2-CG2 3.81Å; L220-V267 HydrophobicContact CG-CB 4.2Å; L220-V267 HydrophobicContact CG-CG1 4.4Å; L220-V267 HydrophobicContact CG-CG2 3.95Å; F236-V267 HydrophobicContact CB-CG2 3.43Å; F236-V267 VanDerWaalsContact CB-CG2 3.43Å; F236-V267 HydrophobicContact CD2-CG2 4.04Å; F236-V267 HydrophobicContact CG-CG2 3.92Å; A263-V267 WeakPolarHBondContact O-CG2 3.31Å; A263-V267 PolarHBondContact O-N 3.42Å; V267-F269 VanDerWaalsContact C-N 3.33Å; V267-F269 PolarHBondContact O-N 3.02Å; V267-I270 PolarHBondContact O-N 2.85Å; V267-S271 VanDerWaalsContact O-CB 3.29Å; V267-S271 WeakPolarHBondContact O-CB 3.3Å; V267-S271 PolarHBondContact O-N 3.23Å; V267-S271 PolarHBondContact O-OG 3.46Å
268N86.6Confident80.6Confident94 Ų9463.3 Ų63.350%0.50335%0.348SS..Hα-helixtrans-61.5-41.7175.3-79.1-27000112.1S264 A265 I266 S271 R272S264-N268 VanDerWaalsContact O-CB 3.28Å; S264-N268 WeakPolarHBondContact O-CB 3.29Å; S264-N268 PolarHBondContact O-N 2.89Å; S264-N268 PolarHBondContact O-ND2 2.9Å; S264-N268 VanDerWaalsContact O-ND2 3.13Å; A265-N268 PolarHBondContact O-N 3.5Å; I266-N268 VanDerWaalsContact C-N 3.32Å; I266-N268 PolarHBondContact O-N 3.12Å; N268-S271 PolarHBondContact O-N 3.04Å; N268-R272 WeakPolarHBondContact O-CG 3.34Å; N268-R272 PolarHBondContact O-N 3.42Å
269F86.9Confident78.2Confident53 Ų5368.8 Ų68.823%0.23237%0.374CS..Hα-helixtrans-65.4-48.7177.5-172.1-100.4000111.7A144 V190 A265 I266 V267 S271 R272 V273A144-F269 HydrophobicContact CB-CD1 4.05Å; A144-F269 HydrophobicContact CB-CE1 3.51Å; A144-F269 HydrophobicContact CB-CE2 4.27Å; A144-F269 HydrophobicContact CB-CZ 3.63Å; V190-F269 HydrophobicContact CB-CD1 3.82Å; V190-F269 HydrophobicContact CB-CE1 3.81Å; V190-F269 HydrophobicContact CG1-CD1 3.72Å; V190-F269 HydrophobicContact CG1-CE1 3.81Å; A265-F269 WeakPolarHBondContact O-CB 3.2Å; A265-F269 PolarHBondContact O-N 2.9Å; I266-F269 PolarHBondContact O-N 2.98Å; I266-F269 VanDerWaalsContact O-N 3.16Å; V267-F269 VanDerWaalsContact C-N 3.33Å; V267-F269 PolarHBondContact O-N 3.02Å; F269-S271 VanDerWaalsContact C-N 3.27Å; F269-S271 PolarHBondContact O-N 3.3Å; F269-R272 PolarHBondContact O-N 2.92Å; F269-V273 HydrophobicContact CD1-CG2 4.13Å; F269-V273 HydrophobicContact CD2-CG2 4.21Å; F269-V273 HydrophobicContact CE1-CG2 3.8Å; F269-V273 HydrophobicContact CE2-CG2 3.89Å; F269-V273 HydrophobicContact CG-CG2 4.32Å; F269-V273 HydrophobicContact CZ-CG2 3.68Å; F269-V273 WeakPolarHBondContact O-CB 3.41Å; F269-V273 VanDerWaalsContact O-CG2 3.3Å; F269-V273 WeakPolarHBondContact O-CG2 3.38Å; F269-V273 PolarHBondContact O-N 3.28Å
270I90.3Very high75.9Confident0 Ų070 Ų700%038%0.379CS..Hα-helixtrans-55.2-46.5174.3-69.1168000110.3V190 I195 C218 I266 V267 R272 V273 I274 L275V190-I270 HydrophobicContact CB-CG1 4.34Å; V190-I270 HydrophobicContact CG1-CG1 3.78Å; V190-I270 HydrophobicContact CG2-CD1 4.08Å; V190-I270 HydrophobicContact CG2-CG1 3.61Å; I195-I270 HydrophobicContact CD1-CD1 3.91Å; I195-I270 HydrophobicContact CD1-CG1 4.16Å; I195-I270 HydrophobicContact CD1-CG2 4.12Å; C218-I270 HydrophobicContact CB-CG2 3.76Å; I266-I270 HydrophobicContact CG2-CD1 3.9Å; I266-I270 WeakPolarHBondContact O-CG1 3.13Å; I266-I270 PolarHBondContact O-N 3.02Å; V267-I270 PolarHBondContact O-N 2.85Å; I270-R272 VanDerWaalsContact C-N 3.34Å; I270-R272 PolarHBondContact O-N 3.25Å; I270-V273 PolarHBondContact O-N 3.27Å; I270-I274 HydrophobicContact CG2-CB 4.46Å; I270-I274 HydrophobicContact CG2-CD1 4.38Å; I270-I274 WeakPolarHBondContact O-CA 3.33Å; I270-I274 VanDerWaalsContact O-CB 3.29Å; I270-I274 WeakPolarHBondContact O-CB 3.33Å; I270-I274 PolarHBondContact O-N 3.17Å; I270-L275 PolarHBondContact O-N 3.03Å
271S87.2Confident73.5Confident32 Ų3266.2 Ų66.222%0.22437%0.369CS..Iπ-helixtrans-62.4-41.6-178-600000112V267 N268 F269 L275 T276V267-S271 VanDerWaalsContact O-CB 3.29Å; V267-S271 WeakPolarHBondContact O-CB 3.3Å; V267-S271 PolarHBondContact O-N 3.23Å; V267-S271 PolarHBondContact O-OG 3.46Å; N268-S271 PolarHBondContact O-N 3.04Å; F269-S271 VanDerWaalsContact C-N 3.27Å; F269-S271 PolarHBondContact O-N 3.3Å; S271-L275 CarbonylContact O-C 3.48Å; S271-L275 PolarHBondContact O-N 3.02Å; S271-T276 WeakPolarHBondContact O-CB 3.31Å; S271-T276 PolarHBondContact O-N 3.37Å; S271-T276 PolarHBondContact O-OG1 3.4Å
272R81.7Confident70.7Confident199 Ų19968.5 Ų68.575%0.75139%0.392SS*.Iπ-helixtrans-70.1-39.8177.9-74.8-179.3-179.4-174.11.4113.4N268 F269 I270N268-R272 WeakPolarHBondContact O-CG 3.34Å; N268-R272 PolarHBondContact O-N 3.42Å; F269-R272 PolarHBondContact O-N 2.92Å; I270-R272 VanDerWaalsContact C-N 3.34Å; I270-R272 PolarHBondContact O-N 3.25Å
273V79.8Confident67.8Low27 Ų2772.5 Ų72.516%0.16442%0.416CS..Iπ-helixtrans-84.1-36.3-173.6176.60000112.3L140 F269 I270L140-V273 HydrophobicContact CD2-CB 4.23Å; L140-V273 HydrophobicContact CD2-CG1 3.81Å; L140-V273 HydrophobicContact CD2-CG2 3.72Å; F269-V273 HydrophobicContact CD1-CG2 4.13Å; F269-V273 HydrophobicContact CD2-CG2 4.21Å; F269-V273 HydrophobicContact CE1-CG2 3.8Å; F269-V273 HydrophobicContact CE2-CG2 3.89Å; F269-V273 HydrophobicContact CG-CG2 4.32Å; F269-V273 HydrophobicContact CZ-CG2 3.68Å; F269-V273 WeakPolarHBondContact O-CB 3.41Å; F269-V273 VanDerWaalsContact O-CG2 3.3Å; F269-V273 WeakPolarHBondContact O-CG2 3.38Å; F269-V273 PolarHBondContact O-N 3.28Å; I270-V273 PolarHBondContact O-N 3.27Å
274I84.9Confident65Low12 Ų1283.9 Ų83.96%0.06248%0.477CS..Iπ-helixtrans-113.6-48.5-167.1-59.1-174.3000111.6V190 I195 V212 I215 I270V190-I274 HydrophobicContact CG1-CD1 3.83Å; V190-I274 HydrophobicContact CG1-CG1 4.39Å; I195-I274 HydrophobicContact CD1-CD1 4.12Å; I195-I274 HydrophobicContact CG1-CD1 3.63Å; V212-I274 HydrophobicContact CB-CG2 4.42Å; V212-I274 HydrophobicContact CG1-CG2 3.98Å; V212-I274 HydrophobicContact CG2-CG1 4.24Å; V212-I274 HydrophobicContact CG2-CG2 4.39Å; I215-I274 HydrophobicContact CB-CG2 3.84Å; I215-I274 HydrophobicContact CD1-CD1 3.72Å; I215-I274 HydrophobicContact CD1-CG2 3.95Å; I215-I274 HydrophobicContact CG2-CG2 3.97Å; I270-I274 HydrophobicContact CG2-CB 4.46Å; I270-I274 HydrophobicContact CG2-CD1 4.38Å; I270-I274 WeakPolarHBondContact O-CA 3.33Å; I270-I274 VanDerWaalsContact O-CB 3.29Å; I270-I274 WeakPolarHBondContact O-CB 3.33Å; I270-I274 PolarHBondContact O-N 3.17Å
275L80.3Confident63.8Low52 Ų5285.7 Ų85.727%0.27248%0.484SS..Iπ-helixtrans-94-9.8-170-60172.6000114.4I215 C218 I270 S271 P277I215-L275 HydrophobicContact CG2-CD2 4.29Å; C218-L275 HydrophobicContact CB-CD1 3.83Å; I270-L275 PolarHBondContact O-N 3.03Å; S271-L275 CarbonylContact O-C 3.48Å; S271-L275 PolarHBondContact O-N 3.02Å; L275-P277 WeakPolarHBondContact O-CD 3.5Å
276T69.2Low62.6Low93 Ų9387.6 Ų87.657%0.57149%0.488SS*.  trans-100.577.9169.5-42.10000108.7S271 S278S271-T276 WeakPolarHBondContact O-CB 3.31Å; S271-T276 PolarHBondContact O-N 3.37Å; S271-T276 PolarHBondContact O-OG1 3.4Å; T276-S278 PolarHBondContact O-N 3.43Å
277P51.2Low61.1Low99 Ų9991.7 Ų91.764%0.64351%0.511SS*.  trans-65.3137.5165.526.1-25.6000107L275 Q279L275-P277 WeakPolarHBondContact O-CD 3.5Å; P277-Q279 PolarHBondContact O-N 3.05Å
278S42.2Very low59.3Low86 Ų8696.6 Ų96.660%0.60154%0.538SS*.  trans-37.5116.1165.4-57.40000108.4T276 T280T276-S278 PolarHBondContact O-N 3.43Å; S278-T280 VanDerWaalsContact C-N 3.29Å; S278-T280 PolarHBondContact O-N 3.22Å
279Q31.8Very low57.6Low183 Ų18396.8 Ų96.886%0.85554%0.54SS*.  trans-53.798.8175.7-74.9-177.1-600108P277 V281P277-Q279 PolarHBondContact O-N 3.05Å; Q279-V281 VanDerWaalsContact C-N 3.31Å; Q279-V281 PolarHBondContact O-N 3.38Å; Q279-V281 VanDerWaalsContact O-N 3.11Å
280T28.2Very low55.7Low131 Ų13199.7 Ų99.780%0.80456%0.561SS**  trans-67.5100.4157.439.40000104.7S278 S282S278-T280 VanDerWaalsContact C-N 3.29Å; S278-T280 PolarHBondContact O-N 3.22Å; T280-S282 VanDerWaalsContact C-N 3.33Å; T280-S282 PolarHBondContact O-N 2.7Å
281V27.5Very low53.2Low104 Ų104106.8 Ų106.863%0.6360%0.601SS**  trans-62.199.8166.3177.90000106.4Q279 T283Q279-V281 VanDerWaalsContact C-N 3.31Å; Q279-V281 PolarHBondContact O-N 3.38Å; Q279-V281 VanDerWaalsContact O-N 3.11Å; V281-T283 HydrophobicContact CG1-CG2 3.76Å; V281-T283 PolarHBondContact O-N 3.39Å
282S24.3Very low50.6Low116 Ų116112.5 Ų112.581%0.81163%0.63SS**  trans-76.697.4158.839.40000107T280T280-S282 VanDerWaalsContact C-N 3.33Å; T280-S282 PolarHBondContact O-N 2.7Å
283T26.7Very low48Very low122 Ų122105.3 Ų105.375%0.74862%0.62SS**  trans-92.7107.1158.1420000107.6V281V281-T283 HydrophobicContact CG1-CG2 3.76Å; V281-T283 PolarHBondContact O-N 3.39Å
284D30Very low45.1Very low239 Ų239112.5 Ų112.5100%1.27866%0.661SS**  trans-79.50145.1-80.6-31.3000109.1

Retrieved 284 of 284 residues in 238.3 ms (Link to these results)

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