G4LYK2_SCHMA Loading...

Retinal rod rhodopsin-sensitive cgmp 3',5'-cyclic phosphodiesterase, putative

AlphaFold DB , UniProt , Accession G4LYK2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 151 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
1M58.8Low83.1Confident191 Ų191109.5 Ų109.594%0.94152%0.516SS*.  0-67.90-143.9153177.200109.9K3 M4 D5M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 2.57Å; M1-M4 PolarHBondContact O-N 3.23Å; M1-D5 PolarHBondContact O-N 3.32Å
2Y68.5Low84.2Confident213 Ų213100.6 Ų100.684%0.83547%0.474SS*.Hα-helixtrans-45.8-40.8-178.8-63.4-74.9000117.8H6Y2-H6 WeakPolarHBondContact O-CB 3.16Å; Y2-H6 PolarHBondContact O-N 3.2Å
3K72.7Confident85.1Confident152 Ų15297.4 Ų97.466%0.66146%0.461SS*.Hα-helixtrans-66.5-39.5-179.3-169-179.2177.9-165.70112.8M1 H6 E7M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 2.57Å; K3-H6 PolarHBondContact O-N 2.82Å; K3-E7 WeakPolarHBondContact CE-OE1 3.45Å; K3-E7 IonicContact NZ-OE1 3.6Å; K3-E7 WeakPolarHBondContact O-CG 3.18Å; K3-E7 PolarHBondContact O-N 2.68Å; K3-E7 VanDerWaalsContact O-N 3.07Å
4M74.7Confident85.9Confident134 Ų134101.3 Ų101.366%0.6648%0.475SS*.Hα-helixtrans-68.8-40.2179.2-71.8-71.3165.800110.9M1 H6 E7 K8M1-M4 PolarHBondContact O-N 3.23Å; M4-H6 VanDerWaalsContact C-N 3.33Å; M4-H6 PolarHBondContact O-N 3.32Å; M4-E7 PolarHBondContact O-N 2.79Å; M4-K8 WeakPolarHBondContact O-CB 3.41Å; M4-K8 PolarHBondContact O-N 3.12Å
5D86Confident86.7Confident64 Ų6495.2 Ų95.234%0.34245%0.451SS..Hα-helixtrans-63.3-41.8176.7-58.9-31.5000110.9M1 K8 C9 L139M1-D5 PolarHBondContact O-N 3.32Å; D5-K8 PolarHBondContact O-N 3.12Å; D5-C9 WeakPolarHBondContact O-CB 3.44Å; D5-C9 PolarHBondContact O-N 2.83Å; D5-C9 PolarHBondContact O-SG 3.15Å; D5-L139 HydrophobicContact CB-CD1 3.83Å
6H86.8Confident87.4Confident113 Ų11390.2 Ų90.252%0.52343%0.427SS..Hα-helixtrans-63.4-47.6176.6-172.9-82000112.9Y2 K3 M4 K8 C9 E10Y2-H6 WeakPolarHBondContact O-CB 3.16Å; Y2-H6 PolarHBondContact O-N 3.2Å; K3-H6 PolarHBondContact O-N 2.82Å; M4-H6 VanDerWaalsContact C-N 3.33Å; M4-H6 PolarHBondContact O-N 3.32Å; H6-K8 VanDerWaalsContact C-N 3.31Å; H6-K8 PolarHBondContact O-N 2.84Å; H6-C9 PolarHBondContact O-N 3.15Å; H6-E10 IonicContact CE1-OE1 3.81Å; H6-E10 PolarHBondContact CE1-OE1 2.7Å; H6-E10 IonicContact ND1-OE1 3.21Å; H6-E10 PolarHBondContact O-N 3.34Å
7E91Very high88Confident94 Ų9491 Ų9144%0.43943%0.428SS..Hα-helixtrans-61.8-40177.1-73174.3-178.700111.5K3 M4 E10 S11K3-E7 WeakPolarHBondContact CE-OE1 3.45Å; K3-E7 IonicContact NZ-OE1 3.6Å; K3-E7 WeakPolarHBondContact O-CG 3.18Å; K3-E7 PolarHBondContact O-N 2.68Å; K3-E7 VanDerWaalsContact O-N 3.07Å; M4-E7 PolarHBondContact O-N 2.79Å; E7-E10 PolarHBondContact O-N 2.86Å; E7-S11 PolarHBondContact O-N 2.7Å
8K91.8Very high88.6Confident88 Ų8886.4 Ų86.438%0.38341%0.407SS..Hα-helixtrans-63.7-47.9174.6-177.4175.2170.8-171.50111.6M4 D5 H6 E10 S11 I12 D136 L139M4-K8 WeakPolarHBondContact O-CB 3.41Å; M4-K8 PolarHBondContact O-N 3.12Å; D5-K8 PolarHBondContact O-N 3.12Å; H6-K8 VanDerWaalsContact C-N 3.31Å; H6-K8 PolarHBondContact O-N 2.84Å; K8-E10 VanDerWaalsContact C-N 3.33Å; K8-E10 PolarHBondContact O-N 2.9Å; K8-S11 PolarHBondContact O-N 3.49Å; K8-I12 HydrophobicContact CD-CD1 4.47Å; K8-I12 HydrophobicContact CG-CD1 3.84Å; K8-I12 HydrophobicContact CG-CG1 4.44Å; K8-I12 WeakPolarHBondContact O-CG1 3.34Å; K8-I12 PolarHBondContact O-N 2.82Å; K8-D136 WeakPolarHBondContact CE-OD2 3.45Å; K8-D136 IonicContact NZ-OD2 3.01Å; K8-D136 PolarHBondContact NZ-OD2 2.86Å; K8-L139 HydrophobicContact CB-CD2 4.38Å; K8-L139 HydrophobicContact CD-CD2 3.72Å; K8-L139 HydrophobicContact CG-CD2 3.91Å
9C94.5Very high89.1Confident21 Ų2183.9 Ų83.914%0.14240%0.396CS..Hα-helixtrans-58-44.9176.9-72.60000111.9D5 H6 S11 I12 L13 L139 L140D5-C9 WeakPolarHBondContact O-CB 3.44Å; D5-C9 PolarHBondContact O-N 2.83Å; D5-C9 PolarHBondContact O-SG 3.15Å; H6-C9 PolarHBondContact O-N 3.15Å; C9-S11 PolarHBondContact O-N 2.86Å; C9-I12 PolarHBondContact O-N 2.94Å; C9-L13 VanDerWaalsContact O-CB 3.27Å; C9-L13 WeakPolarHBondContact O-CB 3.28Å; C9-L13 PolarHBondContact O-N 2.81Å; C9-L139 WeakPolarHBondContact SG-CD1 3.31Å; C9-L139 VanDerWaalsContact SG-CG 3.55Å; C9-L140 PolarHBondContact SG-O 3.23Å
10E93.4Very high89.6Confident83 Ų8383.7 Ų83.739%0.38839%0.392SS..Hα-helixtrans-62-41.7176.8-78.4-163-172.200112.7H6 E7 K8 L13 K14H6-E10 IonicContact CE1-OE1 3.81Å; H6-E10 PolarHBondContact CE1-OE1 2.7Å; H6-E10 IonicContact ND1-OE1 3.21Å; H6-E10 PolarHBondContact O-N 3.34Å; E7-E10 PolarHBondContact O-N 2.86Å; K8-E10 VanDerWaalsContact C-N 3.33Å; K8-E10 PolarHBondContact O-N 2.9Å; E10-L13 PolarHBondContact O-N 2.72Å; E10-K14 WeakPolarHBondContact O-CB 3.5Å; E10-K14 WeakPolarHBondContact O-CD 3.4Å; E10-K14 VanDerWaalsContact O-CG 3.24Å; E10-K14 WeakPolarHBondContact O-CG 3.41Å; E10-K14 PolarHBondContact O-N 2.83Å; E10-K14 IonicContact OE2-NZ 2.72Å; E10-K14 PolarHBondContact OE2-NZ 3.32Å
11S95.9Very high90Very high51 Ų5181.1 Ų81.136%0.35738%0.38SS..Hα-helixtrans-64.3-47179-1520000111E7 K8 C9 L13 K14 G15 E70E7-S11 PolarHBondContact O-N 2.7Å; K8-S11 PolarHBondContact O-N 3.49Å; C9-S11 PolarHBondContact O-N 2.86Å; S11-L13 PolarHBondContact O-N 3.23Å; S11-K14 PolarHBondContact O-N 3.44Å; S11-G15 PolarHBondContact O-N 2.98Å; S11-E70 PolarHBondContact OG-OE1 3.49Å
12I96.8Very high91.9Very high3 Ų372.5 Ų72.52%0.01534%0.338CS..Hα-helixtrans-59.6-50.6176.5-64.3165.7000109.6K8 C9 K14 G15 F16 E70 L72 L139 V141K8-I12 HydrophobicContact CD-CD1 4.47Å; K8-I12 HydrophobicContact CG-CD1 3.84Å; K8-I12 HydrophobicContact CG-CG1 4.44Å; K8-I12 WeakPolarHBondContact O-CG1 3.34Å; K8-I12 PolarHBondContact O-N 2.82Å; C9-I12 PolarHBondContact O-N 2.94Å; I12-K14 PolarHBondContact O-N 3Å; I12-G15 CarbonylContact O-C 3.57Å; I12-G15 WeakPolarHBondContact O-CA 3.33Å; I12-G15 PolarHBondContact O-N 3.05Å; I12-F16 HydrophobicContact CG2-CB 4.47Å; I12-F16 WeakPolarHBondContact O-CB 3.46Å; I12-F16 PolarHBondContact O-N 2.89Å; I12-E70 HydrophobicContact CG1-CB 3.94Å; I12-E70 HydrophobicContact CG1-CG 4.05Å; I12-L72 HydrophobicContact CD1-CD2 3.61Å; I12-L72 HydrophobicContact CG1-CD2 3.86Å; I12-L72 HydrophobicContact CG2-CD2 3.79Å; I12-L139 HydrophobicContact CD1-CD2 4.38Å; I12-V141 HydrophobicContact CB-CG1 3.86Å; I12-V141 HydrophobicContact CD1-CG2 3.92Å; I12-V141 HydrophobicContact CG2-CB 4.47Å; I12-V141 HydrophobicContact CG2-CG1 3.43Å; I12-V141 VanDerWaalsContact CG2-CG1 3.43Å; I12-V141 HydrophobicContact CG2-CG2 4.21Å
13L95.3Very high93.3Very high59 Ų5963.4 Ų63.431%0.30930%0.303SS..Hα-helixtrans-60.5-42-178.1-17860000112.4C9 E10 S11 G15 F16 P42C9-L13 VanDerWaalsContact O-CB 3.27Å; C9-L13 WeakPolarHBondContact O-CB 3.28Å; C9-L13 PolarHBondContact O-N 2.81Å; E10-L13 PolarHBondContact O-N 2.72Å; S11-L13 PolarHBondContact O-N 3.23Å; L13-G15 PolarHBondContact O-N 2.94Å; L13-F16 PolarHBondContact O-N 3.42Å; L13-P42 HydrophobicContact CD1-CG 4.43Å; L13-P42 HydrophobicContact CD2-CG 4.06Å
14K96.3Very high94.5Very high152 Ų15259.5 Ų59.566%0.66128%0.284SS*.Hα-helixtrans-67.1-21.9175.4-73.1166.9-176.2157.20113E10 S11 I12E10-K14 WeakPolarHBondContact O-CB 3.5Å; E10-K14 WeakPolarHBondContact O-CD 3.4Å; E10-K14 VanDerWaalsContact O-CG 3.24Å; E10-K14 WeakPolarHBondContact O-CG 3.41Å; E10-K14 PolarHBondContact O-N 2.83Å; E10-K14 IonicContact OE2-NZ 2.72Å; E10-K14 PolarHBondContact OE2-NZ 3.32Å; S11-K14 PolarHBondContact O-N 3.44Å; I12-K14 PolarHBondContact O-N 3Å
15G97.4Very high95.6Very high10 Ų1054.6 Ų54.610%0.10326%0.261CS..Hα-helixtrans-103.3-6.4-178.300000115.2S11 I12 L13 S68 K69S11-G15 PolarHBondContact O-N 2.98Å; I12-G15 CarbonylContact O-C 3.57Å; I12-G15 WeakPolarHBondContact O-CA 3.33Å; I12-G15 PolarHBondContact O-N 3.05Å; L13-G15 PolarHBondContact O-N 2.94Å; G15-S68 CarbonylContact O-C 3.53Å; G15-S68 WeakPolarHBondContact O-CA 3.42Å; G15-K69 PolarHBondContact O-N 2.82Å
16F98.3Very high96Very high15 Ų1553.3 Ų53.37%0.06626%0.259CS..EExtended strand (participates in β ladder)trans-103.6141.7-175.4-174-90.9000110.9I12 L13 L18 F66 S67 F75 F134I12-F16 HydrophobicContact CG2-CB 4.47Å; I12-F16 WeakPolarHBondContact O-CB 3.46Å; I12-F16 PolarHBondContact O-N 2.89Å; L13-F16 PolarHBondContact O-N 3.42Å; F16-L18 HydrophobicContact CE1-CD2 3.78Å; F16-L18 HydrophobicContact CE1-CG 4.22Å; F16-L18 HydrophobicContact CZ-CD2 3.85Å; F16-F66 HydrophobicContact CD2-CD2 4.29Å; F16-F66 HydrophobicContact CE2-CB 4.23Å; F16-F66 AromaticContact CE2-CD2 3.44Å; F16-F66 HydrophobicContact CE2-CD2 3.44Å; F16-F66 VanDerWaalsContact CE2-CD2 3.44Å; F16-F66 HydrophobicContact CE2-CE2 4.02Å; F16-F66 HydrophobicContact CE2-CG 4.04Å; F16-F66 HydrophobicContact CZ-CB 3.98Å; F16-F66 AromaticContact CZ-CD2 3.99Å; F16-F66 HydrophobicContact CZ-CD2 3.99Å; F16-F66 HydrophobicContact CZ-CG 4.11Å; F16-S67 WeakPolarHBondContact CA-O 3.29Å; F16-F75 AromaticContact CE2-CE1 3.99Å; F16-F75 HydrophobicContact CE2-CE1 3.99Å; F16-F75 HydrophobicContact CE2-CE2 4.08Å; F16-F75 AromaticContact CE2-CZ 3.53Å; F16-F75 HydrophobicContact CE2-CZ 3.53Å; F16-F75 HydrophobicContact CZ-CE1 4.16Å; F16-F75 HydrophobicContact CZ-CE2 4.29Å; F16-F75 AromaticContact CZ-CZ 3.52Å; F16-F75 HydrophobicContact CZ-CZ 3.52Å; F16-F134 HydrophobicContact CE1-CD1 4.48Å; F16-F134 HydrophobicContact CE1-CE1 4.28Å; F16-F134 HydrophobicContact CZ-CD1 4.44Å; F16-F134 HydrophobicContact CZ-CE1 4.36Å
17K98Very high96.4Very high104 Ų10453 Ų5345%0.45226%0.261SS..EExtended strand (participates in β ladder)trans-153.2136.8176.7172.5169.5-176.2-176.50111.1D38 F66 S67K17-D38 HydrophobicContact CG-CB 4.46Å; K17-F66 CarbonylContact O-C 3.59Å; K17-F66 WeakPolarHBondContact O-CA 3.46Å; K17-F66 WeakPolarHBondContact O-CB 3.47Å; K17-S67 PolarHBondContact N-O 3.27Å; K17-S67 PolarHBondContact O-N 3.26Å
18L98.3Very high96.6Very high9 Ų951.9 Ų51.95%0.04726%0.264CS..EExtended strand (participates in β ladder)trans-81.2122.1159.8-58-175.4000109.1F16 D38 F39 I64 F66 F134F16-L18 HydrophobicContact CE1-CD2 3.78Å; F16-L18 HydrophobicContact CE1-CG 4.22Å; F16-L18 HydrophobicContact CZ-CD2 3.85Å; L18-D38 WeakPolarHBondContact CB-OD1 3.33Å; L18-D38 PolarHBondContact N-OD1 2.84Å; L18-F39 HydrophobicContact CD1-CB 3.96Å; L18-I64 HydrophobicContact CD2-CG2 3.61Å; L18-F66 HydrophobicContact CD2-CB 3.67Å; L18-F134 HydrophobicContact CD1-CZ 4.44Å
19N98.6Very high96.8Very high38 Ų3849.6 Ų49.620%0.20327%0.266CS..EExtended strand (participates in β ladder)trans-87.1-41.9-177.5-61.2-42.4000111.6N65 S67N19-N65 HydrophobicContact CB-CB 4.44Å; N19-N65 WeakPolarHBondContact CB-OD1 3.46Å; N19-N65 PolarHBondContact N-O 2.98Å; N19-N65 PolarHBondContact ND2-OD1 3Å; N19-S67 PolarHBondContact ND2-N 2.78Å; N19-S67 PolarHBondContact ND2-OG 3.07Å
20W98.6Very high97Very high80 Ų8054.7 Ų54.730%0.30329%0.285SS..EExtended strand (participates in β ladder)trans-162.4161.9174.853.1-99.9000110.8N22 S35 T36 E63 N65 T105W20-N22 WeakPolarHBondContact CZ3-ND2 3.29Å; W20-S35 CarbonylContact C-O 3.55Å; W20-S35 VanDerWaalsContact CA-O 3.23Å; W20-S35 WeakPolarHBondContact CA-O 3.3Å; W20-S35 WeakPolarHBondContact CB-O 3.32Å; W20-T36 HydrophobicContact CB-CG2 4.3Å; W20-E63 HydrophobicContact CH2-CG 3.81Å; W20-E63 WeakPolarHBondContact CH2-OE1 3.44Å; W20-E63 HydrophobicContact CZ3-CB 4.17Å; W20-E63 HydrophobicContact CZ3-CG 3.7Å; W20-E63 VanDerWaalsContact CZ3-OE1 3.29Å; W20-E63 WeakPolarHBondContact CZ3-OE1 3.46Å; W20-N65 HydrophobicContact CD2-CB 3.4Å; W20-N65 HydrophobicContact CE3-CB 3.9Å; W20-N65 HydrophobicContact CG-CB 3.9Å; W20-N65 HydrophobicContact CH2-CB 3.78Å; W20-N65 HydrophobicContact CZ2-CB 3.3Å; W20-N65 HydrophobicContact CZ3-CB 4.06Å; W20-N65 PolarHBondContact N-O 3.03Å; W20-N65 VanDerWaalsContact NE1-CB 3.29Å; W20-N65 PolarHBondContact O-N 2.81Å; W20-T105 HydrophobicContact CH2-CG2 4.06Å
21M98.4Very high97.2Very high30 Ų3053.9 Ų53.915%0.14828%0.283CS..EExtended strand (participates in β ladder)trans-140.7142172.7-177.5167.559.500110W33 Q34 S35 F39 R62 E63 I64M21-W33 HydrophobicContact CB-CZ3 4.2Å; M21-W33 HydrophobicContact CE-CH2 3.64Å; M21-W33 HydrophobicContact CE-CZ3 3.56Å; M21-W33 HydrophobicContact CG-CZ3 4.06Å; M21-Q34 CarbonylContact O-C 3.56Å; M21-Q34 VanDerWaalsContact O-CA 3.24Å; M21-Q34 WeakPolarHBondContact O-CA 3.39Å; M21-S35 PolarHBondContact N-O 3.4Å; M21-S35 PolarHBondContact O-N 2.88Å; M21-F39 HydrophobicContact CE-CD2 3.68Å; M21-F39 HydrophobicContact CE-CE2 3.83Å; M21-R62 HydrophobicContact CG-CG 4.23Å; M21-R62 HydrophobicContact SD-CG 4.14Å; M21-E63 CarbonylContact C-O 3.53Å; M21-E63 VanDerWaalsContact CA-O 3.27Å; M21-E63 WeakPolarHBondContact CA-O 3.35Å; M21-I64 HydrophobicContact CG-CG1 3.96Å; M21-I64 HydrophobicContact SD-CD1 4.27Å; M21-I64 HydrophobicContact SD-CG1 3.88Å
22N98.4Very high97.3Very high10 Ų1052.3 Ų52.35%0.05327%0.27CS..EExtended strand (participates in β ladder)trans-129.7152.2168.87270.8000111.9W20 R24 W33 Q34 R62 E63W20-N22 WeakPolarHBondContact CZ3-ND2 3.29Å; N22-R24 PolarHBondContact OD1-NE 3.5Å; N22-W33 WeakPolarHBondContact CA-O 3.34Å; N22-Q34 HydrophobicContact CB-CB 4.04Å; N22-R62 WeakPolarHBondContact O-CA 3.4Å; N22-E63 PolarHBondContact N-O 2.93Å; N22-E63 PolarHBondContact ND2-OE1 3.48Å; N22-E63 PolarHBondContact O-N 2.81Å
23L98.4Very high97.4Very high21 Ų2153.6 Ų53.611%0.1128%0.275CS..EExtended strand (participates in β ladder)trans-123.6127.1175.5-60.1175000108.8L32 W33 V50 I54 V60 S61 R62L23-L32 PolarHBondContact O-N 3.37Å; L23-W33 HydrophobicContact CB-CB 4.37Å; L23-W33 HydrophobicContact CB-CE3 4.39Å; L23-W33 HydrophobicContact CD1-CD2 4.38Å; L23-W33 HydrophobicContact CD1-CE3 3.78Å; L23-W33 HydrophobicContact CD1-CZ3 4.34Å; L23-W33 HydrophobicContact CG-CE3 3.77Å; L23-W33 HydrophobicContact CG-CZ3 4.31Å; L23-W33 PolarHBondContact N-O 2.85Å; L23-W33 PolarHBondContact O-N 2.79Å; L23-V50 HydrophobicContact CD1-CG1 4.32Å; L23-I54 HydrophobicContact CB-CD1 3.89Å; L23-I54 HydrophobicContact CD1-CD1 3.56Å; L23-I54 HydrophobicContact CG-CD1 4.32Å; L23-V60 HydrophobicContact CB-CG1 4.01Å; L23-V60 HydrophobicContact CD2-CG1 3.98Å; L23-V60 HydrophobicContact CG-CG1 4.47Å; L23-S61 WeakPolarHBondContact CA-O 3.11Å; L23-R62 HydrophobicContact CD2-CB 3.77Å; L23-R62 HydrophobicContact CD2-CG 3.77Å
24R98Very high97.5Very high70 Ų7057.1 Ų57.126%0.26429%0.29SS..EExtended strand (participates in β ladder)trans-121148.6-179.3-63.6167.5-169.4-98.83.1110.2N22 A26 G29 K30 I31 V60 S61N22-R24 PolarHBondContact OD1-NE 3.5Å; R24-A26 PolarHBondContact O-N 2.96Å; R24-G29 PolarHBondContact NH1-O 3.49Å; R24-K30 VanDerWaalsContact CA-O 3.22Å; R24-K30 WeakPolarHBondContact CA-O 3.19Å; R24-I31 HydrophobicContact CG-CB 4.44Å; R24-I31 HydrophobicContact CG-CG1 3.93Å; R24-V60 CarbonylContact O-C 3.54Å; R24-V60 WeakPolarHBondContact O-CA 3.41Å; R24-S61 PolarHBondContact N-O 3.4Å; R24-S61 PolarHBondContact O-N 2.95Å
25D97.1Very high97.6Very high32 Ų3250.7 Ų50.717%0.17126%0.264CS..EExtended strand (participates in β ladder)trans-66.3118.3158.5176.811.5000108.1D27 S28 G29 K30 L32 C57D25-D27 VanDerWaalsContact C-N 3.27Å; D25-D27 PolarHBondContact O-N 2.87Å; D25-D27 PolarHBondContact OD1-N 3.45Å; D25-S28 WeakPolarHBondContact CB-OG 3.17Å; D25-S28 VanDerWaalsContact CG-OG 3.25Å; D25-S28 PolarHBondContact O-N 3.21Å; D25-S28 WeakPolarHBondContact OD2-CB 3.34Å; D25-S28 PolarHBondContact OD2-OG 3.03Å; D25-G29 VanDerWaalsContact O-CA 3.3Å; D25-G29 WeakPolarHBondContact O-CA 3.24Å; D25-G29 PolarHBondContact O-N 3.48Å; D25-K30 PolarHBondContact N-O 3.07Å; D25-L32 HydrophobicContact CB-CD1 4.1Å; D25-L32 HydrophobicContact CB-CG 4.36Å; D25-C57 VanDerWaalsContact CB-SG 3.6Å
26A95.7Very high97.6Very high37 Ų3755.5 Ų55.531%0.30629%0.291SS..THydrogen-bonded Turntrans-70.1-26.7-173.100000112.6R24 S59 L109R24-A26 PolarHBondContact O-N 2.96Å; A26-S59 WeakPolarHBondContact CB-OG 3.43Å; A26-S59 PolarHBondContact N-O 3.47Å; A26-S59 VanDerWaalsContact N-O 3.09Å; A26-L109 HydrophobicContact CB-CD1 3.59Å
27D94.6Very high97.6Very high105 Ų10558.9 Ų58.956%0.56131%0.31SS*.THydrogen-bonded Turntrans-73.4-40.7179.8-72.9-7.8000111.2D25D25-D27 VanDerWaalsContact C-N 3.27Å; D25-D27 PolarHBondContact O-N 2.87Å; D25-D27 PolarHBondContact OD1-N 3.45Å
28S95.8Very high97.6Very high72 Ų7255.5 Ų55.550%0.50330%0.297SS..THydrogen-bonded Turntrans-100.2-12.6-176.267.10000114.5D25 K30D25-S28 WeakPolarHBondContact CB-OG 3.17Å; D25-S28 VanDerWaalsContact CG-OG 3.25Å; D25-S28 PolarHBondContact O-N 3.21Å; D25-S28 WeakPolarHBondContact OD2-CB 3.34Å; D25-S28 PolarHBondContact OD2-OG 3.03Å; S28-K30 PolarHBondContact O-N 3.43Å; S28-K30 VanDerWaalsContact O-N 3.16Å; S28-K30 WeakPolarHBondContact OG-CB 3.41Å
29G95.6Very high97.6Very high40 Ų4055.5 Ų55.541%0.41230%0.297SS..  trans69.90.1-173.600000114.7R24 D25 I31R24-G29 PolarHBondContact NH1-O 3.49Å; D25-G29 VanDerWaalsContact O-CA 3.3Å; D25-G29 WeakPolarHBondContact O-CA 3.24Å; D25-G29 PolarHBondContact O-N 3.48Å; G29-I31 PolarHBondContact O-N 2.99Å
30K97.4Very high97.5Very high128 Ų12853.8 Ų53.856%0.55729%0.288SS*.  trans-69.9125.9-174.9-177.7177-176.9171.80111R24 D25 S28 L32R24-K30 VanDerWaalsContact CA-O 3.22Å; R24-K30 WeakPolarHBondContact CA-O 3.19Å; D25-K30 PolarHBondContact N-O 3.07Å; S28-K30 PolarHBondContact O-N 3.43Å; S28-K30 VanDerWaalsContact O-N 3.16Å; S28-K30 WeakPolarHBondContact OG-CB 3.41Å; K30-L32 HydrophobicContact CD-CD2 4.35Å; K30-L32 HydrophobicContact CG-CD2 4.29Å; K30-L32 PolarHBondContact O-N 3.41Å
31I97.9Very high97.4Very high66 Ų6653.2 Ų53.234%0.33829%0.29SS..EExtended strand (participates in β ladder)trans-63.6121.7169.7-56.3176.2000109.1R24 G29 Q34R24-I31 HydrophobicContact CG-CB 4.44Å; R24-I31 HydrophobicContact CG-CG1 3.93Å; G29-I31 PolarHBondContact O-N 2.99Å; I31-Q34 HydrophobicContact CG2-CB 4.49Å
32L98.1Very high97.3Very high17 Ų1754 Ų549%0.08930%0.297CS..EExtended strand (participates in β ladder)trans-98.9-33.3176-58.3-175.5000111.5L23 D25 K30 P51 K53 I54 C57L23-L32 PolarHBondContact O-N 3.37Å; D25-L32 HydrophobicContact CB-CD1 4.1Å; D25-L32 HydrophobicContact CB-CG 4.36Å; K30-L32 HydrophobicContact CD-CD2 4.35Å; K30-L32 HydrophobicContact CG-CD2 4.29Å; K30-L32 PolarHBondContact O-N 3.41Å; L32-P51 WeakPolarHBondContact O-CD 3.47Å; L32-P51 VanDerWaalsContact O-CG 3.27Å; L32-P51 WeakPolarHBondContact O-CG 3.15Å; L32-K53 HydrophobicContact CD2-CD 3.8Å; L32-K53 HydrophobicContact CD2-CG 4.32Å; L32-I54 HydrophobicContact CD1-CB 4.13Å; L32-I54 HydrophobicContact CD1-CG1 4.04Å; L32-C57 WeakPolarHBondContact CD1-SG 3.37Å
33W98.5Very high97Very high30 Ų3062.1 Ų62.111%0.11434%0.335CS..EExtended strand (participates in β ladder)trans-153.3151.2-179.2178.386.8000110.6M21 N22 L23 S35 F39 A48 H49 V50M21-W33 HydrophobicContact CB-CZ3 4.2Å; M21-W33 HydrophobicContact CE-CH2 3.64Å; M21-W33 HydrophobicContact CE-CZ3 3.56Å; M21-W33 HydrophobicContact CG-CZ3 4.06Å; N22-W33 WeakPolarHBondContact CA-O 3.34Å; L23-W33 HydrophobicContact CB-CB 4.37Å; L23-W33 HydrophobicContact CB-CE3 4.39Å; L23-W33 HydrophobicContact CD1-CD2 4.38Å; L23-W33 HydrophobicContact CD1-CE3 3.78Å; L23-W33 HydrophobicContact CD1-CZ3 4.34Å; L23-W33 HydrophobicContact CG-CE3 3.77Å; L23-W33 HydrophobicContact CG-CZ3 4.31Å; L23-W33 PolarHBondContact N-O 2.85Å; L23-W33 PolarHBondContact O-N 2.79Å; W33-S35 VanDerWaalsContact CH2-CB 3.46Å; W33-S35 VanDerWaalsContact CZ2-CB 3.4Å; W33-F39 AromaticContact CH2-CE2 3.65Å; W33-F39 HydrophobicContact CH2-CE2 3.65Å; W33-F39 AromaticContact CH2-CZ 3.82Å; W33-F39 HydrophobicContact CH2-CZ 3.82Å; W33-F39 HydrophobicContact CZ2-CE2 4.31Å; W33-F39 HydrophobicContact CZ2-CZ 4.04Å; W33-A48 HydrophobicContact CZ2-CB 3.98Å; W33-H49 PolarHBondContact NE1-O 2.77Å; W33-H49 VanDerWaalsContact NE1-O 3.12Å; W33-V50 HydrophobicContact CD2-CG1 4.07Å; W33-V50 HydrophobicContact CG-CB 4.48Å; W33-V50 HydrophobicContact CG-CG1 3.96Å
34Q98.3Very high96.9Very high133 Ų13365.4 Ų65.462%0.62135%0.352SS*.EExtended strand (participates in β ladder)trans-151.1152.2172.665.6-17641.200110M21 N22 I31M21-Q34 CarbonylContact O-C 3.56Å; M21-Q34 VanDerWaalsContact O-CA 3.24Å; M21-Q34 WeakPolarHBondContact O-CA 3.39Å; N22-Q34 HydrophobicContact CB-CB 4.04Å; I31-Q34 HydrophobicContact CG2-CB 4.49Å
35S98.3Very high97Very high18 Ų1866 Ų6613%0.12636%0.357CS..EExtended strand (participates in β ladder)trans-149.2155.8171.1176.90000110.8W20 M21 W33 D37W20-S35 CarbonylContact C-O 3.55Å; W20-S35 VanDerWaalsContact CA-O 3.23Å; W20-S35 WeakPolarHBondContact CA-O 3.3Å; W20-S35 WeakPolarHBondContact CB-O 3.32Å; M21-S35 PolarHBondContact N-O 3.4Å; M21-S35 PolarHBondContact O-N 2.88Å; W33-S35 VanDerWaalsContact CH2-CB 3.46Å; W33-S35 VanDerWaalsContact CZ2-CB 3.4Å; S35-D37 WeakPolarHBondContact OG-CB 3.32Å; S35-D37 PolarHBondContact OG-N 2.97Å; S35-D37 PolarHBondContact OG-OD2 3.48Å
36T98.3Very high97Very high110 Ų11065.2 Ų65.268%0.67535%0.353SS*.  trans-107.39.4170.756.80000112.1W20W20-T36 HydrophobicContact CB-CG2 4.3Å
37D97.9Very high97.2Very high87 Ų8769.3 Ų69.347%0.46536%0.364SS..  trans-70.6142.9177-57.2-39.8000110.3S35 F39S35-D37 WeakPolarHBondContact OG-CB 3.32Å; S35-D37 PolarHBondContact OG-N 2.97Å; S35-D37 PolarHBondContact OG-OD2 3.48Å; D37-F39 HydrophobicContact CB-CE1 4.01Å; D37-F39 HydrophobicContact CB-CE2 3.94Å; D37-F39 HydrophobicContact CB-CZ 3.68Å; D37-F39 WeakPolarHBondContact O-CD2 3.49Å; D37-F39 PolarHBondContact O-N 3.37Å
38D97.9Very high97.3Very high33 Ų3364.5 Ų64.518%0.17634%0.339CS..  trans-85.388.5176.4-175.24.8000111K17 L18 S40 I41 H46K17-D38 HydrophobicContact CG-CB 4.46Å; L18-D38 WeakPolarHBondContact CB-OD1 3.33Å; L18-D38 PolarHBondContact N-OD1 2.84Å; D38-S40 PolarHBondContact O-N 3.01Å; D38-S40 VanDerWaalsContact O-N 3.13Å; D38-S40 WeakPolarHBondContact OD1-CB 3.28Å; D38-S40 PolarHBondContact OD1-N 3.47Å; D38-S40 VanDerWaalsContact OD1-N 3.12Å; D38-S40 PolarHBondContact OD1-OG 3.14Å; D38-I41 HydrophobicContact CB-CD1 4.29Å; D38-I41 HydrophobicContact CB-CG1 4.45Å; D38-H46 PolarHBondContact O-CE1 3.45Å
39F97.9Very high97.4Very high8 Ų865.8 Ų65.84%0.03534%0.336CS..THydrogen-bonded Turntrans-72.65.1179.5-59.6-70.5000114.5L18 M21 W33 D37 H46 S144 V146L18-F39 HydrophobicContact CD1-CB 3.96Å; M21-F39 HydrophobicContact CE-CD2 3.68Å; M21-F39 HydrophobicContact CE-CE2 3.83Å; W33-F39 AromaticContact CH2-CE2 3.65Å; W33-F39 HydrophobicContact CH2-CE2 3.65Å; W33-F39 AromaticContact CH2-CZ 3.82Å; W33-F39 HydrophobicContact CH2-CZ 3.82Å; W33-F39 HydrophobicContact CZ2-CE2 4.31Å; W33-F39 HydrophobicContact CZ2-CZ 4.04Å; D37-F39 HydrophobicContact CB-CE1 4.01Å; D37-F39 HydrophobicContact CB-CE2 3.94Å; D37-F39 HydrophobicContact CB-CZ 3.68Å; D37-F39 WeakPolarHBondContact O-CD2 3.49Å; D37-F39 PolarHBondContact O-N 3.37Å; F39-H46 HydrophobicContact CD1-CB 3.57Å; F39-H46 AromaticContact CD1-CG 3.79Å; F39-H46 HydrophobicContact CE1-CB 3.97Å; F39-S144 WeakPolarHBondContact O-CB 3.32Å; F39-S144 PolarHBondContact O-OG 2.88Å; F39-V146 HydrophobicContact CB-CG2 4.04Å; F39-V146 HydrophobicContact CD1-CG1 4.07Å; F39-V146 HydrophobicContact CD1-CG2 3.88Å; F39-V146 HydrophobicContact CE1-CG1 4.18Å; F39-V146 HydrophobicContact CG-CG2 4.23Å
40S96.7Very high97.5Very high2 Ų264.1 Ų64.11%0.01432%0.318CS..THydrogen-bonded Turntrans-85.9-12.5177.466.70000114.4D38 P42D38-S40 PolarHBondContact O-N 3.01Å; D38-S40 VanDerWaalsContact O-N 3.13Å; D38-S40 WeakPolarHBondContact OD1-CB 3.28Å; D38-S40 PolarHBondContact OD1-N 3.47Å; D38-S40 VanDerWaalsContact OD1-N 3.12Å; D38-S40 PolarHBondContact OD1-OG 3.14Å; S40-P42 WeakPolarHBondContact O-CD 3.34Å
41I97.1Very high97.5Very high69 Ų6959.6 Ų59.635%0.35430%0.302SS..  trans-67121.7-175.5-56.5171.9000110.4D38 I44 H46D38-I41 HydrophobicContact CB-CD1 4.29Å; D38-I41 HydrophobicContact CB-CG1 4.45Å; I41-I44 HydrophobicContact CB-CD1 4.46Å; I41-I44 HydrophobicContact CB-CG1 4.27Å; I41-I44 HydrophobicContact CG2-CD1 4.34Å; I41-I44 HydrophobicContact CG2-CG1 4.04Å; I41-H46 PolarHBondContact O-NE2 3.18Å
42P94.9Very high97.3Very high46 Ų4663.2 Ų63.230%0.29931%0.311SS..THydrogen-bonded Turntrans-81.7-24.7-170.829.8-35.5000115.4L13 S40 I44 K143L13-P42 HydrophobicContact CD1-CG 4.43Å; L13-P42 HydrophobicContact CD2-CG 4.06Å; S40-P42 WeakPolarHBondContact O-CD 3.34Å; P42-I44 VanDerWaalsContact C-N 3.3Å; P42-I44 PolarHBondContact O-N 2.96Å; P42-K143 WeakPolarHBondContact CA-O 3.4Å; P42-K143 WeakPolarHBondContact CB-O 3.33Å
43E93.4Very high97.1Very high180 Ų18066.6 Ų66.684%0.84133%0.325SS*.THydrogen-bonded Turntrans-82-6.9-170.7-63.5-179.1175.600114.1
44I96.5Very high96.9Very high90 Ų9065.9 Ų65.946%0.46232%0.323SS..SBendtrans-126150.8-177.764.3174.3000111.2I41 P42 H46I41-I44 HydrophobicContact CB-CD1 4.46Å; I41-I44 HydrophobicContact CB-CG1 4.27Å; I41-I44 HydrophobicContact CG2-CD1 4.34Å; I41-I44 HydrophobicContact CG2-CG1 4.04Å; P42-I44 VanDerWaalsContact C-N 3.3Å; P42-I44 PolarHBondContact O-N 2.96Å; I44-H46 VanDerWaalsContact CD1-CE1 3.43Å; I44-H46 WeakPolarHBondContact CD1-CE1 3.35Å
45E98.3Very high96.6Very high82 Ų8261.6 Ų61.638%0.38331%0.305SS..EExtended strand (participates in β ladder)trans-90.1109.1165.1-171.6-176.793.200109K145 R147E45-K145 HydrophobicContact CG-CB 4.34Å; E45-R147 VanDerWaalsContact CD-NH2 3.28Å; E45-R147 HydrophobicContact CG-CB 4.28Å; E45-R147 IonicContact OE1-CZ 3.32Å; E45-R147 IonicContact OE1-NE 2.68Å; E45-R147 PolarHBondContact OE1-NE 2.86Å; E45-R147 IonicContact OE1-NH2 3.12Å; E45-R147 PolarHBondContact OE1-NH2 3.09Å; E45-R147 VanDerWaalsContact OE1-NH2 3.12Å; E45-R147 IonicContact OE2-CZ 3.63Å; E45-R147 IonicContact OE2-NE 3.75Å; E45-R147 IonicContact OE2-NH2 2.75Å; E45-R147 PolarHBondContact OE2-NH2 3.31Å
46H98.5Very high96.2Very high17 Ų1769.4 Ų69.48%0.07934%0.336CS..EExtended strand (participates in β ladder)trans-72.2161.4176.4-58.7-88.3000111.1D38 F39 I41 I44 K145 V146 R147D38-H46 PolarHBondContact O-CE1 3.45Å; F39-H46 HydrophobicContact CD1-CB 3.57Å; F39-H46 AromaticContact CD1-CG 3.79Å; F39-H46 HydrophobicContact CE1-CB 3.97Å; I41-H46 PolarHBondContact O-NE2 3.18Å; I44-H46 VanDerWaalsContact CD1-CE1 3.43Å; I44-H46 WeakPolarHBondContact CD1-CE1 3.35Å; H46-K145 PolarHBondContact CD2-O 3.22Å; H46-K145 VanDerWaalsContact CD2-O 3.3Å; H46-K145 PolarHBondContact N-O 2.97Å; H46-V146 HydrophobicContact CB-CB 4.41Å; H46-V146 HydrophobicContact CB-CG1 4.18Å; H46-V146 HydrophobicContact CB-CG2 4.14Å; H46-R147 PolarHBondContact O-N 2.8Å
47K98.4Very high95.9Very high123 Ų12364.6 Ų64.654%0.53531%0.307SS..EExtended strand (participates in β ladder)trans-126.3127.8175.3-61-176.2-178.4175.30110.2R147 F149K47-R147 WeakPolarHBondContact CA-O 3.42Å; K47-F149 HydrophobicContact CB-CD2 4.36Å; K47-F149 HydrophobicContact CB-CE2 4.11Å; K47-F149 HydrophobicContact CD-CE2 3.91Å; K47-F149 HydrophobicContact CD-CZ 4.42Å; K47-F149 HydrophobicContact CG-CE2 3.92Å
48A98.4Very high95.6Very high4 Ų468 Ų683%0.03332%0.318CS..EExtended strand (participates in β ladder)trans-114.3125.1171.400000109.9W33 V50 V146 R147 I148 F149W33-A48 HydrophobicContact CZ2-CB 3.98Å; A48-V50 HydrophobicContact CB-CG1 4.29Å; A48-V146 HydrophobicContact CB-CG1 3.85Å; A48-R147 PolarHBondContact N-O 2.82Å; A48-I148 HydrophobicContact CB-CD1 3.91Å; A48-F149 PolarHBondContact O-N 2.89Å
49H98.2Very high95.5Very high98 Ų9867.1 Ų67.145%0.45431%0.314SS..EExtended strand (participates in β ladder)trans-10194.5175.6-62.284.8000108.7W33 F149 V151W33-H49 PolarHBondContact NE1-O 2.77Å; W33-H49 VanDerWaalsContact NE1-O 3.12Å; H49-F149 CarbonylContact C-O 3.48Å; H49-F149 WeakPolarHBondContact CA-O 3.3Å; H49-V151 HydrophobicContact CB-CG1 4.22Å; H49-V151 HydrophobicContact CB-CG2 4.17Å
50V97.3Very high95.4Very high6 Ų667.3 Ų67.34%0.03632%0.316CS..EExtended strand (participates in β ladder)trans-101.2141-174.4-59.80000110.3L23 W33 A48 R52 I54 I148 F149 Y150 V151L23-V50 HydrophobicContact CD1-CG1 4.32Å; W33-V50 HydrophobicContact CD2-CG1 4.07Å; W33-V50 HydrophobicContact CG-CB 4.48Å; W33-V50 HydrophobicContact CG-CG1 3.96Å; A48-V50 HydrophobicContact CB-CG1 4.29Å; V50-R52 PolarHBondContact O-N 2.86Å; V50-I54 HydrophobicContact CG2-CG2 4.18Å; V50-I148 HydrophobicContact CG2-CG2 3.52Å; V50-F149 PolarHBondContact N-O 2.84Å; V50-Y150 HydrophobicContact CG2-CD1 3.52Å; V50-Y150 HydrophobicContact CG2-CE1 3.61Å; V50-Y150 HydrophobicContact CG2-CG 4.25Å; V50-Y150 CarbonylContact O-C 3.54Å; V50-Y150 VanDerWaalsContact O-CA 3.31Å; V50-Y150 WeakPolarHBondContact O-CA 3.32Å; V50-V151 PolarHBondContact O-N 3.06Å
51P96.8Very high95.4Very high32 Ų3268.7 Ų68.721%0.20833%0.326CS..  trans-65.1136.4179.6-30.341.3000113L32 K53 I54 V151L32-P51 WeakPolarHBondContact O-CD 3.47Å; L32-P51 VanDerWaalsContact O-CG 3.27Å; L32-P51 WeakPolarHBondContact O-CG 3.15Å; P51-K53 HydrophobicContact CB-CD 4.19Å; P51-K53 HydrophobicContact CB-CG 3.67Å; P51-K53 PolarHBondContact O-N 2.87Å; P51-I54 WeakPolarHBondContact O-CB 3.24Å; P51-I54 WeakPolarHBondContact O-CG2 3.38Å; P51-I54 PolarHBondContact O-N 2.59Å; P51-V151 CarbonylContact C-O 3.56Å; P51-V151 VanDerWaalsContact CA-O 3.25Å; P51-V151 WeakPolarHBondContact CA-O 3.4Å
52R94.6Very high95.5Very high142 Ų14265.7 Ų65.754%0.53631%0.31SS..G310 helixtrans-50.7-29.1177.4-71.8172.6-174.9-173.87.6114.7V50 I54 L55 A121 Y150 V151V50-R52 PolarHBondContact O-N 2.86Å; R52-I54 PolarHBondContact O-N 2.99Å; R52-L55 WeakPolarHBondContact O-CB 3.38Å; R52-L55 PolarHBondContact O-N 3.12Å; R52-A121 HydrophobicContact CG-CB 4.28Å; R52-Y150 WeakPolarHBondContact CG-O 3.24Å; R52-Y150 PolarHBondContact NE-O 3.35Å; R52-Y150 VanDerWaalsContact NE-O 3.1Å; R52-V151 WeakPolarHBondContact CG-O 3.46Å; R52-V151 PolarHBondContact N-O 3.1Å
53K93.2Very high95.7Very high88 Ų8864.9 Ų64.938%0.38330%0.302SS..G310 helixtrans-58.2-23176.458.8177.1179.5170.40113.3L32 P51 L55 K56L32-K53 HydrophobicContact CD2-CD 3.8Å; L32-K53 HydrophobicContact CD2-CG 4.32Å; P51-K53 HydrophobicContact CB-CD 4.19Å; P51-K53 HydrophobicContact CB-CG 3.67Å; P51-K53 PolarHBondContact O-N 2.87Å; K53-L55 PolarHBondContact O-N 3.01Å; K53-K56 WeakPolarHBondContact O-CB 3.23Å; K53-K56 PolarHBondContact O-N 2.97Å
54I94.3Very high95.9Very high15 Ų1556.8 Ų56.88%0.07726%0.264CS..G310 helixtrans-61.6-31.9177.4-160.2166.6000112.2L23 L32 V50 P51 R52 K56 C57 V60 Y150L23-I54 HydrophobicContact CB-CD1 3.89Å; L23-I54 HydrophobicContact CD1-CD1 3.56Å; L23-I54 HydrophobicContact CG-CD1 4.32Å; L32-I54 HydrophobicContact CD1-CB 4.13Å; L32-I54 HydrophobicContact CD1-CG1 4.04Å; V50-I54 HydrophobicContact CG2-CG2 4.18Å; P51-I54 WeakPolarHBondContact O-CB 3.24Å; P51-I54 WeakPolarHBondContact O-CG2 3.38Å; P51-I54 PolarHBondContact O-N 2.59Å; R52-I54 PolarHBondContact O-N 2.99Å; I54-K56 PolarHBondContact O-N 3.42Å; I54-C57 WeakPolarHBondContact O-CB 3.27Å; I54-C57 PolarHBondContact O-N 3.33Å; I54-V60 HydrophobicContact CD1-CG1 4.06Å; I54-V60 HydrophobicContact CD1-CG2 4.27Å; I54-V60 HydrophobicContact CG1-CG1 4.34Å; I54-V60 HydrophobicContact CG1-CG2 3.7Å; I54-Y150 HydrophobicContact CG2-CD1 4.04Å; I54-Y150 HydrophobicContact CG2-CE1 3.76Å
55L91.5Very high96Very high44 Ų4453.2 Ų53.223%0.2325%0.246CC..G310 helixtrans-69.8-8.9176.5-63.8170.8000113.2R52 K53 A121 L124 Y150R52-L55 WeakPolarHBondContact O-CB 3.38Å; R52-L55 PolarHBondContact O-N 3.12Å; K53-L55 PolarHBondContact O-N 3.01Å; L55-A121 HydrophobicContact CD1-CB 3.48Å; L55-A121 VanDerWaalsContact CD1-CB 3.48Å; L55-L124 HydrophobicContact CD1-CD1 3.97Å; L55-L124 HydrophobicContact CD2-CD1 3.8Å; L55-Y150 HydrophobicContact CD1-CD1 3.63Å; L55-Y150 HydrophobicContact CD1-CD2 4.46Å; L55-Y150 HydrophobicContact CD1-CE1 3.83Å; L55-Y150 HydrophobicContact CD1-CG 3.97Å; L55-Y150 HydrophobicContact CD2-CD1 4.17Å; L55-Y150 HydrophobicContact CD2-CE1 3.47Å; L55-Y150 VanDerWaalsContact CD2-CE1 3.47Å; L55-Y150 HydrophobicContact CG-CD1 3.75Å; L55-Y150 HydrophobicContact CG-CE1 3.55Å
56K90.6Very high96Very high181 Ų18149.3 Ų49.379%0.78723%0.228SC*.G310 helixtrans-96.4-7.4176.8-58.3-175.7177-174.90112.7K53 I54K53-K56 WeakPolarHBondContact O-CB 3.23Å; K53-K56 PolarHBondContact O-N 2.97Å; I54-K56 PolarHBondContact O-N 3.42Å
57C92.7Very high96Very high10 Ų1049.9 Ų49.97%0.06823%0.234CC..  trans-69.6139.8177.2-67.60000109.6D25 L32 I54 S59 V60 S112D25-C57 VanDerWaalsContact CB-SG 3.6Å; L32-C57 WeakPolarHBondContact CD1-SG 3.37Å; I54-C57 WeakPolarHBondContact O-CB 3.27Å; I54-C57 PolarHBondContact O-N 3.33Å; C57-S59 VanDerWaalsContact C-N 3.27Å; C57-V60 HydrophobicContact CB-CG2 3.95Å; C57-S112 WeakPolarHBondContact O-CB 3.48Å; C57-S112 PolarHBondContact O-OG 3.45Å
58K91.6Very high96Very high158 Ų15844.1 Ų44.169%0.68721%0.209SC*.SBendtrans-68.6-34168.4-65.7-176.6-171.7165.80111.3S112K58-S112 WeakPolarHBondContact O-CB 3.44Å; K58-S112 PolarHBondContact O-N 3.16Å; K58-S112 PolarHBondContact O-OG 3.43Å
59S94.2Very high96Very high14 Ų1450.9 Ų50.910%0.09824%0.238CC..EExtended strand (participates in β ladder)trans-150.2146.8172.258.70000110.2A26 C57 I110A26-S59 WeakPolarHBondContact CB-OG 3.43Å; A26-S59 PolarHBondContact N-O 3.47Å; A26-S59 VanDerWaalsContact N-O 3.09Å; C57-S59 VanDerWaalsContact C-N 3.27Å; S59-I110 CarbonylContact C-O 3.56Å; S59-I110 VanDerWaalsContact CA-O 3.26Å; S59-I110 WeakPolarHBondContact CA-O 3.27Å
60V96.4Very high96Very high13 Ų1349.7 Ų49.78%0.07923%0.233CC..EExtended strand (participates in β ladder)trans-108.4120.7177.7178.80000107.9L23 R24 I54 C57 I110L23-V60 HydrophobicContact CB-CG1 4.01Å; L23-V60 HydrophobicContact CD2-CG1 3.98Å; L23-V60 HydrophobicContact CG-CG1 4.47Å; R24-V60 CarbonylContact O-C 3.54Å; R24-V60 WeakPolarHBondContact O-CA 3.41Å; I54-V60 HydrophobicContact CD1-CG1 4.06Å; I54-V60 HydrophobicContact CD1-CG2 4.27Å; I54-V60 HydrophobicContact CG1-CG1 4.34Å; I54-V60 HydrophobicContact CG1-CG2 3.7Å; C57-V60 HydrophobicContact CB-CG2 3.95Å; V60-I110 HydrophobicContact CB-CB 4.49Å; V60-I110 PolarHBondContact N-O 2.95Å; V60-I110 PolarHBondContact O-N 3.25Å
61S97.7Very high96Very high30 Ų3053.3 Ų53.321%0.2125%0.249CC..EExtended strand (participates in β ladder)trans-84.3121.6168.7174.60000108.6L23 R24L23-S61 WeakPolarHBondContact CA-O 3.11Å; R24-S61 PolarHBondContact N-O 3.4Å; R24-S61 PolarHBondContact O-N 2.95Å
62R98.1Very high96.1Very high6 Ų651.8 Ų51.82%0.02324%0.239CC..EExtended strand (participates in β ladder)trans-103.1137.3174.4179.8-177.469.6-1521.4109.1M21 N22 L23 I64 F93 Q107 S108M21-R62 HydrophobicContact CG-CG 4.23Å; M21-R62 HydrophobicContact SD-CG 4.14Å; N22-R62 WeakPolarHBondContact O-CA 3.4Å; L23-R62 HydrophobicContact CD2-CB 3.77Å; L23-R62 HydrophobicContact CD2-CG 3.77Å; R62-I64 HydrophobicContact CG-CD1 4.4Å; R62-I64 HydrophobicContact CG-CG1 4.03Å; R62-F93 VanDerWaalsContact NH2-CE2 3.34Å; R62-Q107 CarbonylContact O-C 3.53Å; R62-Q107 WeakPolarHBondContact O-CA 3.44Å; R62-S108 PolarHBondContact N-O 3.03Å; R62-S108 PolarHBondContact NH2-OG 3.18Å; R62-S108 PolarHBondContact O-N 2.91Å
63E98.4Very high96.2Very high30 Ų3050.5 Ų50.514%0.1424%0.239CC..EExtended strand (participates in β ladder)trans-127.4125.5169.7-168.8177.381.600109W20 M21 N22 T105 W106 Q107W20-E63 HydrophobicContact CH2-CG 3.81Å; W20-E63 WeakPolarHBondContact CH2-OE1 3.44Å; W20-E63 HydrophobicContact CZ3-CB 4.17Å; W20-E63 HydrophobicContact CZ3-CG 3.7Å; W20-E63 VanDerWaalsContact CZ3-OE1 3.29Å; W20-E63 WeakPolarHBondContact CZ3-OE1 3.46Å; M21-E63 CarbonylContact C-O 3.53Å; M21-E63 VanDerWaalsContact CA-O 3.27Å; M21-E63 WeakPolarHBondContact CA-O 3.35Å; N22-E63 PolarHBondContact N-O 2.93Å; N22-E63 PolarHBondContact ND2-OE1 3.48Å; N22-E63 PolarHBondContact O-N 2.81Å; E63-T105 HydrophobicContact CG-CG2 3.48Å; E63-T105 VanDerWaalsContact CG-CG2 3.48Å; E63-W106 CarbonylContact C-O 3.5Å; E63-W106 WeakPolarHBondContact CA-O 3.43Å; E63-Q107 HydrophobicContact CB-CG 4.34Å; E63-Q107 HydrophobicContact CG-CG 3.9Å; E63-Q107 PolarHBondContact OE2-NE2 2.81Å
64I98.1Very high96.5Very high9 Ų948.7 Ų48.75%0.04623%0.234CC..EExtended strand (participates in β ladder)trans-115.5135.6178.1-63.5172.1000107.4L18 M21 R62 F66 T105 W106L18-I64 HydrophobicContact CD2-CG2 3.61Å; M21-I64 HydrophobicContact CG-CG1 3.96Å; M21-I64 HydrophobicContact SD-CD1 4.27Å; M21-I64 HydrophobicContact SD-CG1 3.88Å; R62-I64 HydrophobicContact CG-CD1 4.4Å; R62-I64 HydrophobicContact CG-CG1 4.03Å; I64-F66 HydrophobicContact CG2-CD1 4.49Å; I64-T105 CarbonylContact O-C 3.56Å; I64-T105 WeakPolarHBondContact O-CA 3.4Å; I64-W106 PolarHBondContact N-O 2.87Å; I64-W106 PolarHBondContact O-N 3.3Å
65N98.7Very high96.6Very high15 Ų1548.2 Ų48.28%0.0823%0.231CC..EExtended strand (participates in β ladder)trans-112.5132.2164.5-175.3-89.4000109.9N19 W20 T103 N104 T105N19-N65 HydrophobicContact CB-CB 4.44Å; N19-N65 WeakPolarHBondContact CB-OD1 3.46Å; N19-N65 PolarHBondContact N-O 2.98Å; N19-N65 PolarHBondContact ND2-OD1 3Å; W20-N65 HydrophobicContact CD2-CB 3.4Å; W20-N65 HydrophobicContact CE3-CB 3.9Å; W20-N65 HydrophobicContact CG-CB 3.9Å; W20-N65 HydrophobicContact CH2-CB 3.78Å; W20-N65 HydrophobicContact CZ2-CB 3.3Å; W20-N65 HydrophobicContact CZ3-CB 4.06Å; W20-N65 PolarHBondContact N-O 3.03Å; W20-N65 VanDerWaalsContact NE1-CB 3.29Å; W20-N65 PolarHBondContact O-N 2.81Å; N65-T103 VanDerWaalsContact OD1-CG2 3.31Å; N65-T103 WeakPolarHBondContact OD1-CG2 3.43Å; N65-N104 VanDerWaalsContact CA-O 3.24Å; N65-N104 WeakPolarHBondContact CA-O 3.22Å; N65-N104 PolarHBondContact ND2-O 3.42Å; N65-N104 VanDerWaalsContact ND2-O 3.12Å; N65-T105 PolarHBondContact ND2-OG1 3.14Å; N65-T105 VanDerWaalsContact ND2-OG1 3.12Å
66F98.7Very high97Very high0 Ų048.9 Ų48.90%023%0.231CC..EExtended strand (participates in β ladder)trans-140.4156.4-177.371-90.2000110.7F16 K17 L18 I64 F75 F95 V98 T103 N104 W106F16-F66 HydrophobicContact CD2-CD2 4.29Å; F16-F66 HydrophobicContact CE2-CB 4.23Å; F16-F66 AromaticContact CE2-CD2 3.44Å; F16-F66 HydrophobicContact CE2-CD2 3.44Å; F16-F66 VanDerWaalsContact CE2-CD2 3.44Å; F16-F66 HydrophobicContact CE2-CE2 4.02Å; F16-F66 HydrophobicContact CE2-CG 4.04Å; F16-F66 HydrophobicContact CZ-CB 3.98Å; F16-F66 AromaticContact CZ-CD2 3.99Å; F16-F66 HydrophobicContact CZ-CD2 3.99Å; F16-F66 HydrophobicContact CZ-CG 4.11Å; K17-F66 CarbonylContact O-C 3.59Å; K17-F66 WeakPolarHBondContact O-CA 3.46Å; K17-F66 WeakPolarHBondContact O-CB 3.47Å; L18-F66 HydrophobicContact CD2-CB 3.67Å; I64-F66 HydrophobicContact CG2-CD1 4.49Å; F66-F75 HydrophobicContact CD1-CE1 4.42Å; F66-F75 HydrophobicContact CD2-CE1 4.36Å; F66-F75 HydrophobicContact CE1-CD1 4.31Å; F66-F75 AromaticContact CE1-CE1 3.96Å; F66-F75 HydrophobicContact CE1-CE1 3.96Å; F66-F75 HydrophobicContact CE2-CD1 4.06Å; F66-F75 AromaticContact CE2-CE1 3.9Å; F66-F75 HydrophobicContact CE2-CE1 3.9Å; F66-F75 AromaticContact CZ-CD1 3.7Å; F66-F75 HydrophobicContact CZ-CD1 3.7Å; F66-F75 AromaticContact CZ-CE1 3.68Å; F66-F75 HydrophobicContact CZ-CE1 3.68Å; F66-F95 AromaticContact CE1-CD2 3.95Å; F66-F95 HydrophobicContact CE1-CD2 3.95Å; F66-F95 AromaticContact CE1-CE2 3.9Å; F66-F95 HydrophobicContact CE1-CE2 3.9Å; F66-F95 HydrophobicContact CE1-CG 4.3Å; F66-F95 HydrophobicContact CE1-CZ 4.24Å; F66-F95 AromaticContact CZ-CD1 3.97Å; F66-F95 HydrophobicContact CZ-CD1 3.97Å; F66-F95 HydrophobicContact CZ-CD2 4.13Å; F66-F95 AromaticContact CZ-CE1 3.9Å; F66-F95 HydrophobicContact CZ-CE1 3.9Å; F66-F95 HydrophobicContact CZ-CE2 4.04Å; F66-F95 HydrophobicContact CZ-CG 4.1Å; F66-F95 AromaticContact CZ-CZ 3.94Å; F66-F95 HydrophobicContact CZ-CZ 3.94Å; F66-V98 HydrophobicContact CE2-CG1 4.08Å; F66-V98 HydrophobicContact CE2-CG2 3.94Å; F66-V98 HydrophobicContact CZ-CG2 3.97Å; F66-T103 CarbonylContact O-C 3.52Å; F66-T103 WeakPolarHBondContact O-CA 3.3Å; F66-N104 HydrophobicContact CD1-CB 4.31Å; F66-N104 HydrophobicContact CE1-CB 3.75Å; F66-N104 HydrophobicContact CE2-CB 4.2Å; F66-N104 HydrophobicContact CZ-CB 3.69Å; F66-N104 PolarHBondContact N-O 2.82Å; F66-N104 PolarHBondContact O-N 2.82Å; F66-W106 HydrophobicContact CE1-CB 4.2Å; F66-W106 HydrophobicContact CE1-CE3 4.25Å
67S98.6Very high97.3Very high30 Ų3040.4 Ų40.421%0.2119%0.194CC..EExtended strand (participates in β ladder)trans-120.7146.5172.1-57.80000109.7F16 K17 N19 S102 T103F16-S67 WeakPolarHBondContact CA-O 3.29Å; K17-S67 PolarHBondContact N-O 3.27Å; K17-S67 PolarHBondContact O-N 3.26Å; N19-S67 PolarHBondContact ND2-N 2.78Å; N19-S67 PolarHBondContact ND2-OG 3.07Å; S67-S102 VanDerWaalsContact CA-O 3.28Å; S67-S102 WeakPolarHBondContact CA-O 3.42Å; S67-T103 PolarHBondContact OG-OG1 2.95Å
68S98.5Very high97.6Very high2 Ų242.5 Ų42.51%0.01420%0.203CC..EExtended strand (participates in β ladder)trans-133.2130.4172.6-173.90000109.8G15 E70 G101 S102G15-S68 CarbonylContact O-C 3.53Å; G15-S68 WeakPolarHBondContact O-CA 3.42Å; S68-E70 WeakPolarHBondContact CB-O 3.48Å; S68-E70 PolarHBondContact OG-N 2.7Å; S68-E70 PolarHBondContact OG-O 3.02Å; S68-G101 CarbonylContact O-C 3.53Å; S68-G101 WeakPolarHBondContact O-CA 3.26Å; S68-G101 PolarHBondContact O-N 3.39Å; S68-S102 PolarHBondContact N-O 2.84Å; S68-S102 VanDerWaalsContact N-O 3.15Å; S68-S102 PolarHBondContact O-N 2.81Å
69K98.4Very high97.9Very high146 Ų14635.9 Ų35.964%0.63517%0.174SC*.SBendtrans-74.4-37.9168.1-66-177-174.5167.50111.6G15 P100 G101G15-K69 PolarHBondContact O-N 2.82Å; K69-P100 WeakPolarHBondContact O-CB 3.29Å; K69-G101 PolarHBondContact O-N 2.97Å
70E97.5Very high98.1Very high73 Ų7337.3 Ų37.334%0.34118%0.179SC..SBendtrans-86.9154.2-178.8-59-58.6158.800111.5S11 I12 S68S11-E70 PolarHBondContact OG-OE1 3.49Å; I12-E70 HydrophobicContact CG1-CB 3.94Å; I12-E70 HydrophobicContact CG1-CG 4.05Å; S68-E70 WeakPolarHBondContact CB-O 3.48Å; S68-E70 PolarHBondContact OG-N 2.7Å; S68-E70 PolarHBondContact OG-O 3.02Å
71Q97.6Very high98.1Very high81 Ų8137 Ų3738%0.37918%0.177SC..  trans-73.4136.4167.1-178.3168.4-62.500109.6E73 F97 V98 P100Q71-E73 PolarHBondContact NE2-OE1 3.33Å; Q71-F97 HydrophobicContact CG-CE2 3.67Å; Q71-F97 HydrophobicContact CG-CZ 3.74Å; Q71-V98 WeakPolarHBondContact CA-O 3.39Å; Q71-P100 HydrophobicContact CB-CB 4.22Å; Q71-P100 HydrophobicContact CB-CG 4.22Å
72L98.1Very high98Very high0 Ų037.6 Ų37.60%018%0.176CC..EExtended strand (participates in β ladder)trans-117.4127.2169.1-50.6177.8000108I12 F75 F97 V98 D136I12-L72 HydrophobicContact CD1-CD2 3.61Å; I12-L72 HydrophobicContact CG1-CD2 3.86Å; I12-L72 HydrophobicContact CG2-CD2 3.79Å; L72-F75 HydrophobicContact CB-CB 4.02Å; L72-F75 HydrophobicContact CD1-CB 3.78Å; L72-F75 HydrophobicContact CD1-CD1 4.43Å; L72-F75 HydrophobicContact CD1-CD2 3.46Å; L72-F75 VanDerWaalsContact CD1-CD2 3.46Å; L72-F75 HydrophobicContact CD1-CE2 4.13Å; L72-F75 HydrophobicContact CD1-CG 3.65Å; L72-F97 WeakPolarHBondContact O-CA 3.43Å; L72-F97 WeakPolarHBondContact O-CD2 3.37Å; L72-V98 HydrophobicContact CB-CB 3.86Å; L72-V98 HydrophobicContact CB-CG2 4.09Å; L72-V98 HydrophobicContact CD1-CB 4.26Å; L72-V98 HydrophobicContact CD1-CG2 4.06Å; L72-V98 HydrophobicContact CG-CB 4.11Å; L72-V98 HydrophobicContact CG-CG2 4.38Å; L72-V98 PolarHBondContact N-O 2.8Å; L72-V98 VanDerWaalsContact N-O 3.15Å; L72-V98 PolarHBondContact O-N 2.89Å; L72-D136 HydrophobicContact CD2-CB 4.11Å
73E97.8Very high97.9Very high115 Ų11538.4 Ų38.454%0.53718%0.181SC..EExtended strand (participates in β ladder)trans-74.9-41.8-177.4-64.6-59.1155.400111Q71 D136Q71-E73 PolarHBondContact NE2-OE1 3.33Å; E73-D136 PolarHBondContact N-OD1 2.85Å
74N98Very high97.7Very high51 Ų5145.1 Ų45.127%0.27321%0.205SC..EExtended strand (participates in β ladder)trans-144.984.7176.7-175.217.5000110.3E94 D136 G137N74-E94 PolarHBondContact OD1-OE1 2.97Å; N74-D136 PolarHBondContact N-OD1 3.36Å; N74-D136 CarbonylContact O-C 3.55Å; N74-D136 WeakPolarHBondContact O-CA 3.43Å; N74-G137 PolarHBondContact O-N 3.09Å
75F98.5Very high97.4Very high4 Ų452 Ų522%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-76.5124.5177.2-176-130.5000111.2F16 F66 L72 F95 G96 V98 W106 F134 Y135F16-F75 AromaticContact CE2-CE1 3.99Å; F16-F75 HydrophobicContact CE2-CE1 3.99Å; F16-F75 HydrophobicContact CE2-CE2 4.08Å; F16-F75 AromaticContact CE2-CZ 3.53Å; F16-F75 HydrophobicContact CE2-CZ 3.53Å; F16-F75 HydrophobicContact CZ-CE1 4.16Å; F16-F75 HydrophobicContact CZ-CE2 4.29Å; F16-F75 AromaticContact CZ-CZ 3.52Å; F16-F75 HydrophobicContact CZ-CZ 3.52Å; F66-F75 HydrophobicContact CD1-CE1 4.42Å; F66-F75 HydrophobicContact CD2-CE1 4.36Å; F66-F75 HydrophobicContact CE1-CD1 4.31Å; F66-F75 AromaticContact CE1-CE1 3.96Å; F66-F75 HydrophobicContact CE1-CE1 3.96Å; F66-F75 HydrophobicContact CE2-CD1 4.06Å; F66-F75 AromaticContact CE2-CE1 3.9Å; F66-F75 HydrophobicContact CE2-CE1 3.9Å; F66-F75 AromaticContact CZ-CD1 3.7Å; F66-F75 HydrophobicContact CZ-CD1 3.7Å; F66-F75 AromaticContact CZ-CE1 3.68Å; F66-F75 HydrophobicContact CZ-CE1 3.68Å; L72-F75 HydrophobicContact CB-CB 4.02Å; L72-F75 HydrophobicContact CD1-CB 3.78Å; L72-F75 HydrophobicContact CD1-CD1 4.43Å; L72-F75 HydrophobicContact CD1-CD2 3.46Å; L72-F75 VanDerWaalsContact CD1-CD2 3.46Å; L72-F75 HydrophobicContact CD1-CE2 4.13Å; L72-F75 HydrophobicContact CD1-CG 3.65Å; F75-F95 HydrophobicContact CB-CB 4.39Å; F75-F95 HydrophobicContact CB-CD1 4.47Å; F75-F95 HydrophobicContact CD1-CB 3.81Å; F75-F95 HydrophobicContact CD1-CD1 4.19Å; F75-F95 HydrophobicContact CD1-CG 4.12Å; F75-F95 HydrophobicContact CG-CB 4.49Å; F75-F95 WeakPolarHBondContact O-CA 3.38Å; F75-F95 WeakPolarHBondContact O-CB 3.01Å; F75-F95 PolarHBondContact O-N 2.7Å; F75-G96 WeakPolarHBondContact CB-O 3.16Å; F75-G96 PolarHBondContact N-O 2.88Å; F75-G96 PolarHBondContact O-N 3.01Å; F75-V98 HydrophobicContact CB-CG2 3.66Å; F75-V98 HydrophobicContact CD1-CG2 4.01Å; F75-V98 HydrophobicContact CG-CG2 4.11Å; F75-W106 HydrophobicContact CD1-CE3 4.44Å; F75-W106 AromaticContact CD1-CZ3 3.97Å; F75-W106 HydrophobicContact CD1-CZ3 3.97Å; F75-W106 AromaticContact CE1-CE3 3.99Å; F75-W106 HydrophobicContact CE1-CE3 3.99Å; F75-W106 AromaticContact CE1-CZ3 3.56Å; F75-W106 HydrophobicContact CE1-CZ3 3.56Å; F75-W106 HydrophobicContact CZ-CZ3 4.2Å; F75-F134 HydrophobicContact CE2-CB 4.29Å; F75-F134 AromaticContact CE2-CD1 3.87Å; F75-F134 HydrophobicContact CE2-CD1 3.87Å; F75-F134 AromaticContact CZ-CD1 3.74Å; F75-F134 HydrophobicContact CZ-CD1 3.74Å; F75-F134 HydrophobicContact CZ-CE1 4.31Å; F75-Y135 WeakPolarHBondContact CA-O 3.47Å; F75-Y135 WeakPolarHBondContact CD2-O 3.48Å
76W98.5Very high97.2Very high59 Ų5957.8 Ų57.822%0.22327%0.268CS..EExtended strand (participates in β ladder)trans-148.4166173.567.3-78.5000110.3E78 F93 E94 Y135 G137W76-E78 HydrophobicContact CZ3-CB 3.96Å; W76-F93 CarbonylContact C-O 3.52Å; W76-F93 WeakPolarHBondContact CA-O 3.46Å; W76-F93 VanDerWaalsContact CB-O 3.32Å; W76-F93 WeakPolarHBondContact CB-O 3.11Å; W76-E94 HydrophobicContact CB-CB 4.3Å; W76-E94 HydrophobicContact CB-CG 4.31Å; W76-Y135 AromaticContact CD2-CD2 3.98Å; W76-Y135 HydrophobicContact CD2-CD2 3.98Å; W76-Y135 HydrophobicContact CD2-CG 4.22Å; W76-Y135 AromaticContact CE2-CD2 3.7Å; W76-Y135 AromaticContact CE2-CG 3.58Å; W76-Y135 HydrophobicContact CE3-CD2 4.04Å; W76-Y135 AromaticContact CH2-CD2 3.56Å; W76-Y135 HydrophobicContact CH2-CD2 3.56Å; W76-Y135 AromaticContact CH2-CE2 3.62Å; W76-Y135 HydrophobicContact CH2-CE2 3.62Å; W76-Y135 HydrophobicContact CH2-CG 4.05Å; W76-Y135 AromaticContact CZ2-CD1 3.9Å; W76-Y135 HydrophobicContact CZ2-CD1 3.9Å; W76-Y135 AromaticContact CZ2-CD2 3.48Å; W76-Y135 HydrophobicContact CZ2-CD2 3.48Å; W76-Y135 VanDerWaalsContact CZ2-CD2 3.48Å; W76-Y135 HydrophobicContact CZ2-CE1 4.33Å; W76-Y135 AromaticContact CZ2-CE2 3.92Å; W76-Y135 HydrophobicContact CZ2-CE2 3.92Å; W76-Y135 AromaticContact CZ2-CG 3.47Å; W76-Y135 HydrophobicContact CZ2-CG 3.47Å; W76-Y135 VanDerWaalsContact CZ2-CG 3.47Å; W76-Y135 AromaticContact CZ3-CD2 3.86Å; W76-Y135 HydrophobicContact CZ3-CD2 3.86Å; W76-Y135 HydrophobicContact CZ3-CE2 4.02Å; W76-Y135 PolarHBondContact N-O 3.39Å; W76-Y135 VanDerWaalsContact N-O 3.14Å; W76-Y135 AromaticContact NE1-CG 3.9Å; W76-Y135 PolarHBondContact O-N 2.87Å; W76-G137 PolarHBondContact NE1-O 2.82Å
77L98.1Very high97Very high2 Ų260.2 Ų60.21%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-136.3147.6174.864.186.3000111.8Q79 S92 F93 W106 T132 H133 F134L77-Q79 HydrophobicContact CD1-CG 3.46Å; L77-Q79 VanDerWaalsContact CD1-CG 3.46Å; L77-S92 WeakPolarHBondContact O-CA 3.27Å; L77-F93 HydrophobicContact CD1-CB 4.23Å; L77-F93 HydrophobicContact CD1-CD2 3.58Å; L77-F93 HydrophobicContact CD1-CE2 4.44Å; L77-F93 HydrophobicContact CD1-CG 4.36Å; L77-F93 HydrophobicContact CG-CB 4.37Å; L77-F93 PolarHBondContact N-O 2.87Å; L77-F93 PolarHBondContact O-N 3.12Å; L77-W106 HydrophobicContact CB-CH2 4.47Å; L77-W106 HydrophobicContact CD2-CE3 4.31Å; L77-W106 HydrophobicContact CD2-CH2 3.73Å; L77-W106 HydrophobicContact CD2-CZ3 3.48Å; L77-W106 VanDerWaalsContact CD2-CZ3 3.48Å; L77-W106 HydrophobicContact CG-CH2 3.68Å; L77-W106 HydrophobicContact CG-CZ3 3.98Å; L77-T132 HydrophobicContact CB-CG2 4.05Å; L77-T132 HydrophobicContact CD1-CG2 4.16Å; L77-T132 HydrophobicContact CD2-CG2 4.29Å; L77-T132 HydrophobicContact CG-CG2 4.42Å; L77-H133 CarbonylContact C-O 3.38Å; L77-H133 WeakPolarHBondContact CA-O 3.08Å; L77-H133 WeakPolarHBondContact CB-O 3.5Å; L77-F134 HydrophobicContact CB-CD1 4.26Å; L77-F134 HydrophobicContact CD2-CD1 4.38Å; L77-F134 HydrophobicContact CD2-CE1 4.02Å
78E98.1Very high96.8Very high55 Ų5561.7 Ų61.726%0.25729%0.29SS..EExtended strand (participates in β ladder)trans-112.3134.6168.6-173.4-179.6-107.600108.7W76 W91 T132 H133 Y135W76-E78 HydrophobicContact CZ3-CB 3.96Å; E78-W91 CarbonylContact C-O 3.54Å; E78-W91 WeakPolarHBondContact CA-O 3.38Å; E78-T132 CarbonylContact O-C 3.54Å; E78-T132 WeakPolarHBondContact O-CA 3.43Å; E78-H133 HydrophobicContact CB-CB 4.36Å; E78-H133 PolarHBondContact N-O 2.9Å; E78-H133 PolarHBondContact O-N 2.85Å; E78-H133 IonicContact OE2-ND1 3.8Å; E78-Y135 HydrophobicContact CB-CE2 4.13Å
79Q98.1Very high96.5Very high18 Ų1865.2 Ų65.28%0.08431%0.307CS..EExtended strand (participates in β ladder)trans-119.5120.4176-59.9-169.1-65.800110.1L77 N90 W91 I130 V131 T132L77-Q79 HydrophobicContact CD1-CG 3.46Å; L77-Q79 VanDerWaalsContact CD1-CG 3.46Å; Q79-N90 CarbonylContact O-C 3.58Å; Q79-N90 VanDerWaalsContact O-CA 3.3Å; Q79-N90 WeakPolarHBondContact O-CA 3.5Å; Q79-W91 HydrophobicContact CB-CE3 4.1Å; Q79-W91 PolarHBondContact N-O 3.13Å; Q79-W91 PolarHBondContact O-N 2.97Å; Q79-I130 HydrophobicContact CB-CG2 4.04Å; Q79-I130 HydrophobicContact CG-CG2 4.38Å; Q79-V131 CarbonylContact C-O 3.58Å; Q79-V131 VanDerWaalsContact CA-O 3.29Å; Q79-V131 WeakPolarHBondContact CA-O 3.37Å; Q79-T132 HydrophobicContact CG-CG2 4.05Å; Q79-T132 PolarHBondContact NE2-OG1 3.01Å
80E97.5Very high96.3Very high45 Ų4562.7 Ų62.721%0.2130%0.3CS..EExtended strand (participates in β ladder)trans-100.1126.1169.8-60.9-173.1-84.400108.9F82 N90 I130 V131 H133E80-F82 HydrophobicContact CB-CD2 4.22Å; E80-F82 HydrophobicContact CB-CE2 3.43Å; E80-F82 VanDerWaalsContact CB-CE2 3.43Å; E80-F82 HydrophobicContact CB-CZ 3.96Å; E80-F82 HydrophobicContact CG-CE2 4.46Å; E80-N90 WeakPolarHBondContact CA-OD1 3.21Å; E80-N90 WeakPolarHBondContact CG-OD1 3.44Å; E80-I130 WeakPolarHBondContact O-CA 3.22Å; E80-V131 HydrophobicContact CB-CB 4.43Å; E80-V131 PolarHBondContact N-O 2.68Å; E80-V131 PolarHBondContact O-N 3.12Å; E80-H133 IonicContact OE1-CE1 2.82Å; E80-H133 PolarHBondContact OE1-CE1 3.08Å
81V96.4Very high96.2Very high6 Ų661.7 Ų61.74%0.03629%0.293CS..EExtended strand (participates in β ladder)trans-100.8117.6178.6-172.40000108.7S87 I88 E89 W91 V128 I130V81-S87 WeakPolarHBondContact O-CA 3.35Å; V81-I88 HydrophobicContact CB-CG1 4.17Å; V81-I88 HydrophobicContact CG1-CD1 4.01Å; V81-I88 HydrophobicContact CG1-CG1 3.94Å; V81-I88 VanDerWaalsContact O-CG1 3.25Å; V81-I88 WeakPolarHBondContact O-CG1 3.24Å; V81-I88 PolarHBondContact O-N 3.37Å; V81-E89 HydrophobicContact CB-CB 4.06Å; V81-E89 HydrophobicContact CG2-CB 4.07Å; V81-E89 PolarHBondContact N-O 2.78Å; V81-W91 HydrophobicContact CG2-CD2 4.27Å; V81-W91 HydrophobicContact CG2-CE3 3.98Å; V81-W91 HydrophobicContact CG2-CH2 3.53Å; V81-W91 HydrophobicContact CG2-CZ2 3.83Å; V81-W91 HydrophobicContact CG2-CZ3 3.6Å; V81-V128 HydrophobicContact CG1-CG1 3.88Å; V81-I130 HydrophobicContact CG1-CG1 4.46Å; V81-I130 HydrophobicContact CG2-CG1 4.39Å
82F97.1Very high96.2Very high42 Ų4261.6 Ų61.618%0.18430%0.301CS..EExtended strand (participates in β ladder)trans-106.3132.6178.5-65.8-91.8000111E80 Q86 V128 V129 V131E80-F82 HydrophobicContact CB-CD2 4.22Å; E80-F82 HydrophobicContact CB-CE2 3.43Å; E80-F82 VanDerWaalsContact CB-CE2 3.43Å; E80-F82 HydrophobicContact CB-CZ 3.96Å; E80-F82 HydrophobicContact CG-CE2 4.46Å; F82-Q86 CarbonylContact C-O 3.53Å; F82-Q86 VanDerWaalsContact CA-O 3.28Å; F82-Q86 WeakPolarHBondContact CA-O 3.34Å; F82-V128 CarbonylContact O-C 3.56Å; F82-V128 VanDerWaalsContact O-CA 3.23Å; F82-V128 WeakPolarHBondContact O-CA 3.41Å; F82-V129 PolarHBondContact N-O 2.75Å; F82-V129 PolarHBondContact O-N 2.91Å; F82-V131 HydrophobicContact CD2-CB 4.37Å; F82-V131 HydrophobicContact CD2-CG2 3.68Å; F82-V131 HydrophobicContact CE2-CB 3.99Å; F82-V131 HydrophobicContact CE2-CG2 3.58Å
83L95.9Very high96.2Very high24 Ų2463 Ų6313%0.12631%0.308CS..EExtended strand (participates in β ladder)trans-110.3111.1163.4175.465.2000108.7D85 Q86 I88 I119 L124 N127 V128L83-D85 VanDerWaalsContact C-N 3.3Å; L83-D85 PolarHBondContact O-N 2.88Å; L83-Q86 PolarHBondContact N-O 3.06Å; L83-Q86 WeakPolarHBondContact O-CB 3.16Å; L83-Q86 PolarHBondContact O-N 2.98Å; L83-Q86 VanDerWaalsContact O-N 3.1Å; L83-I88 HydrophobicContact CB-CD1 4.02Å; L83-I88 HydrophobicContact CB-CG1 4.42Å; L83-I88 HydrophobicContact CB-CG2 4Å; L83-I119 HydrophobicContact CD2-CD1 3.79Å; L83-I119 HydrophobicContact CD2-CG2 4.33Å; L83-L124 HydrophobicContact CD1-CD2 4.26Å; L83-N127 HydrophobicContact CD1-CB 3.72Å; L83-V128 HydrophobicContact CD1-CG2 4.25Å
84R93.9Very high96.2Very high170 Ų17064 Ų6464%0.64231%0.312SS*.THydrogen-bonded Turntrans48.552.6-177-58.5-179.2174.7175.1-2.1112Q86 N127R84-Q86 PolarHBondContact O-N 2.86Å; R84-N127 HydrophobicContact CG-CB 4.03Å; R84-N127 PolarHBondContact N-O 3.31Å; R84-N127 VanDerWaalsContact N-O 3.1Å
85D91.9Very high96.2Very high153 Ų15364.3 Ų64.382%0.81831%0.311SS*.THydrogen-bonded Turntrans67.2-1.3179.2-47.8-45.9000116.1L83L83-D85 VanDerWaalsContact C-N 3.3Å; L83-D85 PolarHBondContact O-N 2.88Å
86Q94.9Very high96.2Very high137 Ų13764.7 Ų64.764%0.6432%0.317SS*.EExtended strand (participates in β ladder)trans-88121.7168.6-174177.13.500109.7F82 L83 R84 I88F82-Q86 CarbonylContact C-O 3.53Å; F82-Q86 VanDerWaalsContact CA-O 3.28Å; F82-Q86 WeakPolarHBondContact CA-O 3.34Å; L83-Q86 PolarHBondContact N-O 3.06Å; L83-Q86 WeakPolarHBondContact O-CB 3.16Å; L83-Q86 PolarHBondContact O-N 2.98Å; L83-Q86 VanDerWaalsContact O-N 3.1Å; R84-Q86 PolarHBondContact O-N 2.86Å; Q86-I88 PolarHBondContact O-N 2.89Å
87S94.5Very high96.2Very high51 Ų5166.6 Ų66.636%0.35733%0.327SS..EExtended strand (participates in β ladder)trans-65124.8168.91770000109.2V81 N90V81-S87 WeakPolarHBondContact O-CA 3.35Å; S87-N90 PolarHBondContact OG-OD1 2.96Å
88I93Very high96.2Very high61 Ų6166.5 Ų66.531%0.31333%0.326SS..EExtended strand (participates in β ladder)trans-114.8-29.4-177.756.1163000112.7V81 L83 Q86V81-I88 HydrophobicContact CB-CG1 4.17Å; V81-I88 HydrophobicContact CG1-CD1 4.01Å; V81-I88 HydrophobicContact CG1-CG1 3.94Å; V81-I88 VanDerWaalsContact O-CG1 3.25Å; V81-I88 WeakPolarHBondContact O-CG1 3.24Å; V81-I88 PolarHBondContact O-N 3.37Å; L83-I88 HydrophobicContact CB-CD1 4.02Å; L83-I88 HydrophobicContact CB-CG1 4.42Å; L83-I88 HydrophobicContact CB-CG2 4Å; Q86-I88 PolarHBondContact O-N 2.89Å
89E92.3Very high96.2Very high77 Ų7768.8 Ų68.836%0.3634%0.339SS..EExtended strand (participates in β ladder)trans-149146.2179.2-64.3-174.8-126.700109.9V81 W91V81-E89 HydrophobicContact CB-CB 4.06Å; V81-E89 HydrophobicContact CG2-CB 4.07Å; V81-E89 PolarHBondContact N-O 2.78Å; E89-W91 HydrophobicContact CB-CZ2 4.33Å; E89-W91 WeakPolarHBondContact OE2-CZ2 3.5Å; E89-W91 PolarHBondContact OE2-NE1 3.21Å
90N95.3Very high96.2Very high92 Ų9271 Ų7149%0.49236%0.355SS..EExtended strand (participates in β ladder)trans-128.8133.6172.2-68.8-22.7000108.8Q79 E80 S87Q79-N90 CarbonylContact O-C 3.58Å; Q79-N90 VanDerWaalsContact O-CA 3.3Å; Q79-N90 WeakPolarHBondContact O-CA 3.5Å; E80-N90 WeakPolarHBondContact CA-OD1 3.21Å; E80-N90 WeakPolarHBondContact CG-OD1 3.44Å; S87-N90 PolarHBondContact OG-OD1 2.96Å
91W95.4Very high96.2Very high52 Ų5271.8 Ų71.820%0.19738%0.376CS..EExtended strand (participates in β ladder)trans-128.3138.6178.8-50-42.7000110.2E78 Q79 V81 E89 F93 I110 I130E78-W91 CarbonylContact C-O 3.54Å; E78-W91 WeakPolarHBondContact CA-O 3.38Å; Q79-W91 HydrophobicContact CB-CE3 4.1Å; Q79-W91 PolarHBondContact N-O 3.13Å; Q79-W91 PolarHBondContact O-N 2.97Å; V81-W91 HydrophobicContact CG2-CD2 4.27Å; V81-W91 HydrophobicContact CG2-CE3 3.98Å; V81-W91 HydrophobicContact CG2-CH2 3.53Å; V81-W91 HydrophobicContact CG2-CZ2 3.83Å; V81-W91 HydrophobicContact CG2-CZ3 3.6Å; E89-W91 HydrophobicContact CB-CZ2 4.33Å; E89-W91 WeakPolarHBondContact OE2-CZ2 3.5Å; E89-W91 PolarHBondContact OE2-NE1 3.21Å; W91-F93 HydrophobicContact CB-CD2 4.3Å; W91-F93 HydrophobicContact CB-CE2 3.41Å; W91-F93 VanDerWaalsContact CB-CE2 3.41Å; W91-F93 HydrophobicContact CB-CZ 3.7Å; W91-F93 HydrophobicContact CE3-CE2 4.47Å; W91-F93 HydrophobicContact CG-CE2 4.31Å; W91-F93 HydrophobicContact CG-CZ 4.29Å; W91-I110 HydrophobicContact CD2-CG2 4.44Å; W91-I110 HydrophobicContact CE3-CD1 4.37Å; W91-I110 HydrophobicContact CH2-CD1 4.47Å; W91-I110 HydrophobicContact CH2-CG2 3.95Å; W91-I110 HydrophobicContact CZ2-CG2 3.68Å; W91-I110 HydrophobicContact CZ3-CD1 4.09Å; W91-I110 HydrophobicContact CZ3-CG2 4.45Å; W91-I130 HydrophobicContact CZ3-CD1 4.34Å
92S97.1Very high96.3Very high79 Ų7972.5 Ų72.555%0.55238%0.381SS*.EExtended strand (participates in β ladder)trans-120.8135.2174.5-50.60000109L77L77-S92 WeakPolarHBondContact O-CA 3.27Å
93F97.8Very high96.4Very high30 Ų3074.4 Ų74.413%0.13240%0.396CS..EExtended strand (participates in β ladder)trans-133.1130.8179-55.3-83.6000109R62 W76 L77 W91 W106 I110R62-F93 VanDerWaalsContact NH2-CE2 3.34Å; W76-F93 CarbonylContact C-O 3.52Å; W76-F93 WeakPolarHBondContact CA-O 3.46Å; W76-F93 VanDerWaalsContact CB-O 3.32Å; W76-F93 WeakPolarHBondContact CB-O 3.11Å; L77-F93 HydrophobicContact CD1-CB 4.23Å; L77-F93 HydrophobicContact CD1-CD2 3.58Å; L77-F93 HydrophobicContact CD1-CE2 4.44Å; L77-F93 HydrophobicContact CD1-CG 4.36Å; L77-F93 HydrophobicContact CG-CB 4.37Å; L77-F93 PolarHBondContact N-O 2.87Å; L77-F93 PolarHBondContact O-N 3.12Å; W91-F93 HydrophobicContact CB-CD2 4.3Å; W91-F93 HydrophobicContact CB-CE2 3.41Å; W91-F93 VanDerWaalsContact CB-CE2 3.41Å; W91-F93 HydrophobicContact CB-CZ 3.7Å; W91-F93 HydrophobicContact CE3-CE2 4.47Å; W91-F93 HydrophobicContact CG-CE2 4.31Å; W91-F93 HydrophobicContact CG-CZ 4.29Å; F93-W106 VanDerWaalsContact C-CZ2 3.41Å; F93-W106 HydrophobicContact CB-CH2 4.04Å; F93-W106 HydrophobicContact CB-CZ2 3.45Å; F93-W106 VanDerWaalsContact CB-CZ2 3.45Å; F93-W106 VanDerWaalsContact O-CH2 3.28Å; F93-W106 WeakPolarHBondContact O-CH2 3.39Å; F93-W106 VanDerWaalsContact O-CZ2 3.32Å; F93-W106 WeakPolarHBondContact O-CZ2 3.16Å; F93-I110 HydrophobicContact CZ-CG1 4.02Å
94E97.9Very high96.5Very high135 Ų13574.8 Ų74.863%0.63140%0.398SS*.EExtended strand (participates in β ladder)trans-105.6132.7176.2-170.6174.5-174.500110.7N74 W76 W106N74-E94 PolarHBondContact OD1-OE1 2.97Å; W76-E94 HydrophobicContact CB-CB 4.3Å; W76-E94 HydrophobicContact CB-CG 4.31Å; E94-W106 WeakPolarHBondContact O-CZ2 3.31Å; E94-W106 PolarHBondContact O-NE1 3.39Å
95F98.3Very high96.7Very high58 Ų5870.1 Ų70.125%0.25439%0.389SS..EExtended strand (participates in β ladder)trans-101-41.7170.3-178.6-92.4000110.4F66 F75 F97 V98 N104 W106F66-F95 AromaticContact CE1-CD2 3.95Å; F66-F95 HydrophobicContact CE1-CD2 3.95Å; F66-F95 AromaticContact CE1-CE2 3.9Å; F66-F95 HydrophobicContact CE1-CE2 3.9Å; F66-F95 HydrophobicContact CE1-CG 4.3Å; F66-F95 HydrophobicContact CE1-CZ 4.24Å; F66-F95 AromaticContact CZ-CD1 3.97Å; F66-F95 HydrophobicContact CZ-CD1 3.97Å; F66-F95 HydrophobicContact CZ-CD2 4.13Å; F66-F95 AromaticContact CZ-CE1 3.9Å; F66-F95 HydrophobicContact CZ-CE1 3.9Å; F66-F95 HydrophobicContact CZ-CE2 4.04Å; F66-F95 HydrophobicContact CZ-CG 4.1Å; F66-F95 AromaticContact CZ-CZ 3.94Å; F66-F95 HydrophobicContact CZ-CZ 3.94Å; F75-F95 HydrophobicContact CB-CB 4.39Å; F75-F95 HydrophobicContact CB-CD1 4.47Å; F75-F95 HydrophobicContact CD1-CB 3.81Å; F75-F95 HydrophobicContact CD1-CD1 4.19Å; F75-F95 HydrophobicContact CD1-CG 4.12Å; F75-F95 HydrophobicContact CG-CB 4.49Å; F75-F95 WeakPolarHBondContact O-CA 3.38Å; F75-F95 WeakPolarHBondContact O-CB 3.01Å; F75-F95 PolarHBondContact O-N 2.7Å; F95-F97 WeakPolarHBondContact CE1-O 3.29Å; F95-V98 HydrophobicContact CD1-CG2 3.58Å; F95-V98 HydrophobicContact CE1-CG2 3.65Å; F95-N104 HydrophobicContact CE1-CB 4.38Å; F95-N104 HydrophobicContact CE2-CB 3.96Å; F95-N104 HydrophobicContact CZ-CB 3.53Å; F95-W106 HydrophobicContact CB-CD2 3.87Å; F95-W106 HydrophobicContact CB-CE3 3.91Å; F95-W106 HydrophobicContact CB-CH2 3.87Å; F95-W106 HydrophobicContact CB-CZ2 3.82Å; F95-W106 HydrophobicContact CB-CZ3 3.9Å; F95-W106 HydrophobicContact CD2-CB 3.73Å; F95-W106 AromaticContact CD2-CD1 3.96Å; F95-W106 AromaticContact CD2-CD2 3.79Å; F95-W106 HydrophobicContact CD2-CD2 3.79Å; F95-W106 HydrophobicContact CD2-CE3 4.17Å; F95-W106 AromaticContact CD2-CG 3.6Å; F95-W106 HydrophobicContact CD2-CG 3.6Å; F95-W106 HydrophobicContact CE2-CB 4.05Å; F95-W106 HydrophobicContact CE2-CG 4.37Å; F95-W106 HydrophobicContact CG-CD2 4.28Å; F95-W106 HydrophobicContact CG-CE3 4.37Å
96G98Very high97Very high13 Ų1363.6 Ų63.613%0.13435%0.353CS..EExtended strand (participates in β ladder)trans91.6-144.5-176.400000112.2F75 V98F75-G96 WeakPolarHBondContact CB-O 3.16Å; F75-G96 PolarHBondContact N-O 2.88Å; F75-G96 PolarHBondContact O-N 3.01Å; G96-V98 PolarHBondContact O-N 3.32Å
97F98.2Very high97.1Very high99 Ų9963.2 Ų63.243%0.43435%0.351SS..EExtended strand (participates in β ladder)trans-65.6132.9-173-175.4-97.7000113.1Q71 L72 F95 I99Q71-F97 HydrophobicContact CG-CE2 3.67Å; Q71-F97 HydrophobicContact CG-CZ 3.74Å; L72-F97 WeakPolarHBondContact O-CA 3.43Å; L72-F97 WeakPolarHBondContact O-CD2 3.37Å; F95-F97 WeakPolarHBondContact CE1-O 3.29Å; F97-I99 HydrophobicContact CD1-CG1 4.11Å; F97-I99 HydrophobicContact CE1-CB 4.44Å; F97-I99 HydrophobicContact CE1-CG1 3.7Å
98V98.6Very high97.2Very high0 Ų061.3 Ų61.30%034%0.337CS..EExtended strand (participates in β ladder)trans-115117.7174.2-179.80000109.6F66 Q71 L72 F75 F95 G96F66-V98 HydrophobicContact CE2-CG1 4.08Å; F66-V98 HydrophobicContact CE2-CG2 3.94Å; F66-V98 HydrophobicContact CZ-CG2 3.97Å; Q71-V98 WeakPolarHBondContact CA-O 3.39Å; L72-V98 HydrophobicContact CB-CB 3.86Å; L72-V98 HydrophobicContact CB-CG2 4.09Å; L72-V98 HydrophobicContact CD1-CB 4.26Å; L72-V98 HydrophobicContact CD1-CG2 4.06Å; L72-V98 HydrophobicContact CG-CB 4.11Å; L72-V98 HydrophobicContact CG-CG2 4.38Å; L72-V98 PolarHBondContact N-O 2.8Å; L72-V98 VanDerWaalsContact N-O 3.15Å; L72-V98 PolarHBondContact O-N 2.89Å; F75-V98 HydrophobicContact CB-CG2 3.66Å; F75-V98 HydrophobicContact CD1-CG2 4.01Å; F75-V98 HydrophobicContact CG-CG2 4.11Å; F95-V98 HydrophobicContact CD1-CG2 3.58Å; F95-V98 HydrophobicContact CE1-CG2 3.65Å; G96-V98 PolarHBondContact O-N 3.32Å
99I98Very high97.4Very high102 Ų10262.6 Ų62.652%0.52335%0.345SS..  trans-64.6135175.1-63.3165.7000109.2F97 S102F97-I99 HydrophobicContact CD1-CG1 4.11Å; F97-I99 HydrophobicContact CE1-CB 4.44Å; F97-I99 HydrophobicContact CE1-CG1 3.7Å; I99-S102 WeakPolarHBondContact O-CB 3.33Å; I99-S102 PolarHBondContact O-N 2.95Å; I99-S102 PolarHBondContact O-OG 2.86Å
100P98.1Very high97.4Very high64 Ų6460.3 Ų60.342%0.41633%0.334SS..THydrogen-bonded Turntrans-61.6139.4176.624.9-33.5000111.8K69 Q71 S102K69-P100 WeakPolarHBondContact O-CB 3.29Å; Q71-P100 HydrophobicContact CB-CB 4.22Å; Q71-P100 HydrophobicContact CB-CG 4.22Å; P100-S102 PolarHBondContact O-N 2.74Å
101G98.2Very high97.2Very high63 Ų6363 Ų6365%0.64934%0.344SS*.THydrogen-bonded Turntrans70.810.8-177.600000114.8S68 K69S68-G101 CarbonylContact O-C 3.53Å; S68-G101 WeakPolarHBondContact O-CA 3.26Å; S68-G101 PolarHBondContact O-N 3.39Å; K69-G101 PolarHBondContact O-N 2.97Å
102S98.5Very high96.6Very high20 Ų2062.8 Ų62.814%0.1435%0.351CS..EExtended strand (participates in β ladder)trans-85.9161.7-177.367.20000113.1S67 S68 I99 P100 N104S67-S102 VanDerWaalsContact CA-O 3.28Å; S67-S102 WeakPolarHBondContact CA-O 3.42Å; S68-S102 PolarHBondContact N-O 2.84Å; S68-S102 VanDerWaalsContact N-O 3.15Å; S68-S102 PolarHBondContact O-N 2.81Å; I99-S102 WeakPolarHBondContact O-CB 3.33Å; I99-S102 PolarHBondContact O-N 2.95Å; I99-S102 PolarHBondContact O-OG 2.86Å; P100-S102 PolarHBondContact O-N 2.74Å; S102-N104 PolarHBondContact OG-ND2 2.84Å
103T98.6Very high95.4Very high83 Ų8363 Ų6351%0.50935%0.346SS..EExtended strand (participates in β ladder)trans-122.4125.5165.8-62.40000107.7N65 F66 S67N65-T103 VanDerWaalsContact OD1-CG2 3.31Å; N65-T103 WeakPolarHBondContact OD1-CG2 3.43Å; F66-T103 CarbonylContact O-C 3.52Å; F66-T103 WeakPolarHBondContact O-CA 3.3Å; S67-T103 PolarHBondContact OG-OG1 2.95Å
104N98.5Very high93.9Very high31 Ų3164.4 Ų64.417%0.16636%0.359CS..EExtended strand (participates in β ladder)trans-123.9152.6-170.4-58.6-78.4000110.6N65 F66 F95 S102N65-N104 VanDerWaalsContact CA-O 3.24Å; N65-N104 WeakPolarHBondContact CA-O 3.22Å; N65-N104 PolarHBondContact ND2-O 3.42Å; N65-N104 VanDerWaalsContact ND2-O 3.12Å; F66-N104 HydrophobicContact CD1-CB 4.31Å; F66-N104 HydrophobicContact CE1-CB 3.75Å; F66-N104 HydrophobicContact CE2-CB 4.2Å; F66-N104 HydrophobicContact CZ-CB 3.69Å; F66-N104 PolarHBondContact N-O 2.82Å; F66-N104 PolarHBondContact O-N 2.82Å; F95-N104 HydrophobicContact CE1-CB 4.38Å; F95-N104 HydrophobicContact CE2-CB 3.96Å; F95-N104 HydrophobicContact CZ-CB 3.53Å; S102-N104 PolarHBondContact OG-ND2 2.84Å
105T98.4Very high92.1Very high73 Ų7361.3 Ų61.345%0.44836%0.357SS..EExtended strand (participates in β ladder)trans-113.7127.3170.3-620000108.5W20 E63 I64 N65W20-T105 HydrophobicContact CH2-CG2 4.06Å; E63-T105 HydrophobicContact CG-CG2 3.48Å; E63-T105 VanDerWaalsContact CG-CG2 3.48Å; I64-T105 CarbonylContact O-C 3.56Å; I64-T105 WeakPolarHBondContact O-CA 3.4Å; N65-T105 PolarHBondContact ND2-OG1 3.14Å; N65-T105 VanDerWaalsContact ND2-OG1 3.12Å
106W97.9Very high90.2Very high16 Ų1666.3 Ų66.36%0.06139%0.386CS..EExtended strand (participates in β ladder)trans-120.7120-177.7-175.310.2000110.1E63 I64 F66 F75 L77 F93 E94 F95E63-W106 CarbonylContact C-O 3.5Å; E63-W106 WeakPolarHBondContact CA-O 3.43Å; I64-W106 PolarHBondContact N-O 2.87Å; I64-W106 PolarHBondContact O-N 3.3Å; F66-W106 HydrophobicContact CE1-CB 4.2Å; F66-W106 HydrophobicContact CE1-CE3 4.25Å; F75-W106 HydrophobicContact CD1-CE3 4.44Å; F75-W106 AromaticContact CD1-CZ3 3.97Å; F75-W106 HydrophobicContact CD1-CZ3 3.97Å; F75-W106 AromaticContact CE1-CE3 3.99Å; F75-W106 HydrophobicContact CE1-CE3 3.99Å; F75-W106 AromaticContact CE1-CZ3 3.56Å; F75-W106 HydrophobicContact CE1-CZ3 3.56Å; F75-W106 HydrophobicContact CZ-CZ3 4.2Å; L77-W106 HydrophobicContact CB-CH2 4.47Å; L77-W106 HydrophobicContact CD2-CE3 4.31Å; L77-W106 HydrophobicContact CD2-CH2 3.73Å; L77-W106 HydrophobicContact CD2-CZ3 3.48Å; L77-W106 VanDerWaalsContact CD2-CZ3 3.48Å; L77-W106 HydrophobicContact CG-CH2 3.68Å; L77-W106 HydrophobicContact CG-CZ3 3.98Å; F93-W106 VanDerWaalsContact C-CZ2 3.41Å; F93-W106 HydrophobicContact CB-CH2 4.04Å; F93-W106 HydrophobicContact CB-CZ2 3.45Å; F93-W106 VanDerWaalsContact CB-CZ2 3.45Å; F93-W106 VanDerWaalsContact O-CH2 3.28Å; F93-W106 WeakPolarHBondContact O-CH2 3.39Å; F93-W106 VanDerWaalsContact O-CZ2 3.32Å; F93-W106 WeakPolarHBondContact O-CZ2 3.16Å; E94-W106 WeakPolarHBondContact O-CZ2 3.31Å; E94-W106 PolarHBondContact O-NE1 3.39Å; F95-W106 HydrophobicContact CB-CD2 3.87Å; F95-W106 HydrophobicContact CB-CE3 3.91Å; F95-W106 HydrophobicContact CB-CH2 3.87Å; F95-W106 HydrophobicContact CB-CZ2 3.82Å; F95-W106 HydrophobicContact CB-CZ3 3.9Å; F95-W106 HydrophobicContact CD2-CB 3.73Å; F95-W106 AromaticContact CD2-CD1 3.96Å; F95-W106 AromaticContact CD2-CD2 3.79Å; F95-W106 HydrophobicContact CD2-CD2 3.79Å; F95-W106 HydrophobicContact CD2-CE3 4.17Å; F95-W106 AromaticContact CD2-CG 3.6Å; F95-W106 HydrophobicContact CD2-CG 3.6Å; F95-W106 HydrophobicContact CE2-CB 4.05Å; F95-W106 HydrophobicContact CE2-CG 4.37Å; F95-W106 HydrophobicContact CG-CD2 4.28Å; F95-W106 HydrophobicContact CG-CE3 4.37Å
107Q97.5Very high88.7Confident128 Ų12874.2 Ų74.260%0.59841%0.412SS*.EExtended strand (participates in β ladder)trans-100.8141.1176-68.3175.7-23.500110.8R62 E63R62-Q107 CarbonylContact O-C 3.53Å; R62-Q107 WeakPolarHBondContact O-CA 3.44Å; E63-Q107 HydrophobicContact CB-CG 4.34Å; E63-Q107 HydrophobicContact CG-CG 3.9Å; E63-Q107 PolarHBondContact OE2-NE2 2.81Å
108S96.7Very high87.6Confident11 Ų1174.5 Ų74.58%0.07742%0.416CS..EExtended strand (participates in β ladder)trans-142.4153.1176.3-46.60000110R62R62-S108 PolarHBondContact N-O 3.03Å; R62-S108 PolarHBondContact NH2-OG 3.18Å; R62-S108 PolarHBondContact O-N 2.91Å
109L95.4Very high86.9Confident89 Ų8977.4 Ų77.447%0.46643%0.431SS..EExtended strand (participates in β ladder)trans-113.3129.2174.3-166.673.9000109.4A26 Q111A26-L109 HydrophobicContact CB-CD1 3.59Å; L109-Q111 HydrophobicContact CD2-CG 4.41Å
110I93.9Very high86.3Confident28 Ų2876.6 Ų76.614%0.14443%0.432CS..EExtended strand (participates in β ladder)trans-110116.4173.3-57171.2000106.7S59 V60 W91 F93S59-I110 CarbonylContact C-O 3.56Å; S59-I110 VanDerWaalsContact CA-O 3.26Å; S59-I110 WeakPolarHBondContact CA-O 3.27Å; V60-I110 HydrophobicContact CB-CB 4.49Å; V60-I110 PolarHBondContact N-O 2.95Å; V60-I110 PolarHBondContact O-N 3.25Å; W91-I110 HydrophobicContact CD2-CG2 4.44Å; W91-I110 HydrophobicContact CE3-CD1 4.37Å; W91-I110 HydrophobicContact CH2-CD1 4.47Å; W91-I110 HydrophobicContact CH2-CG2 3.95Å; W91-I110 HydrophobicContact CZ2-CG2 3.68Å; W91-I110 HydrophobicContact CZ3-CD1 4.09Å; W91-I110 HydrophobicContact CZ3-CG2 4.45Å; F93-I110 HydrophobicContact CZ-CG1 4.02Å
111Q89.9Confident85.8Confident148 Ų14874.7 Ų74.769%0.69242%0.422SS*.EExtended strand (participates in β ladder)trans-86.2135.7179.2-67.4-178.1-26.700109.9L109L109-Q111 HydrophobicContact CD2-CG 4.41Å
112S82.9Confident85.4Confident48 Ų4880.6 Ų80.634%0.33643%0.429SS..PPolyproline II helixtrans-76.2142.1171.4-58.90000109.7C57 K58C57-S112 WeakPolarHBondContact O-CB 3.48Å; C57-S112 PolarHBondContact O-OG 3.45Å; K58-S112 WeakPolarHBondContact O-CB 3.44Å; K58-S112 PolarHBondContact O-N 3.16Å; K58-S112 PolarHBondContact O-OG 3.43Å
113D72.6Confident85.1Confident84 Ų8482.3 Ų82.345%0.44944%0.439SS..PPolyproline II helixtrans-64163167.1-159.3-15.4000109.9R117D113-R117 WeakPolarHBondContact OD2-CD 3.48Å; D113-R117 IonicContact OD2-NH1 3.31Å; D113-R117 PolarHBondContact OD2-NH1 3.47Å
114S65.2Low84.9Confident60 Ų6079 Ų7942%0.4242%0.418SS..  trans-43.1137.4168540000112.2D116 R117S114-D116 PolarHBondContact O-N 3.18Å; S114-R117 PolarHBondContact O-N 2.85Å
115A60.9Low84.8Confident70 Ų7079.3 Ų79.358%0.57942%0.423SS*.G310 helixtrans-55.5-27.8-172.700000114R117 M118A115-R117 PolarHBondContact O-N 2.87Å; A115-M118 HydrophobicContact CB-CE 4.27Å; A115-M118 PolarHBondContact O-N 2.88Å
116D58.9Low84.7Confident163 Ų16376.5 Ų76.587%0.87241%0.408SS*.G310 helixtrans-68.3-14.4-178.8-60.2-27.6000113.5S114S114-D116 PolarHBondContact O-N 3.18Å
117R67Low84.7Confident178 Ų17878.1 Ų78.167%0.67242%0.418SS*.G310 helixtrans-1062.9179.2-66.8178.1175.7-176.91.3113.9D113 S114 A115 I119D113-R117 WeakPolarHBondContact OD2-CD 3.48Å; D113-R117 IonicContact OD2-NH1 3.31Å; D113-R117 PolarHBondContact OD2-NH1 3.47Å; S114-R117 PolarHBondContact O-N 2.85Å; A115-R117 PolarHBondContact O-N 2.87Å; R117-I119 PolarHBondContact O-N 3.17Å; R117-I119 VanDerWaalsContact O-N 3.16Å
118M74.7Confident84.7Confident105 Ų10572.2 Ų72.252%0.51739%0.391SS..  trans-71.1114.9-176.3-73.3-164.9-53.300112.2A115A115-M118 HydrophobicContact CB-CE 4.27Å; A115-M118 PolarHBondContact O-N 2.88Å
119I83Confident84.7Confident62 Ų6272.4 Ų72.432%0.31839%0.392SS..  trans-67.8133.1171.9-61.9151000108.9L83 R117 A121 V123 L124L83-I119 HydrophobicContact CD2-CD1 3.79Å; L83-I119 HydrophobicContact CD2-CG2 4.33Å; R117-I119 PolarHBondContact O-N 3.17Å; R117-I119 VanDerWaalsContact O-N 3.16Å; I119-A121 PolarHBondContact O-N 3.03Å; I119-V123 HydrophobicContact CG2-CB 3.79Å; I119-V123 HydrophobicContact CG2-CG1 3.75Å; I119-L124 HydrophobicContact CB-CD1 4.38Å; I119-L124 HydrophobicContact CB-CD2 3.77Å; I119-L124 HydrophobicContact CB-CG 4.03Å; I119-L124 HydrophobicContact CD1-CD2 4.17Å; I119-L124 HydrophobicContact CG2-CD2 3.62Å; I119-L124 HydrophobicContact CG2-CG 3.78Å; I119-L124 VanDerWaalsContact O-CD1 3.28Å; I119-L124 WeakPolarHBondContact O-CD1 3.4Å
120P86.6Confident84.9Confident84 Ų8469.5 Ų69.555%0.54538%0.376SS..  trans-58.7140.5-178.9-26.134.2000113K122 V123 L124P120-K122 PolarHBondContact O-N 2.9Å; P120-V123 HydrophobicContact CB-CG2 4.43Å; P120-V123 WeakPolarHBondContact O-CA 3.43Å; P120-V123 WeakPolarHBondContact O-CB 3.4Å; P120-V123 PolarHBondContact O-N 2.85Å; P120-L124 PolarHBondContact O-N 2.9Å; P120-L124 VanDerWaalsContact O-N 3.09Å
121A87.6Confident85.1Confident24 Ų2468.6 Ų68.620%0.19837%0.372CS..Hα-helixtrans-52-33.517900000113.9R52 L55 I119 V123 L124 S125R52-A121 HydrophobicContact CG-CB 4.28Å; L55-A121 HydrophobicContact CD1-CB 3.48Å; L55-A121 VanDerWaalsContact CD1-CB 3.48Å; I119-A121 PolarHBondContact O-N 3.03Å; A121-V123 VanDerWaalsContact C-N 3.28Å; A121-V123 PolarHBondContact O-N 3.32Å; A121-L124 PolarHBondContact O-N 3.18Å; A121-S125 VanDerWaalsContact O-CB 3.3Å; A121-S125 WeakPolarHBondContact O-CB 3.49Å; A121-S125 PolarHBondContact O-N 3.21Å
122K89.7Confident85.5Confident187 Ų18761.8 Ų61.881%0.81334%0.341SS*.Hα-helixtrans-63.9-32.8176.7-172.4-179.1179.6-176.40112.6P120P120-K122 PolarHBondContact O-N 2.9Å
123V91.1Very high86.2Confident56 Ų5660.1 Ų60.134%0.33933%0.327SS..Hα-helixtrans-80.4-38.3175.5178.50000110.1I119 P120 A121 N127I119-V123 HydrophobicContact CG2-CB 3.79Å; I119-V123 HydrophobicContact CG2-CG1 3.75Å; P120-V123 HydrophobicContact CB-CG2 4.43Å; P120-V123 WeakPolarHBondContact O-CA 3.43Å; P120-V123 WeakPolarHBondContact O-CB 3.4Å; P120-V123 PolarHBondContact O-N 2.85Å; A121-V123 VanDerWaalsContact C-N 3.28Å; A121-V123 PolarHBondContact O-N 3.32Å; V123-N127 WeakPolarHBondContact O-CB 3.21Å; V123-N127 PolarHBondContact O-ND2 2.83Å
124L94Very high87.4Confident14 Ų1456.5 Ų56.57%0.07331%0.308CS..Hα-helixtrans-70.4-42.2-179.3-64.5175.1000113.3L55 L83 I119 P120 A121 G126 N127 V128 Y150L55-L124 HydrophobicContact CD1-CD1 3.97Å; L55-L124 HydrophobicContact CD2-CD1 3.8Å; L83-L124 HydrophobicContact CD1-CD2 4.26Å; I119-L124 HydrophobicContact CB-CD1 4.38Å; I119-L124 HydrophobicContact CB-CD2 3.77Å; I119-L124 HydrophobicContact CB-CG 4.03Å; I119-L124 HydrophobicContact CD1-CD2 4.17Å; I119-L124 HydrophobicContact CG2-CD2 3.62Å; I119-L124 HydrophobicContact CG2-CG 3.78Å; I119-L124 VanDerWaalsContact O-CD1 3.28Å; I119-L124 WeakPolarHBondContact O-CD1 3.4Å; P120-L124 PolarHBondContact O-N 2.9Å; P120-L124 VanDerWaalsContact O-N 3.09Å; A121-L124 PolarHBondContact O-N 3.18Å; L124-G126 PolarHBondContact O-N 2.63Å; L124-N127 PolarHBondContact O-N 2.8Å; L124-V128 HydrophobicContact CB-CG2 3.96Å; L124-V128 HydrophobicContact CD2-CG2 3.66Å; L124-V128 HydrophobicContact CG-CG2 4.41Å; L124-V128 PolarHBondContact O-N 3.46Å; L124-V128 VanDerWaalsContact O-N 3.08Å; L124-Y150 HydrophobicContact CB-CD2 3.72Å; L124-Y150 HydrophobicContact CB-CE2 3.54Å; L124-Y150 HydrophobicContact CD1-CE2 4.21Å; L124-Y150 HydrophobicContact CG-CE2 4.48Å
125S96.2Very high89Confident37 Ų3755.5 Ų55.526%0.25930%0.295SS..THydrogen-bonded Turntrans-60.3121.4-170.9-172.10000112.6A121 N127 Y150A121-S125 VanDerWaalsContact O-CB 3.3Å; A121-S125 WeakPolarHBondContact O-CB 3.49Å; A121-S125 PolarHBondContact O-N 3.21Å; S125-N127 PolarHBondContact O-N 3.34Å; S125-Y150 PolarHBondContact OG-N 3.1Å
126G97.2Very high90.8Very high14 Ų1452.6 Ų52.614%0.14427%0.27CS..THydrogen-bonded Turntrans77.9-11.4-177.700000114.4L124 R147 I148L124-G126 PolarHBondContact O-N 2.63Å; G126-R147 WeakPolarHBondContact O-CD 3.46Å; G126-R147 PolarHBondContact O-NH1 2.83Å; G126-I148 PolarHBondContact N-O 3.48Å
127N97.5Very high92.5Very high50 Ų5045.9 Ų45.927%0.26724%0.239SC..THydrogen-bonded Turntrans-103.1-13.2-179.7-63.5-43.8000113.1L83 R84 V123 L124 S125L83-N127 HydrophobicContact CD1-CB 3.72Å; R84-N127 HydrophobicContact CG-CB 4.03Å; R84-N127 PolarHBondContact N-O 3.31Å; R84-N127 VanDerWaalsContact N-O 3.1Å; V123-N127 WeakPolarHBondContact O-CB 3.21Å; V123-N127 PolarHBondContact O-ND2 2.83Å; L124-N127 PolarHBondContact O-N 2.8Å; S125-N127 PolarHBondContact O-N 3.34Å
128V97.1Very high93.9Very high4 Ų445.4 Ų45.42%0.02425%0.25CC..EExtended strand (participates in β ladder)trans-87.5126.7173.8175.10000110.5V81 F82 L83 L124 I130 R147 I148 Y150V81-V128 HydrophobicContact CG1-CG1 3.88Å; F82-V128 CarbonylContact O-C 3.56Å; F82-V128 VanDerWaalsContact O-CA 3.23Å; F82-V128 WeakPolarHBondContact O-CA 3.41Å; L83-V128 HydrophobicContact CD1-CG2 4.25Å; L124-V128 HydrophobicContact CB-CG2 3.96Å; L124-V128 HydrophobicContact CD2-CG2 3.66Å; L124-V128 HydrophobicContact CG-CG2 4.41Å; L124-V128 PolarHBondContact O-N 3.46Å; L124-V128 VanDerWaalsContact O-N 3.08Å; V128-I130 HydrophobicContact CG1-CG1 4.35Å; V128-R147 WeakPolarHBondContact O-CA 3.44Å; V128-I148 HydrophobicContact CB-CB 4.21Å; V128-I148 HydrophobicContact CG1-CB 4.2Å; V128-I148 HydrophobicContact CG1-CG1 3.98Å; V128-I148 PolarHBondContact O-N 3.02Å; V128-Y150 HydrophobicContact CG2-CE2 4.46Å
129V98.2Very high94.9Very high16 Ų1641.8 Ų41.810%0.09723%0.232CC..EExtended strand (participates in β ladder)trans-122.7124.5169.4179.90000108.3F82 V131 K145 V146 R147F82-V129 PolarHBondContact N-O 2.75Å; F82-V129 PolarHBondContact O-N 2.91Å; V129-V131 HydrophobicContact CG1-CG2 4.15Å; V129-K145 HydrophobicContact CG1-CB 4.34Å; V129-V146 WeakPolarHBondContact CA-O 3.3Å; V129-R147 HydrophobicContact CG2-CB 4.37Å; V129-R147 HydrophobicContact CG2-CG 4.33Å; V129-R147 VanDerWaalsContact CG2-CZ 3.49Å
130I97.9Very high95.6Very high28 Ų2842.6 Ų42.614%0.14424%0.237CC..EExtended strand (participates in β ladder)trans-96.7120.6171-55.8178.9000107.3Q79 E80 V81 W91 V128 K145 V146 I148Q79-I130 HydrophobicContact CB-CG2 4.04Å; Q79-I130 HydrophobicContact CG-CG2 4.38Å; E80-I130 WeakPolarHBondContact O-CA 3.22Å; V81-I130 HydrophobicContact CG1-CG1 4.46Å; V81-I130 HydrophobicContact CG2-CG1 4.39Å; W91-I130 HydrophobicContact CZ3-CD1 4.34Å; V128-I130 HydrophobicContact CG1-CG1 4.35Å; I130-K145 WeakPolarHBondContact O-CA 3.48Å; I130-V146 PolarHBondContact N-O 3.09Å; I130-V146 PolarHBondContact O-N 2.9Å; I130-I148 HydrophobicContact CD1-CD1 4.03Å; I130-I148 HydrophobicContact CD1-CG1 3.98Å; I130-I148 HydrophobicContact CG1-CD1 4.43Å; I130-I148 HydrophobicContact CG1-CG1 4.09Å
131V98.4Very high96Very high8 Ų839.3 Ų39.35%0.04822%0.215CC..EExtended strand (participates in β ladder)trans-101.6119.4175.81780000107.4Q79 E80 F82 V129 K143 S144 K145Q79-V131 CarbonylContact C-O 3.58Å; Q79-V131 VanDerWaalsContact CA-O 3.29Å; Q79-V131 WeakPolarHBondContact CA-O 3.37Å; E80-V131 HydrophobicContact CB-CB 4.43Å; E80-V131 PolarHBondContact N-O 2.68Å; E80-V131 PolarHBondContact O-N 3.12Å; F82-V131 HydrophobicContact CD2-CB 4.37Å; F82-V131 HydrophobicContact CD2-CG2 3.68Å; F82-V131 HydrophobicContact CE2-CB 3.99Å; F82-V131 HydrophobicContact CE2-CG2 3.58Å; V129-V131 HydrophobicContact CG1-CG2 4.15Å; V131-K143 HydrophobicContact CG1-CD 4.23Å; V131-K143 HydrophobicContact CG1-CG 4.01Å; V131-S144 WeakPolarHBondContact CA-O 3.25Å; V131-K145 HydrophobicContact CG2-CG 4.26Å
132T98.4Very high96.4Very high6 Ų638.7 Ų38.74%0.03721%0.209CC..EExtended strand (participates in β ladder)trans-109.2123.2-179.3-55.20000110L77 E78 Q79 F134 K143 S144L77-T132 HydrophobicContact CB-CG2 4.05Å; L77-T132 HydrophobicContact CD1-CG2 4.16Å; L77-T132 HydrophobicContact CD2-CG2 4.29Å; L77-T132 HydrophobicContact CG-CG2 4.42Å; E78-T132 CarbonylContact O-C 3.54Å; E78-T132 WeakPolarHBondContact O-CA 3.43Å; Q79-T132 HydrophobicContact CG-CG2 4.05Å; Q79-T132 PolarHBondContact NE2-OG1 3.01Å; T132-F134 HydrophobicContact CG2-CD1 4.43Å; T132-F134 HydrophobicContact CG2-CD2 4.1Å; T132-F134 HydrophobicContact CG2-CE1 4.01Å; T132-F134 HydrophobicContact CG2-CE2 3.64Å; T132-F134 HydrophobicContact CG2-CG 4.49Å; T132-F134 HydrophobicContact CG2-CZ 3.6Å; T132-K143 CarbonylContact O-C 3.58Å; T132-K143 VanDerWaalsContact O-CA 3.29Å; T132-K143 WeakPolarHBondContact O-CA 3.45Å; T132-S144 PolarHBondContact N-O 3.27Å; T132-S144 PolarHBondContact O-N 3.1Å
133H98.4Very high96.8Very high13 Ų1333.8 Ų33.86%0.0619%0.188CC..EExtended strand (participates in β ladder)trans-99.4121.4170.9-57.896.7000108.5L77 E78 E80 Y135 L140 K143L77-H133 CarbonylContact C-O 3.38Å; L77-H133 WeakPolarHBondContact CA-O 3.08Å; L77-H133 WeakPolarHBondContact CB-O 3.5Å; E78-H133 HydrophobicContact CB-CB 4.36Å; E78-H133 PolarHBondContact N-O 2.9Å; E78-H133 PolarHBondContact O-N 2.85Å; E78-H133 IonicContact OE2-ND1 3.8Å; E80-H133 IonicContact OE1-CE1 2.82Å; E80-H133 PolarHBondContact OE1-CE1 3.08Å; H133-Y135 HydrophobicContact CB-CD2 4.12Å; H133-Y135 HydrophobicContact CB-CE2 3.37Å; H133-L140 HydrophobicContact CB-CD1 3.81Å; H133-K143 WeakPolarHBondContact NE2-CD 3.23Å; H133-K143 WeakPolarHBondContact NE2-CE 3.28Å; H133-K143 PolarHBondContact NE2-NZ 2.77Å
134F98.1Very high97.2Very high8 Ų831.2 Ų31.24%0.03517%0.172CC..EExtended strand (participates in β ladder)trans-98.4128.7176.5-64.8-86.9000109.5F16 L18 F75 L77 T132 V141 S142F16-F134 HydrophobicContact CE1-CD1 4.48Å; F16-F134 HydrophobicContact CE1-CE1 4.28Å; F16-F134 HydrophobicContact CZ-CD1 4.44Å; F16-F134 HydrophobicContact CZ-CE1 4.36Å; L18-F134 HydrophobicContact CD1-CZ 4.44Å; F75-F134 HydrophobicContact CE2-CB 4.29Å; F75-F134 AromaticContact CE2-CD1 3.87Å; F75-F134 HydrophobicContact CE2-CD1 3.87Å; F75-F134 AromaticContact CZ-CD1 3.74Å; F75-F134 HydrophobicContact CZ-CD1 3.74Å; F75-F134 HydrophobicContact CZ-CE1 4.31Å; L77-F134 HydrophobicContact CB-CD1 4.26Å; L77-F134 HydrophobicContact CD2-CD1 4.38Å; L77-F134 HydrophobicContact CD2-CE1 4.02Å; T132-F134 HydrophobicContact CG2-CD1 4.43Å; T132-F134 HydrophobicContact CG2-CD2 4.1Å; T132-F134 HydrophobicContact CG2-CE1 4.01Å; T132-F134 HydrophobicContact CG2-CE2 3.64Å; T132-F134 HydrophobicContact CG2-CG 4.49Å; T132-F134 HydrophobicContact CG2-CZ 3.6Å; F134-V141 WeakPolarHBondContact O-CB 3.28Å; F134-V141 PolarHBondContact O-N 3.02Å; F134-S142 VanDerWaalsContact CD2-OG 3.29Å; F134-S142 WeakPolarHBondContact CD2-OG 3.25Å; F134-S142 PolarHBondContact N-O 3.43Å; F134-S142 PolarHBondContact O-N 3.3Å
135Y98.2Very high97.4Very high39 Ų3935 Ų3515%0.15319%0.188CC..EExtended strand (participates in β ladder)trans-124.9150.5-175.4-68.2-86.7000112.7F75 W76 E78 H133 L139 L140F75-Y135 WeakPolarHBondContact CA-O 3.47Å; F75-Y135 WeakPolarHBondContact CD2-O 3.48Å; W76-Y135 AromaticContact CD2-CD2 3.98Å; W76-Y135 HydrophobicContact CD2-CD2 3.98Å; W76-Y135 HydrophobicContact CD2-CG 4.22Å; W76-Y135 AromaticContact CE2-CD2 3.7Å; W76-Y135 AromaticContact CE2-CG 3.58Å; W76-Y135 HydrophobicContact CE3-CD2 4.04Å; W76-Y135 AromaticContact CH2-CD2 3.56Å; W76-Y135 HydrophobicContact CH2-CD2 3.56Å; W76-Y135 AromaticContact CH2-CE2 3.62Å; W76-Y135 HydrophobicContact CH2-CE2 3.62Å; W76-Y135 HydrophobicContact CH2-CG 4.05Å; W76-Y135 AromaticContact CZ2-CD1 3.9Å; W76-Y135 HydrophobicContact CZ2-CD1 3.9Å; W76-Y135 AromaticContact CZ2-CD2 3.48Å; W76-Y135 HydrophobicContact CZ2-CD2 3.48Å; W76-Y135 VanDerWaalsContact CZ2-CD2 3.48Å; W76-Y135 HydrophobicContact CZ2-CE1 4.33Å; W76-Y135 AromaticContact CZ2-CE2 3.92Å; W76-Y135 HydrophobicContact CZ2-CE2 3.92Å; W76-Y135 AromaticContact CZ2-CG 3.47Å; W76-Y135 HydrophobicContact CZ2-CG 3.47Å; W76-Y135 VanDerWaalsContact CZ2-CG 3.47Å; W76-Y135 AromaticContact CZ3-CD2 3.86Å; W76-Y135 HydrophobicContact CZ3-CD2 3.86Å; W76-Y135 HydrophobicContact CZ3-CE2 4.02Å; W76-Y135 PolarHBondContact N-O 3.39Å; W76-Y135 VanDerWaalsContact N-O 3.14Å; W76-Y135 AromaticContact NE1-CG 3.9Å; W76-Y135 PolarHBondContact O-N 2.87Å; E78-Y135 HydrophobicContact CB-CE2 4.13Å; H133-Y135 HydrophobicContact CB-CD2 4.12Å; H133-Y135 HydrophobicContact CB-CE2 3.37Å; Y135-L139 CarbonylContact C-O 3.56Å; Y135-L139 VanDerWaalsContact CA-O 3.24Å; Y135-L139 WeakPolarHBondContact CA-O 3.36Å; Y135-L140 HydrophobicContact CD1-CB 4.06Å; Y135-L140 HydrophobicContact CD1-CD1 4.21Å; Y135-L140 HydrophobicContact CE1-CB 3.71Å; Y135-L140 HydrophobicContact CE1-CD1 3.77Å; Y135-L140 HydrophobicContact CE1-CG 4.29Å; Y135-L140 HydrophobicContact CE2-CD1 4.28Å
136D97.7Very high97.5Very high9 Ų933.9 Ų33.95%0.04818%0.18CC..EExtended strand (participates in β ladder)trans-121.698162.5177.933.3000109K8 L72 E73 N74 D138 L139 V141K8-D136 WeakPolarHBondContact CE-OD2 3.45Å; K8-D136 IonicContact NZ-OD2 3.01Å; K8-D136 PolarHBondContact NZ-OD2 2.86Å; L72-D136 HydrophobicContact CD2-CB 4.11Å; E73-D136 PolarHBondContact N-OD1 2.85Å; N74-D136 PolarHBondContact N-OD1 3.36Å; N74-D136 CarbonylContact O-C 3.55Å; N74-D136 WeakPolarHBondContact O-CA 3.43Å; D136-D138 PolarHBondContact O-N 2.92Å; D136-L139 PolarHBondContact N-O 2.84Å; D136-L139 VanDerWaalsContact O-CB 3.3Å; D136-L139 WeakPolarHBondContact O-CB 3.45Å; D136-L139 PolarHBondContact O-N 3Å; D136-L139 VanDerWaalsContact O-N 3.09Å; D136-V141 HydrophobicContact CB-CG2 4.17Å
137G96.4Very high97.5Very high22 Ų2236.2 Ų36.223%0.22718%0.184CC..THydrogen-bonded Turntrans59.5-124.2-164.400000110.4N74 W76 L139N74-G137 PolarHBondContact O-N 3.09Å; W76-G137 PolarHBondContact NE1-O 2.82Å; G137-L139 VanDerWaalsContact C-N 3.32Å
138D95.9Very high97.6Very high167 Ų16734.4 Ų34.489%0.89318%0.175SC*.THydrogen-bonded Turntrans-84.8-5177.7-60.9-37.2000113.4D136 L140D136-D138 PolarHBondContact O-N 2.92Å; D138-L140 PolarHBondContact O-N 3.28Å
139L95.9Very high97.6Very high30 Ų3036.5 Ų36.516%0.15718%0.183CC..EExtended strand (participates in β ladder)trans-81.5111.9-176.8-176.367.6000110.6D5 K8 C9 I12 Y135 D136 G137 V141D5-L139 HydrophobicContact CB-CD1 3.83Å; K8-L139 HydrophobicContact CB-CD2 4.38Å; K8-L139 HydrophobicContact CD-CD2 3.72Å; K8-L139 HydrophobicContact CG-CD2 3.91Å; C9-L139 WeakPolarHBondContact SG-CD1 3.31Å; C9-L139 VanDerWaalsContact SG-CG 3.55Å; I12-L139 HydrophobicContact CD1-CD2 4.38Å; Y135-L139 CarbonylContact C-O 3.56Å; Y135-L139 VanDerWaalsContact CA-O 3.24Å; Y135-L139 WeakPolarHBondContact CA-O 3.36Å; D136-L139 PolarHBondContact N-O 2.84Å; D136-L139 VanDerWaalsContact O-CB 3.3Å; D136-L139 WeakPolarHBondContact O-CB 3.45Å; D136-L139 PolarHBondContact O-N 3Å; D136-L139 VanDerWaalsContact O-N 3.09Å; G137-L139 VanDerWaalsContact C-N 3.32Å; L139-V141 PolarHBondContact O-N 2.86Å; L139-V141 VanDerWaalsContact O-N 3.14Å
140L96.7Very high97.5Very high79 Ų7937.2 Ų37.241%0.41418%0.184SC..EExtended strand (participates in β ladder)trans-70.1105.9167.8178.962.5000109.7C9 H133 Y135 D138C9-L140 PolarHBondContact SG-O 3.23Å; H133-L140 HydrophobicContact CB-CD1 3.81Å; Y135-L140 HydrophobicContact CD1-CB 4.06Å; Y135-L140 HydrophobicContact CD1-CD1 4.21Å; Y135-L140 HydrophobicContact CE1-CB 3.71Å; Y135-L140 HydrophobicContact CE1-CD1 3.77Å; Y135-L140 HydrophobicContact CE1-CG 4.29Å; Y135-L140 HydrophobicContact CE2-CD1 4.28Å; D138-L140 PolarHBondContact O-N 3.28Å
141V96.4Very high97.4Very high15 Ų1541 Ų419%0.09121%0.209CC..EExtended strand (participates in β ladder)trans-76.9-50.3-179.31740000110.8I12 F134 D136 L139I12-V141 HydrophobicContact CB-CG1 3.86Å; I12-V141 HydrophobicContact CD1-CG2 3.92Å; I12-V141 HydrophobicContact CG2-CB 4.47Å; I12-V141 HydrophobicContact CG2-CG1 3.43Å; I12-V141 VanDerWaalsContact CG2-CG1 3.43Å; I12-V141 HydrophobicContact CG2-CG2 4.21Å; F134-V141 WeakPolarHBondContact O-CB 3.28Å; F134-V141 PolarHBondContact O-N 3.02Å; D136-V141 HydrophobicContact CB-CG2 4.17Å; L139-V141 PolarHBondContact O-N 2.86Å; L139-V141 VanDerWaalsContact O-N 3.14Å
142S95.8Very high97.3Very high10 Ų1042.7 Ų42.77%0.0722%0.217CC..EExtended strand (participates in β ladder)trans-160.2163.8-175.572.10000112.2F134F134-S142 VanDerWaalsContact CD2-OG 3.29Å; F134-S142 WeakPolarHBondContact CD2-OG 3.25Å; F134-S142 PolarHBondContact N-O 3.43Å; F134-S142 PolarHBondContact O-N 3.3Å
143K97.7Very high97.2Very high85 Ų8544.6 Ų44.637%0.3723%0.226SC..EExtended strand (participates in β ladder)trans-134.5114.4179178.9177.6-174.9143.50109.8P42 V131 T132 H133P42-K143 WeakPolarHBondContact CA-O 3.4Å; P42-K143 WeakPolarHBondContact CB-O 3.33Å; V131-K143 HydrophobicContact CG1-CD 4.23Å; V131-K143 HydrophobicContact CG1-CG 4.01Å; T132-K143 CarbonylContact O-C 3.58Å; T132-K143 VanDerWaalsContact O-CA 3.29Å; T132-K143 WeakPolarHBondContact O-CA 3.45Å; H133-K143 WeakPolarHBondContact NE2-CD 3.23Å; H133-K143 WeakPolarHBondContact NE2-CE 3.28Å; H133-K143 PolarHBondContact NE2-NZ 2.77Å
144S98.2Very high97.2Very high1 Ų146.3 Ų46.31%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-111.6161.3177.378.80000112.4F39 V131 T132F39-S144 WeakPolarHBondContact O-CB 3.32Å; F39-S144 PolarHBondContact O-OG 2.88Å; V131-S144 WeakPolarHBondContact CA-O 3.25Å; T132-S144 PolarHBondContact N-O 3.27Å; T132-S144 PolarHBondContact O-N 3.1Å
145K98.5Very high97.1Very high94 Ų9448.6 Ų48.641%0.40925%0.247SC..EExtended strand (participates in β ladder)trans-131.6130.8-178.4-61.1-175179.7175.80110.9E45 H46 V129 I130 V131E45-K145 HydrophobicContact CG-CB 4.34Å; H46-K145 PolarHBondContact CD2-O 3.22Å; H46-K145 VanDerWaalsContact CD2-O 3.3Å; H46-K145 PolarHBondContact N-O 2.97Å; V129-K145 HydrophobicContact CG1-CB 4.34Å; I130-K145 WeakPolarHBondContact O-CA 3.48Å; V131-K145 HydrophobicContact CG2-CG 4.26Å
146V98.6Very high97.1Very high13 Ų1349.2 Ų49.28%0.07925%0.253CS..EExtended strand (participates in β ladder)trans-126.6117.2176.7-168.20000109.9F39 H46 A48 V129 I130 I148F39-V146 HydrophobicContact CB-CG2 4.04Å; F39-V146 HydrophobicContact CD1-CG1 4.07Å; F39-V146 HydrophobicContact CD1-CG2 3.88Å; F39-V146 HydrophobicContact CE1-CG1 4.18Å; F39-V146 HydrophobicContact CG-CG2 4.23Å; H46-V146 HydrophobicContact CB-CB 4.41Å; H46-V146 HydrophobicContact CB-CG1 4.18Å; H46-V146 HydrophobicContact CB-CG2 4.14Å; A48-V146 HydrophobicContact CB-CG1 3.85Å; V129-V146 WeakPolarHBondContact CA-O 3.3Å; I130-V146 PolarHBondContact N-O 3.09Å; I130-V146 PolarHBondContact O-N 2.9Å; V146-I148 HydrophobicContact CB-CD1 4.45Å; V146-I148 HydrophobicContact CG1-CD1 3.89Å
147R98.4Very high97Very high63 Ų6351.9 Ų51.924%0.23827%0.267CS..EExtended strand (participates in β ladder)trans-84.3129.9171-172.4175.9-62.1-75.8-11.4110.4E45 H46 K47 A48 G126 V128 V129 F149E45-R147 VanDerWaalsContact CD-NH2 3.28Å; E45-R147 HydrophobicContact CG-CB 4.28Å; E45-R147 IonicContact OE1-CZ 3.32Å; E45-R147 IonicContact OE1-NE 2.68Å; E45-R147 PolarHBondContact OE1-NE 2.86Å; E45-R147 IonicContact OE1-NH2 3.12Å; E45-R147 PolarHBondContact OE1-NH2 3.09Å; E45-R147 VanDerWaalsContact OE1-NH2 3.12Å; E45-R147 IonicContact OE2-CZ 3.63Å; E45-R147 IonicContact OE2-NE 3.75Å; E45-R147 IonicContact OE2-NH2 2.75Å; E45-R147 PolarHBondContact OE2-NH2 3.31Å; H46-R147 PolarHBondContact O-N 2.8Å; K47-R147 WeakPolarHBondContact CA-O 3.42Å; A48-R147 PolarHBondContact N-O 2.82Å; G126-R147 WeakPolarHBondContact O-CD 3.46Å; G126-R147 PolarHBondContact O-NH1 2.83Å; V128-R147 WeakPolarHBondContact O-CA 3.44Å; V129-R147 HydrophobicContact CG2-CB 4.37Å; V129-R147 HydrophobicContact CG2-CG 4.33Å; V129-R147 VanDerWaalsContact CG2-CZ 3.49Å; R147-F149 HydrophobicContact CB-CE2 4.11Å; R147-F149 HydrophobicContact CG-CD2 4.43Å; R147-F149 HydrophobicContact CG-CE2 3.69Å; R147-F149 HydrophobicContact CG-CZ 3.99Å
148I98Very high97.1Very high13 Ų1354 Ų547%0.06727%0.27CS..EExtended strand (participates in β ladder)trans-100128.1-175.4-49.4-57.7000110.7A48 V50 G126 V128 I130 V146 Y150A48-I148 HydrophobicContact CB-CD1 3.91Å; V50-I148 HydrophobicContact CG2-CG2 3.52Å; G126-I148 PolarHBondContact N-O 3.48Å; V128-I148 HydrophobicContact CB-CB 4.21Å; V128-I148 HydrophobicContact CG1-CB 4.2Å; V128-I148 HydrophobicContact CG1-CG1 3.98Å; V128-I148 PolarHBondContact O-N 3.02Å; I130-I148 HydrophobicContact CD1-CD1 4.03Å; I130-I148 HydrophobicContact CD1-CG1 3.98Å; I130-I148 HydrophobicContact CG1-CD1 4.43Å; I130-I148 HydrophobicContact CG1-CG1 4.09Å; V146-I148 HydrophobicContact CB-CD1 4.45Å; V146-I148 HydrophobicContact CG1-CD1 3.89Å; I148-Y150 HydrophobicContact CB-CE2 4.39Å; I148-Y150 HydrophobicContact CG2-CD2 4.23Å; I148-Y150 HydrophobicContact CG2-CE1 4.17Å; I148-Y150 HydrophobicContact CG2-CE2 3.72Å
149F98.1Very high97.1Very high47 Ų4745.3 Ų45.321%0.20622%0.222CC..EExtended strand (participates in β ladder)trans-114.6122172.8-65.3-93.6000108.9K47 A48 H49 V50 R147 V151K47-F149 HydrophobicContact CB-CD2 4.36Å; K47-F149 HydrophobicContact CB-CE2 4.11Å; K47-F149 HydrophobicContact CD-CE2 3.91Å; K47-F149 HydrophobicContact CD-CZ 4.42Å; K47-F149 HydrophobicContact CG-CE2 3.92Å; A48-F149 PolarHBondContact O-N 2.89Å; H49-F149 CarbonylContact C-O 3.48Å; H49-F149 WeakPolarHBondContact CA-O 3.3Å; V50-F149 PolarHBondContact N-O 2.84Å; R147-F149 HydrophobicContact CB-CE2 4.11Å; R147-F149 HydrophobicContact CG-CD2 4.43Å; R147-F149 HydrophobicContact CG-CE2 3.69Å; R147-F149 HydrophobicContact CG-CZ 3.99Å; F149-V151 PolarHBondContact O-N 3.16Å
150Y96Very high97.2Very high31 Ų3146.6 Ų46.612%0.12223%0.227CC..EExtended strand (participates in β ladder)trans-92.999.2179.5-66.4-84.2000110.1V50 R52 I54 L55 L124 S125 V128 I148V50-Y150 HydrophobicContact CG2-CD1 3.52Å; V50-Y150 HydrophobicContact CG2-CE1 3.61Å; V50-Y150 HydrophobicContact CG2-CG 4.25Å; V50-Y150 CarbonylContact O-C 3.54Å; V50-Y150 VanDerWaalsContact O-CA 3.31Å; V50-Y150 WeakPolarHBondContact O-CA 3.32Å; R52-Y150 WeakPolarHBondContact CG-O 3.24Å; R52-Y150 PolarHBondContact NE-O 3.35Å; R52-Y150 VanDerWaalsContact NE-O 3.1Å; I54-Y150 HydrophobicContact CG2-CD1 4.04Å; I54-Y150 HydrophobicContact CG2-CE1 3.76Å; L55-Y150 HydrophobicContact CD1-CD1 3.63Å; L55-Y150 HydrophobicContact CD1-CD2 4.46Å; L55-Y150 HydrophobicContact CD1-CE1 3.83Å; L55-Y150 HydrophobicContact CD1-CG 3.97Å; L55-Y150 HydrophobicContact CD2-CD1 4.17Å; L55-Y150 HydrophobicContact CD2-CE1 3.47Å; L55-Y150 VanDerWaalsContact CD2-CE1 3.47Å; L55-Y150 HydrophobicContact CG-CD1 3.75Å; L55-Y150 HydrophobicContact CG-CE1 3.55Å; L124-Y150 HydrophobicContact CB-CD2 3.72Å; L124-Y150 HydrophobicContact CB-CE2 3.54Å; L124-Y150 HydrophobicContact CD1-CE2 4.21Å; L124-Y150 HydrophobicContact CG-CE2 4.48Å; S125-Y150 PolarHBondContact OG-N 3.1Å; V128-Y150 HydrophobicContact CG2-CE2 4.46Å; I148-Y150 HydrophobicContact CB-CE2 4.39Å; I148-Y150 HydrophobicContact CG2-CD2 4.23Å; I148-Y150 HydrophobicContact CG2-CE1 4.17Å; I148-Y150 HydrophobicContact CG2-CE2 3.72Å
151V94.5Very high97.3Very high108 Ų10843.6 Ų43.666%0.65521%0.21SC*.  trans-95.10-175.4-62.60000113.4H49 V50 P51 R52 F149H49-V151 HydrophobicContact CB-CG1 4.22Å; H49-V151 HydrophobicContact CB-CG2 4.17Å; V50-V151 PolarHBondContact O-N 3.06Å; P51-V151 CarbonylContact C-O 3.56Å; P51-V151 VanDerWaalsContact CA-O 3.25Å; P51-V151 WeakPolarHBondContact CA-O 3.4Å; R52-V151 WeakPolarHBondContact CG-O 3.46Å; R52-V151 PolarHBondContact N-O 3.1Å; F149-V151 PolarHBondContact O-N 3.16Å

Retrieved 151 of 151 residues in 79.3 ms (Link to these results)

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