A0A077ZJ77_TRITR Loading...

HycA repressor domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ77, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 153 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
1M79.7Confident95Very high162 Ų162109.1 Ų109.180%0.79855%0.547SS*.  0125.70-162.2176.4-60.200107.9E5 I6M1-E5 VanDerWaalsContact C-OE2 3.27Å; M1-E5 WeakPolarHBondContact CA-OE2 3.33Å; M1-E5 HydrophobicContact CG-CB 4.02Å; M1-E5 WeakPolarHBondContact CG-OE2 3.46Å; M1-I6 HydrophobicContact CG-CD1 4.45Å; M1-I6 HydrophobicContact CG-CG1 3.95Å; M1-I6 HydrophobicContact SD-CD1 4.26Å; M1-I6 HydrophobicContact SD-CG1 3.64Å
2T94Very high95.2Very high73 Ų73110.3 Ų110.345%0.44854%0.542SS..  trans-91.9164.3-179.470.80000110.9W4 E5 I6T2-W4 PolarHBondContact O-N 2.93Å; T2-W4 PolarHBondContact OG1-N 3.3Å; T2-E5 PolarHBondContact N-OE2 3.05Å; T2-E5 PolarHBondContact O-N 3.05Å; T2-E5 WeakPolarHBondContact OG1-CG 3.44Å; T2-E5 PolarHBondContact OG1-N 3.09Å; T2-I6 PolarHBondContact O-N 3.34Å
3I95Very high95.3Very high134 Ų134108.3 Ų108.369%0.68753%0.533SS*.Hα-helixtrans-58.4-35.5172.7-170.5167.8000112I6 S7I3-I6 PolarHBondContact O-N 3.32Å; I3-S7 PolarHBondContact O-N 2.85Å
4W95.8Very high95.4Very high195 Ų195103.7 Ų103.774%0.73952%0.521SS*.Hα-helixtrans-64.2-47177.4-66.5114.2000111.8T2 I6 S7 E8T2-W4 PolarHBondContact O-N 2.93Å; T2-W4 PolarHBondContact OG1-N 3.3Å; W4-I6 PolarHBondContact O-N 3.09Å; W4-S7 WeakPolarHBondContact O-CB 3.49Å; W4-S7 PolarHBondContact O-N 3.49Å; W4-S7 VanDerWaalsContact O-N 3.1Å; W4-E8 WeakPolarHBondContact O-CG 3.29Å; W4-E8 PolarHBondContact O-N 3.26Å
5E96.3Very high95.4Very high88 Ų88104.9 Ų104.941%0.41153%0.525SS..Hα-helixtrans-62-33176.9-68.6171.4146.800112.4M1 T2 K9M1-E5 VanDerWaalsContact C-OE2 3.27Å; M1-E5 WeakPolarHBondContact CA-OE2 3.33Å; M1-E5 HydrophobicContact CG-CB 4.02Å; M1-E5 WeakPolarHBondContact CG-OE2 3.46Å; T2-E5 PolarHBondContact N-OE2 3.05Å; T2-E5 PolarHBondContact O-N 3.05Å; T2-E5 WeakPolarHBondContact OG1-CG 3.44Å; T2-E5 PolarHBondContact OG1-N 3.09Å; E5-K9 VanDerWaalsContact O-CG 3.3Å; E5-K9 WeakPolarHBondContact O-CG 3.38Å; E5-K9 PolarHBondContact O-N 3.39Å
6I97Very high95.4Very high95 Ų95104.8 Ų104.849%0.48752%0.516SS..Hα-helixtrans-71.5-43.2174.4-66.4172.3000110.3M1 T2 I3 W4 E8 K9 A10M1-I6 HydrophobicContact CG-CD1 4.45Å; M1-I6 HydrophobicContact CG-CG1 3.95Å; M1-I6 HydrophobicContact SD-CD1 4.26Å; M1-I6 HydrophobicContact SD-CG1 3.64Å; T2-I6 PolarHBondContact O-N 3.34Å; I3-I6 PolarHBondContact O-N 3.32Å; W4-I6 PolarHBondContact O-N 3.09Å; I6-E8 PolarHBondContact O-N 3.03Å; I6-K9 PolarHBondContact O-N 3.28Å; I6-A10 WeakPolarHBondContact O-CB 3.29Å; I6-A10 PolarHBondContact O-N 3.33Å
7S96.9Very high95.4Very high50 Ų50102.5 Ų102.535%0.3550%0.503SS..Hα-helixtrans-59.2-47.3177.8-165.80000111.5I3 W4 K9 A10 D11I3-S7 PolarHBondContact O-N 2.85Å; W4-S7 WeakPolarHBondContact O-CB 3.49Å; W4-S7 PolarHBondContact O-N 3.49Å; W4-S7 VanDerWaalsContact O-N 3.1Å; S7-K9 VanDerWaalsContact C-N 3.31Å; S7-K9 PolarHBondContact O-N 2.67Å; S7-A10 WeakPolarHBondContact O-CB 3.32Å; S7-A10 PolarHBondContact O-N 2.9Å; S7-A10 VanDerWaalsContact O-N 3.13Å; S7-D11 PolarHBondContact O-N 2.94Å
8E97.1Very high95.3Very high139 Ų139105.6 Ų105.665%0.6551%0.509SS*.Hα-helixtrans-61-40.7178.7-71.2-175.9136.700112.1W4 I6 Y12W4-E8 WeakPolarHBondContact O-CG 3.29Å; W4-E8 PolarHBondContact O-N 3.26Å; I6-E8 PolarHBondContact O-N 3.03Å; E8-Y12 WeakPolarHBondContact O-CB 3.4Å; E8-Y12 PolarHBondContact O-N 3.26Å
9K97.8Very high95.3Very high111 Ų111106.5 Ų106.548%0.48351%0.506SS..Hα-helixtrans-65.5-41.4174.8-73173.8-177.1179.10111.7E5 I6 S7 Y12 I13E5-K9 VanDerWaalsContact O-CG 3.3Å; E5-K9 WeakPolarHBondContact O-CG 3.38Å; E5-K9 PolarHBondContact O-N 3.39Å; I6-K9 PolarHBondContact O-N 3.28Å; S7-K9 VanDerWaalsContact C-N 3.31Å; S7-K9 PolarHBondContact O-N 2.67Å; K9-Y12 PolarHBondContact O-N 3.03Å; K9-I13 WeakPolarHBondContact O-CB 3.26Å; K9-I13 WeakPolarHBondContact O-CD1 3.49Å; K9-I13 WeakPolarHBondContact O-CG1 3.42Å; K9-I13 PolarHBondContact O-N 2.81Å
10A97.3Very high95.2Very high50 Ų50101.2 Ų101.241%0.41348%0.481SS..Hα-helixtrans-62.3-46178.300000111.1I6 S7 Y12 I13 A14I6-A10 WeakPolarHBondContact O-CB 3.29Å; I6-A10 PolarHBondContact O-N 3.33Å; S7-A10 WeakPolarHBondContact O-CB 3.32Å; S7-A10 PolarHBondContact O-N 2.9Å; S7-A10 VanDerWaalsContact O-N 3.13Å; A10-Y12 PolarHBondContact O-N 3.35Å; A10-I13 PolarHBondContact O-N 3.17Å; A10-A14 WeakPolarHBondContact O-CB 3.46Å; A10-A14 PolarHBondContact O-N 3.09Å
11D97.8Very high95.1Very high103 Ų10399.2 Ų99.255%0.55147%0.471SS*.Hα-helixtrans-62.4-43.9177.6-72.9-29.6000111.6S7 I13 A14 Q15S7-D11 PolarHBondContact O-N 2.94Å; D11-I13 PolarHBondContact O-N 3.37Å; D11-A14 PolarHBondContact O-N 3.18Å; D11-Q15 VanDerWaalsContact O-CB 3.31Å; D11-Q15 WeakPolarHBondContact O-CB 3.35Å; D11-Q15 PolarHBondContact O-N 2.75Å
12Y97.3Very high95.8Very high123 Ų12396.1 Ų96.148%0.48246%0.458SS..Hα-helixtrans-59.4-46.8176176.9-92000112.5E8 K9 A10 Q15 R16E8-Y12 WeakPolarHBondContact O-CB 3.4Å; E8-Y12 PolarHBondContact O-N 3.26Å; K9-Y12 PolarHBondContact O-N 3.03Å; A10-Y12 PolarHBondContact O-N 3.35Å; Y12-Q15 PolarHBondContact O-N 3.45Å; Y12-R16 PolarHBondContact O-N 3.5Å; Y12-R16 PolarHBondContact OH-NH1 2.78Å
13I97.3Very high95.9Very high85 Ų8593.2 Ų93.244%0.43644%0.439SS..Hα-helixtrans-64-47.2178.9-69.6164.6000110.1K9 A10 D11 Q15 R16 H17 F72K9-I13 WeakPolarHBondContact O-CB 3.26Å; K9-I13 WeakPolarHBondContact O-CD1 3.49Å; K9-I13 WeakPolarHBondContact O-CG1 3.42Å; K9-I13 PolarHBondContact O-N 2.81Å; A10-I13 PolarHBondContact O-N 3.17Å; D11-I13 PolarHBondContact O-N 3.37Å; I13-Q15 VanDerWaalsContact C-N 3.34Å; I13-Q15 PolarHBondContact O-N 3Å; I13-R16 PolarHBondContact O-N 3.32Å; I13-H17 WeakPolarHBondContact O-CB 3.39Å; I13-H17 PolarHBondContact O-N 3.07Å; I13-F72 HydrophobicContact CG2-CE1 3.8Å; I13-F72 HydrophobicContact CG2-CZ 3.46Å; I13-F72 VanDerWaalsContact CG2-CZ 3.46Å
14A96.1Very high95.9Very high44 Ų4487.3 Ų87.336%0.36441%0.409SS..Hα-helixtrans-63.1-39.6179.800000112.1A10 D11 R18A10-A14 WeakPolarHBondContact O-CB 3.46Å; A10-A14 PolarHBondContact O-N 3.09Å; D11-A14 PolarHBondContact O-N 3.18Å; A14-R18 WeakPolarHBondContact O-CB 3.22Å; A14-R18 WeakPolarHBondContact O-CG 3.41Å; A14-R18 PolarHBondContact O-N 3.03Å; A14-R18 VanDerWaalsContact O-N 3.09Å; A14-R18 PolarHBondContact O-NE 2.82Å
15Q96.1Very high95.8Very high122 Ų12283.7 Ų83.757%0.5740%0.4SS*.Hα-helixtrans-65-46.5176.2-172.6-176.913.200111.7D11 Y12 I13 R18 R19D11-Q15 VanDerWaalsContact O-CB 3.31Å; D11-Q15 WeakPolarHBondContact O-CB 3.35Å; D11-Q15 PolarHBondContact O-N 2.75Å; Y12-Q15 PolarHBondContact O-N 3.45Å; I13-Q15 VanDerWaalsContact C-N 3.34Å; I13-Q15 PolarHBondContact O-N 3Å; Q15-R18 PolarHBondContact O-N 2.95Å; Q15-R19 WeakPolarHBondContact O-CB 3.1Å; Q15-R19 PolarHBondContact O-N 2.94Å
16R95.8Very high95.8Very high103 Ų10381.8 Ų81.839%0.38939%0.392SS..Hα-helixtrans-66.7-41.6179.1-82.7-161.3145.471.8-4.7112.7Y12 I13 R18 R19 L20Y12-R16 PolarHBondContact O-N 3.5Å; Y12-R16 PolarHBondContact OH-NH1 2.78Å; I13-R16 PolarHBondContact O-N 3.32Å; R16-R18 PolarHBondContact O-N 3.28Å; R16-R19 PolarHBondContact O-N 3.44Å; R16-L20 PolarHBondContact O-N 2.82Å
17H94.1Very high95.7Very high65 Ų6577.3 Ų77.330%0.30137%0.369SS..Hα-helixtrans-58.2-49.6175.9-178.472.1000111.4I13 R19 L20 Q21 F72I13-H17 WeakPolarHBondContact O-CB 3.39Å; I13-H17 PolarHBondContact O-N 3.07Å; H17-R19 PolarHBondContact O-N 2.96Å; H17-L20 PolarHBondContact O-N 3.23Å; H17-Q21 WeakPolarHBondContact O-CG 3.3Å; H17-Q21 PolarHBondContact O-N 3.43Å; H17-Q21 VanDerWaalsContact O-N 3.08Å; H17-F72 HydrophobicContact CB-CE2 4.16Å; H17-F72 HydrophobicContact CB-CZ 4.12Å; H17-F72 AromaticContact CE1-CE2 3.96Å; H17-F72 AromaticContact CG-CE2 3.78Å; H17-F72 AromaticContact ND1-CD2 3.92Å; H17-F72 AromaticContact ND1-CE2 3.35Å; H17-F72 WeakPolarHBondContact ND1-CE2 3.28Å
18R93.5Very high95.6Very high159 Ų15975.4 Ų75.460%0.636%0.355SS*.Hα-helixtrans-57.1-49.2176.2-77.3-174-70.6174.2-3.3111.9A14 Q15 R16 L20 Q21 D22A14-R18 WeakPolarHBondContact O-CB 3.22Å; A14-R18 WeakPolarHBondContact O-CG 3.41Å; A14-R18 PolarHBondContact O-N 3.03Å; A14-R18 VanDerWaalsContact O-N 3.09Å; A14-R18 PolarHBondContact O-NE 2.82Å; Q15-R18 PolarHBondContact O-N 2.95Å; R16-R18 PolarHBondContact O-N 3.28Å; R18-L20 VanDerWaalsContact C-N 3.28Å; R18-L20 PolarHBondContact O-N 3.5Å; R18-Q21 PolarHBondContact O-N 3.09Å; R18-Q21 VanDerWaalsContact O-N 3.11Å; R18-D22 VanDerWaalsContact O-CG 3.24Å; R18-D22 PolarHBondContact O-N 3.3Å
19R95.6Very high95.4Very high122 Ų12272.2 Ų72.246%0.4634%0.343SS..Hα-helixtrans-60.5-36.9-178.6-179.2173.1170.8168.90.3112.9Q15 R16 H17 D22 Q23 I99Q15-R19 WeakPolarHBondContact O-CB 3.1Å; Q15-R19 PolarHBondContact O-N 2.94Å; R16-R19 PolarHBondContact O-N 3.44Å; H17-R19 PolarHBondContact O-N 2.96Å; R19-D22 PolarHBondContact O-N 3.02Å; R19-Q23 WeakPolarHBondContact O-CG 3.49Å; R19-Q23 PolarHBondContact O-N 3.49Å; R19-Q23 PolarHBondContact O-NE2 2.91Å; R19-I99 HydrophobicContact CB-CD1 3.84Å; R19-I99 HydrophobicContact CB-CG1 4.4Å; R19-I99 HydrophobicContact CG-CD1 3.69Å; R19-I99 HydrophobicContact CG-CG1 3.87Å; R19-I99 PolarHBondContact NE-O 3.3Å; R19-I99 PolarHBondContact NH2-O 2.97Å
20L94.3Very high95.3Very high1 Ų167.5 Ų67.51%0.00532%0.324CS..Hα-helixtrans-67.9-43.4175.8-178.557.9000111.7R16 H17 R18 D22 Q23 W24 S74 L97 I99R16-L20 PolarHBondContact O-N 2.82Å; H17-L20 PolarHBondContact O-N 3.23Å; R18-L20 VanDerWaalsContact C-N 3.28Å; R18-L20 PolarHBondContact O-N 3.5Å; L20-D22 VanDerWaalsContact C-N 3.3Å; L20-D22 PolarHBondContact O-N 3.49Å; L20-Q23 PolarHBondContact O-N 3.47Å; L20-W24 PolarHBondContact O-N 3.31Å; L20-S74 WeakPolarHBondContact CD2-O 3.4Å; L20-L97 HydrophobicContact CD1-CD2 4.13Å; L20-L97 HydrophobicContact CD1-CG 4.29Å; L20-I99 HydrophobicContact CB-CD1 3.77Å
21Q92.9Very high95.1Very high59 Ų5965.1 Ų65.128%0.27630%0.304SS..Hα-helixtrans-61.2-39.9174.4-66.2-61.3-63.400111.6H17 R18 Q23 W24 H25H17-Q21 WeakPolarHBondContact O-CG 3.3Å; H17-Q21 PolarHBondContact O-N 3.43Å; H17-Q21 VanDerWaalsContact O-N 3.08Å; R18-Q21 PolarHBondContact O-N 3.09Å; R18-Q21 VanDerWaalsContact O-N 3.11Å; Q21-Q23 PolarHBondContact O-N 3.11Å; Q21-W24 WeakPolarHBondContact O-CB 3.39Å; Q21-W24 PolarHBondContact O-N 3.46Å; Q21-H25 WeakPolarHBondContact O-CB 3.33Å; Q21-H25 PolarHBondContact O-N 3.31Å
22D94.7Very high94.8Very high97 Ų9761.7 Ų61.752%0.51929%0.287SS..Hα-helixtrans-62.5-43.1174.7-62.4-28000111.4R18 R19 L20 H25 I26R18-D22 VanDerWaalsContact O-CG 3.24Å; R18-D22 PolarHBondContact O-N 3.3Å; R19-D22 PolarHBondContact O-N 3.02Å; L20-D22 VanDerWaalsContact C-N 3.3Å; L20-D22 PolarHBondContact O-N 3.49Å; D22-H25 PolarHBondContact O-N 3.15Å; D22-I26 VanDerWaalsContact O-CG1 3.26Å; D22-I26 WeakPolarHBondContact O-CG1 3.39Å; D22-I26 PolarHBondContact O-N 2.81Å
23Q96.2Very high94.6Very high12 Ų1260.5 Ų60.56%0.05629%0.286CS..Hα-helixtrans-63.8-42175.8-66.4-30.3-80.300111.3R19 L20 Q21 H25 I26 Y27 L97 I109R19-Q23 WeakPolarHBondContact O-CG 3.49Å; R19-Q23 PolarHBondContact O-N 3.49Å; R19-Q23 PolarHBondContact O-NE2 2.91Å; L20-Q23 PolarHBondContact O-N 3.47Å; Q21-Q23 PolarHBondContact O-N 3.11Å; Q23-H25 VanDerWaalsContact C-N 3.32Å; Q23-H25 PolarHBondContact O-N 2.97Å; Q23-I26 PolarHBondContact O-N 2.8Å; Q23-Y27 PolarHBondContact O-N 2.76Å; Q23-L97 HydrophobicContact CB-CD1 4.15Å; Q23-L97 HydrophobicContact CB-CD2 4.17Å; Q23-L97 HydrophobicContact CB-CG 4.42Å; Q23-I109 HydrophobicContact CB-CD1 3.8Å; Q23-I109 HydrophobicContact CG-CD1 4.29Å; Q23-I109 VanDerWaalsContact O-CD1 3.23Å; Q23-I109 WeakPolarHBondContact O-CD1 3.24Å
24W94.8Very high94.3Very high11 Ų1156.5 Ų56.54%0.04227%0.265CS..Hα-helixtrans-58.6-46.1175.7173.5-121.6000111.6L20 Q21 I26 Y27 C28 K52 V66 L68 I77 L97L20-W24 PolarHBondContact O-N 3.31Å; Q21-W24 WeakPolarHBondContact O-CB 3.39Å; Q21-W24 PolarHBondContact O-N 3.46Å; W24-I26 VanDerWaalsContact C-N 3.33Å; W24-I26 PolarHBondContact O-N 3.25Å; W24-Y27 AromaticContact CE3-CD1 3.78Å; W24-Y27 HydrophobicContact CE3-CD1 3.78Å; W24-Y27 HydrophobicContact CH2-CD1 4.18Å; W24-Y27 HydrophobicContact CH2-CE1 4.26Å; W24-Y27 AromaticContact CZ3-CD1 3.39Å; W24-Y27 HydrophobicContact CZ3-CD1 3.39Å; W24-Y27 AromaticContact CZ3-CE1 3.71Å; W24-Y27 HydrophobicContact CZ3-CE1 3.71Å; W24-Y27 HydrophobicContact CZ3-CG 4.45Å; W24-Y27 WeakPolarHBondContact O-CB 3.48Å; W24-Y27 PolarHBondContact O-N 3.18Å; W24-C28 WeakPolarHBondContact CZ2-SG 3.31Å; W24-C28 PolarHBondContact O-N 2.83Å; W24-C28 PolarHBondContact O-SG 2.96Å; W24-K52 WeakPolarHBondContact CZ2-O 3.5Å; W24-K52 PolarHBondContact NE1-O 3.07Å; W24-V66 HydrophobicContact CH2-CG1 4.13Å; W24-L68 HydrophobicContact CB-CD1 3.8Å; W24-L68 HydrophobicContact CB-CG 4.42Å; W24-L68 HydrophobicContact CD2-CD1 3.9Å; W24-L68 HydrophobicContact CD2-CD2 4.22Å; W24-L68 HydrophobicContact CD2-CG 3.6Å; W24-L68 HydrophobicContact CE3-CD1 4.4Å; W24-L68 HydrophobicContact CE3-CD2 3.89Å; W24-L68 HydrophobicContact CE3-CG 3.76Å; W24-L68 HydrophobicContact CG-CD1 3.59Å; W24-L68 HydrophobicContact CG-CG 3.89Å; W24-L68 HydrophobicContact CZ2-CG 4.48Å; W24-L68 HydrophobicContact CZ3-CD2 4.34Å; W24-L68 HydrophobicContact CZ3-CG 4.27Å; W24-I77 HydrophobicContact CE3-CD1 4.39Å; W24-I77 HydrophobicContact CE3-CG1 4.31Å; W24-I77 HydrophobicContact CH2-CG2 4.29Å; W24-I77 HydrophobicContact CZ3-CB 4.48Å; W24-I77 HydrophobicContact CZ3-CD1 3.94Å; W24-I77 HydrophobicContact CZ3-CG1 3.83Å; W24-I77 HydrophobicContact CZ3-CG2 3.96Å; W24-L97 HydrophobicContact CB-CD2 4.1Å; W24-L97 HydrophobicContact CE3-CD2 4.36Å
25H93.6Very high94.1Very high118 Ų11855.2 Ų55.255%0.54625%0.252SS..Hα-helixtrans-63.8-38.4179.3-158.772.2000112.4Q21 D22 Q23 C28 N29Q21-H25 WeakPolarHBondContact O-CB 3.33Å; Q21-H25 PolarHBondContact O-N 3.31Å; D22-H25 PolarHBondContact O-N 3.15Å; Q23-H25 VanDerWaalsContact C-N 3.32Å; Q23-H25 PolarHBondContact O-N 2.97Å; H25-C28 PolarHBondContact O-N 3.23Å; H25-N29 PolarHBondContact CD2-ND2 3.28Å; H25-N29 VanDerWaalsContact CD2-ND2 3.27Å; H25-N29 PolarHBondContact NE2-ND2 3.1Å; H25-N29 WeakPolarHBondContact O-CB 3.32Å; H25-N29 VanDerWaalsContact O-CG 3.31Å; H25-N29 PolarHBondContact O-N 3.16Å; H25-N29 PolarHBondContact O-ND2 2.99Å; H25-N29 VanDerWaalsContact O-ND2 3.12Å
26I95.8Very high93.7Very high49 Ų4953.4 Ų53.425%0.25125%0.249SC..Hα-helixtrans-62.3-47.6172.9-68.2165.1000110.7D22 Q23 W24 C28 N29 S30 I109 R110D22-I26 VanDerWaalsContact O-CG1 3.26Å; D22-I26 WeakPolarHBondContact O-CG1 3.39Å; D22-I26 PolarHBondContact O-N 2.81Å; Q23-I26 PolarHBondContact O-N 2.8Å; W24-I26 VanDerWaalsContact C-N 3.33Å; W24-I26 PolarHBondContact O-N 3.25Å; I26-C28 VanDerWaalsContact C-N 3.34Å; I26-C28 PolarHBondContact O-N 2.86Å; I26-N29 PolarHBondContact O-N 3.24Å; I26-S30 WeakPolarHBondContact O-CB 3.31Å; I26-S30 PolarHBondContact O-N 3.33Å; I26-S30 PolarHBondContact O-OG 2.9Å; I26-S30 VanDerWaalsContact O-OG 3.14Å; I26-I109 HydrophobicContact CB-CD1 3.87Å; I26-I109 HydrophobicContact CB-CG1 4.42Å; I26-I109 HydrophobicContact CG2-CB 4.43Å; I26-I109 HydrophobicContact CG2-CD1 3.74Å; I26-I109 HydrophobicContact CG2-CG1 3.73Å; I26-R110 HydrophobicContact CG2-CG 3.95Å
27Y95.9Very high93.3Very high0 Ų053.4 Ų53.40%026%0.257CS..Hα-helixtrans-56.1-48.5176.7170.3-97.2000111.4Q23 W24 N29 S30 L31 V66 I77 Y79 I103 I109 V115Q23-Y27 PolarHBondContact O-N 2.76Å; W24-Y27 AromaticContact CE3-CD1 3.78Å; W24-Y27 HydrophobicContact CE3-CD1 3.78Å; W24-Y27 HydrophobicContact CH2-CD1 4.18Å; W24-Y27 HydrophobicContact CH2-CE1 4.26Å; W24-Y27 AromaticContact CZ3-CD1 3.39Å; W24-Y27 HydrophobicContact CZ3-CD1 3.39Å; W24-Y27 AromaticContact CZ3-CE1 3.71Å; W24-Y27 HydrophobicContact CZ3-CE1 3.71Å; W24-Y27 HydrophobicContact CZ3-CG 4.45Å; W24-Y27 WeakPolarHBondContact O-CB 3.48Å; W24-Y27 PolarHBondContact O-N 3.18Å; Y27-N29 VanDerWaalsContact C-N 3.34Å; Y27-N29 PolarHBondContact O-N 3.44Å; Y27-S30 PolarHBondContact O-N 3.42Å; Y27-L31 HydrophobicContact CE1-CD2 4.27Å; Y27-L31 WeakPolarHBondContact O-CB 3.33Å; Y27-L31 PolarHBondContact O-N 2.8Å; Y27-V66 HydrophobicContact CE1-CG1 3.94Å; Y27-I77 HydrophobicContact CD1-CD1 4.04Å; Y27-I77 HydrophobicContact CD2-CD1 4.34Å; Y27-I77 HydrophobicContact CE1-CD1 3.91Å; Y27-I77 HydrophobicContact CE1-CG2 4.45Å; Y27-I77 HydrophobicContact CE2-CD1 4.21Å; Y27-I77 HydrophobicContact CG-CD1 4.25Å; Y27-Y79 PolarHBondContact OH-OH 3.39Å; Y27-I103 HydrophobicContact CD2-CD1 3.98Å; Y27-I103 HydrophobicContact CD2-CG1 4.07Å; Y27-I103 HydrophobicContact CE2-CD1 4.32Å; Y27-I103 HydrophobicContact CE2-CG1 4.15Å; Y27-I109 HydrophobicContact CD2-CG2 4.1Å; Y27-V115 HydrophobicContact CD2-CG1 4Å; Y27-V115 HydrophobicContact CD2-CG2 4.39Å; Y27-V115 HydrophobicContact CE2-CG1 3.73Å
28C93.8Very high93Very high10 Ų1052 Ų527%0.06826%0.255CS..Hα-helixtrans-57.6-47.3178.8-67.90000112W24 H25 I26 L31 V32 L54W24-C28 WeakPolarHBondContact CZ2-SG 3.31Å; W24-C28 PolarHBondContact O-N 2.83Å; W24-C28 PolarHBondContact O-SG 2.96Å; H25-C28 PolarHBondContact O-N 3.23Å; I26-C28 VanDerWaalsContact C-N 3.34Å; I26-C28 PolarHBondContact O-N 2.86Å; C28-L31 PolarHBondContact O-N 2.86Å; C28-V32 WeakPolarHBondContact O-CB 3.37Å; C28-V32 WeakPolarHBondContact O-CG2 3.45Å; C28-V32 PolarHBondContact O-N 3.04Å; C28-L54 HydrophobicContact CB-CD1 3.88Å; C28-L54 HydrophobicContact CB-CD2 4.14Å; C28-L54 HydrophobicContact CB-CG 4.09Å
29N93Very high92.3Very high72 Ų7254.4 Ų54.439%0.38527%0.269SS..Hα-helixtrans-64.1-43.9179.6-74.9-33.2000112H25 I26 Y27 L31 V32 Q33H25-N29 PolarHBondContact CD2-ND2 3.28Å; H25-N29 VanDerWaalsContact CD2-ND2 3.27Å; H25-N29 PolarHBondContact NE2-ND2 3.1Å; H25-N29 WeakPolarHBondContact O-CB 3.32Å; H25-N29 VanDerWaalsContact O-CG 3.31Å; H25-N29 PolarHBondContact O-N 3.16Å; H25-N29 PolarHBondContact O-ND2 2.99Å; H25-N29 VanDerWaalsContact O-ND2 3.12Å; I26-N29 PolarHBondContact O-N 3.24Å; Y27-N29 VanDerWaalsContact C-N 3.34Å; Y27-N29 PolarHBondContact O-N 3.44Å; N29-L31 VanDerWaalsContact C-N 3.33Å; N29-L31 PolarHBondContact O-N 2.93Å; N29-V32 PolarHBondContact O-N 2.87Å; N29-Q33 WeakPolarHBondContact O-CB 3.21Å; N29-Q33 VanDerWaalsContact O-CG 3.25Å; N29-Q33 WeakPolarHBondContact O-CG 3.46Å; N29-Q33 PolarHBondContact O-N 2.95Å
30S95.1Very high91.6Very high12 Ų1251.1 Ų51.18%0.08427%0.268CS..Hα-helixtrans-62.3-40.3176.7-67.20000112.1I26 Y27 Q33 G34 I109I26-S30 WeakPolarHBondContact O-CB 3.31Å; I26-S30 PolarHBondContact O-N 3.33Å; I26-S30 PolarHBondContact O-OG 2.9Å; I26-S30 VanDerWaalsContact O-OG 3.14Å; Y27-S30 PolarHBondContact O-N 3.42Å; S30-Q33 PolarHBondContact O-N 3.09Å; S30-G34 PolarHBondContact O-N 3.29Å; S30-I109 WeakPolarHBondContact CB-O 3.46Å; S30-I109 PolarHBondContact OG-O 3Å
31L94.6Very high91Very high0 Ų061.2 Ų61.20%031%0.306CS..Hα-helixtrans-66.5-47.617717955.1000111.6Y27 C28 N29 Q33 G34 I35 L54 F56 V66 V115 Y119Y27-L31 HydrophobicContact CE1-CD2 4.27Å; Y27-L31 WeakPolarHBondContact O-CB 3.33Å; Y27-L31 PolarHBondContact O-N 2.8Å; C28-L31 PolarHBondContact O-N 2.86Å; N29-L31 VanDerWaalsContact C-N 3.33Å; N29-L31 PolarHBondContact O-N 2.93Å; L31-Q33 VanDerWaalsContact C-N 3.31Å; L31-Q33 PolarHBondContact O-N 2.99Å; L31-G34 PolarHBondContact O-N 3.14Å; L31-I35 HydrophobicContact CD1-CD1 3.87Å; L31-I35 HydrophobicContact CD1-CG1 4.14Å; L31-I35 HydrophobicContact CG-CD1 4.09Å; L31-I35 WeakPolarHBondContact O-CG1 3.38Å; L31-I35 PolarHBondContact O-N 3.27Å; L31-L54 HydrophobicContact CB-CD1 4.29Å; L31-L54 HydrophobicContact CD2-CD1 3.82Å; L31-L54 HydrophobicContact CG-CD1 4.32Å; L31-F56 HydrophobicContact CD2-CE2 4.12Å; L31-F56 HydrophobicContact CD2-CZ 4.34Å; L31-F56 HydrophobicContact CG-CZ 4.3Å; L31-V66 HydrophobicContact CD2-CG2 4.32Å; L31-V115 HydrophobicContact CB-CG1 3.76Å; L31-V115 HydrophobicContact CD1-CG1 4.24Å; L31-Y119 HydrophobicContact CD1-CD1 3.77Å; L31-Y119 HydrophobicContact CD1-CD2 4.09Å; L31-Y119 HydrophobicContact CD1-CG 3.51Å; L31-Y119 HydrophobicContact CD2-CD2 3.76Å; L31-Y119 HydrophobicContact CD2-CE2 4.19Å; L31-Y119 HydrophobicContact CD2-CG 4.07Å; L31-Y119 HydrophobicContact CG-CG 4.44Å
32V91.5Very high90.5Very high31 Ų3159.9 Ų59.919%0.18830%0.301CS..Hα-helixtrans-56.4-46.5175.5161.80000111C28 N29 T36 M46 L54 F56C28-V32 WeakPolarHBondContact O-CB 3.37Å; C28-V32 WeakPolarHBondContact O-CG2 3.45Å; C28-V32 PolarHBondContact O-N 3.04Å; N29-V32 PolarHBondContact O-N 2.87Å; V32-T36 VanDerWaalsContact O-CB 3.25Å; V32-T36 WeakPolarHBondContact O-CB 3.3Å; V32-T36 PolarHBondContact O-N 2.65Å; V32-T36 PolarHBondContact O-OG1 2.87Å; V32-M46 HydrophobicContact CB-SD 4.14Å; V32-M46 HydrophobicContact CG1-CE 3.86Å; V32-M46 HydrophobicContact CG1-SD 3.43Å; V32-M46 WeakPolarHBondContact CG1-SD 3.46Å; V32-M46 HydrophobicContact CG2-SD 3.81Å; V32-L54 HydrophobicContact CG2-CD1 4.38Å; V32-L54 HydrophobicContact CG2-CD2 3.75Å; V32-F56 HydrophobicContact CG2-CZ 4.49Å
33Q91.8Very high89.9Confident98 Ų9860.2 Ų60.246%0.45830%0.299SS..Hα-helixtrans-66.3-40.8176.8-72.2177.228.200112.1N29 S30 L31 T36 L37N29-Q33 WeakPolarHBondContact O-CB 3.21Å; N29-Q33 VanDerWaalsContact O-CG 3.25Å; N29-Q33 WeakPolarHBondContact O-CG 3.46Å; N29-Q33 PolarHBondContact O-N 2.95Å; S30-Q33 PolarHBondContact O-N 3.09Å; L31-Q33 VanDerWaalsContact C-N 3.31Å; L31-Q33 PolarHBondContact O-N 2.99Å; Q33-T36 PolarHBondContact O-N 2.94Å; Q33-L37 HydrophobicContact CB-CD1 4.4Å; Q33-L37 WeakPolarHBondContact O-CB 3.35Å; Q33-L37 VanDerWaalsContact O-CG 3.27Å; Q33-L37 WeakPolarHBondContact O-CG 3.36Å; Q33-L37 PolarHBondContact O-N 2.83Å
34G92.5Very high89.1Confident1 Ų160.9 Ų60.91%0.0130%0.302CS..Hα-helixtrans-55.3-52.1175.400000111.1S30 L31 S38 L116S30-G34 PolarHBondContact O-N 3.29Å; L31-G34 PolarHBondContact O-N 3.14Å; G34-S38 WeakPolarHBondContact O-CB 3.26Å; G34-S38 PolarHBondContact O-N 2.95Å; G34-L116 WeakPolarHBondContact O-CD2 3.16Å
35I90.1Very high88.2Confident18 Ų1863.1 Ų63.19%0.09232%0.323CS..Hα-helixtrans-64.1-49.1177.9-67169.5000111.2L31 L37 S38 H44 F56 L116 Y119L31-I35 HydrophobicContact CD1-CD1 3.87Å; L31-I35 HydrophobicContact CD1-CG1 4.14Å; L31-I35 HydrophobicContact CG-CD1 4.09Å; L31-I35 WeakPolarHBondContact O-CG1 3.38Å; L31-I35 PolarHBondContact O-N 3.27Å; I35-L37 PolarHBondContact O-N 2.82Å; I35-S38 WeakPolarHBondContact O-CB 3.47Å; I35-S38 PolarHBondContact O-N 2.87Å; I35-H44 HydrophobicContact CG2-CB 4Å; I35-F56 HydrophobicContact CD1-CD1 3.95Å; I35-F56 HydrophobicContact CD1-CD2 4.45Å; I35-F56 HydrophobicContact CD1-CE1 3.44Å; I35-F56 VanDerWaalsContact CD1-CE1 3.44Å; I35-F56 HydrophobicContact CD1-CE2 4Å; I35-F56 HydrophobicContact CD1-CG 4.42Å; I35-F56 HydrophobicContact CD1-CZ 3.48Å; I35-F56 VanDerWaalsContact CD1-CZ 3.48Å; I35-L116 HydrophobicContact CG1-CD1 3.7Å; I35-Y119 HydrophobicContact CD1-CD1 4.33Å; I35-Y119 HydrophobicContact CD1-CE1 3.93Å
36T87.5Confident87.4Confident83 Ų8362.3 Ų62.351%0.50932%0.32SS..Hα-helixtrans-65.1-39.2-174.2-56.80000112.7V32 Q33 M46V32-T36 VanDerWaalsContact O-CB 3.25Å; V32-T36 WeakPolarHBondContact O-CB 3.3Å; V32-T36 PolarHBondContact O-N 2.65Å; V32-T36 PolarHBondContact O-OG1 2.87Å; Q33-T36 PolarHBondContact O-N 2.94Å; T36-M46 WeakPolarHBondContact OG1-CE 3.34Å
37L88.9Confident86.3Confident104 Ų10462.3 Ų62.355%0.54533%0.325SS..Hα-helixtrans-88.8-10.8-178.3-60.5174.5000112.5Q33 I35 K39Q33-L37 HydrophobicContact CB-CD1 4.4Å; Q33-L37 WeakPolarHBondContact O-CB 3.35Å; Q33-L37 VanDerWaalsContact O-CG 3.27Å; Q33-L37 WeakPolarHBondContact O-CG 3.36Å; Q33-L37 PolarHBondContact O-N 2.83Å; I35-L37 PolarHBondContact O-N 2.82Å; L37-K39 PolarHBondContact O-N 2.83Å
38S86.8Confident84.5Confident36 Ų3668.5 Ų68.525%0.25237%0.367SS..  trans-64.6133.1173.4-176.90000109.9G34 I35 A40G34-S38 WeakPolarHBondContact O-CB 3.26Å; G34-S38 PolarHBondContact O-N 2.95Å; I35-S38 WeakPolarHBondContact O-CB 3.47Å; I35-S38 PolarHBondContact O-N 2.87Å; S38-A40 PolarHBondContact O-N 2.98Å; S38-A40 WeakPolarHBondContact OG-CB 3.28Å; S38-A40 PolarHBondContact OG-N 3.42Å; S38-A40 VanDerWaalsContact OG-N 3.07Å
39K79.8Confident83Confident209 Ų20969.3 Ų69.391%0.90937%0.374SS*.  trans-77.1-6.7169.6-63.9-177.7-178.4177.40111.9L37L37-K39 PolarHBondContact O-N 2.83Å
40A80.7Confident81.4Confident53 Ų5370.6 Ų70.644%0.43839%0.386SS..SBendtrans-71.2131.8-179.800000110.5S38 L42S38-A40 PolarHBondContact O-N 2.98Å; S38-A40 WeakPolarHBondContact OG-CB 3.28Å; S38-A40 PolarHBondContact OG-N 3.42Å; S38-A40 VanDerWaalsContact OG-N 3.07Å; A40-L42 HydrophobicContact CB-CD2 4.11Å; A40-L42 HydrophobicContact CB-CG 4.02Å; A40-L42 PolarHBondContact O-N 3.19Å
41R81Confident79.8Confident213 Ų21378.3 Ų78.380%0.80443%0.426SS*.  trans-82.169.9178.2-65.5179.465.7164.22110H43R41-H43 PolarHBondContact O-CD2 2.87Å; R41-H43 VanDerWaalsContact O-CD2 3.25Å; R41-H43 PolarHBondContact O-N 3.25Å
42L83Confident78.4Confident31 Ų3185 Ų8516%0.16246%0.456CS..  trans-73.7-6.9-177.7-60.9177.3000113.5A40 H44 L116 L120 Y127A40-L42 HydrophobicContact CB-CD2 4.11Å; A40-L42 HydrophobicContact CB-CG 4.02Å; A40-L42 PolarHBondContact O-N 3.19Å; L42-H44 HydrophobicContact CB-CB 4.35Å; L42-H44 PolarHBondContact O-N 3.45Å; L42-H44 VanDerWaalsContact O-N 3.14Å; L42-H44 PolarHBondContact O-ND1 2.58Å; L42-L116 HydrophobicContact CD1-CD1 4.4Å; L42-L120 HydrophobicContact CD1-CD2 3.77Å; L42-L120 HydrophobicContact CD2-CD2 3.99Å; L42-Y127 PolarHBondContact O-OH 3.32Å
43H81.8Confident77.9Confident104 Ų10486.4 Ų86.448%0.48146%0.46SS..  trans5333.2-173.5-67-90000113.1R41 V57 F59R41-H43 PolarHBondContact O-CD2 2.87Å; R41-H43 VanDerWaalsContact O-CD2 3.25Å; R41-H43 PolarHBondContact O-N 3.25Å; H43-V57 VanDerWaalsContact O-O 3.04Å; H43-F59 HydrophobicContact CB-CD1 3.86Å; H43-F59 HydrophobicContact CB-CE1 3.7Å; H43-F59 HydrophobicContact CB-CZ 4.41Å; H43-F59 AromaticContact CD2-CE1 3.84Å; H43-F59 AromaticContact CG-CE1 3.74Å
44H79.5Confident77.9Confident26 Ų2682.9 Ų82.912%0.1244%0.444CS..EExtended strand (participates in β ladder)trans-96.3107.2174.2-83.253.8000109I35 L42 F56 Y119 I123 Y127I35-H44 HydrophobicContact CG2-CB 4Å; L42-H44 HydrophobicContact CB-CB 4.35Å; L42-H44 PolarHBondContact O-N 3.45Å; L42-H44 VanDerWaalsContact O-N 3.14Å; L42-H44 PolarHBondContact O-ND1 2.58Å; H44-F56 AromaticContact CD2-CG 3.86Å; H44-Y119 AromaticContact CD2-CE1 3.95Å; H44-Y119 PolarHBondContact CD2-OH 3.44Å; H44-Y119 VanDerWaalsContact CD2-OH 3.29Å; H44-Y119 AromaticContact NE2-CE1 3.55Å; H44-Y119 AromaticContact NE2-CZ 3.61Å; H44-Y119 PolarHBondContact NE2-OH 2.79Å; H44-I123 WeakPolarHBondContact NE2-CD1 3.24Å; H44-Y127 AromaticContact CE1-CE2 3.94Å; H44-Y127 AromaticContact CE1-CZ 3.84Å; H44-Y127 PolarHBondContact CE1-OH 2.8Å; H44-Y127 PolarHBondContact ND1-OH 3.44Å; H44-Y127 VanDerWaalsContact ND1-OH 3.09Å
45A74.9Confident77.8Confident57 Ų5783 Ų8347%0.47145%0.445SS..EExtended strand (participates in β ladder)trans-97.2130.216800000109.2S47 F56 V57A45-S47 PolarHBondContact O-N 2.9Å; A45-F56 CarbonylContact O-C 3.51Å; A45-F56 WeakPolarHBondContact O-CA 3.44Å; A45-V57 HydrophobicContact CB-CB 4.41Å; A45-V57 PolarHBondContact N-O 2.92Å; A45-V57 PolarHBondContact O-N 3.4Å
46M77.4Confident77.9Confident102 Ų10282.2 Ų82.250%0.50244%0.441SS..EExtended strand (participates in β ladder)trans-66.1131173-79.9-175.2-84.600110.3V32 T36 F56V32-M46 HydrophobicContact CB-SD 4.14Å; V32-M46 HydrophobicContact CG1-CE 3.86Å; V32-M46 HydrophobicContact CG1-SD 3.43Å; V32-M46 WeakPolarHBondContact CG1-SD 3.46Å; V32-M46 HydrophobicContact CG2-SD 3.81Å; T36-M46 WeakPolarHBondContact OG1-CE 3.34Å; M46-F56 HydrophobicContact CG-CD1 3.91Å; M46-F56 HydrophobicContact CG-CE1 3.64Å
47S72.2Confident77.9Confident49 Ų4980 Ų8034%0.34343%0.427SS..EExtended strand (participates in β ladder)trans-102.8147.8168.3-179.40000109.7A45 A49 C55A45-S47 PolarHBondContact O-N 2.9Å; S47-A49 PolarHBondContact O-N 3.46Å; S47-C55 PolarHBondContact N-O 3.43Å
48C59.9Low78Confident130 Ų13075.1 Ų75.188%0.87840%0.401SS*.PPolyproline II helixtrans-64.8125163-171.20000107.8
49A61.7Low78Confident27 Ų2777.5 Ų77.522%0.22341%0.407CS..  trans-118.7163173.500000108.5S47 E53 C55S47-A49 PolarHBondContact O-N 3.46Å; A49-E53 HydrophobicContact CB-CB 4.18Å; A49-E53 VanDerWaalsContact CB-O 3.3Å; A49-E53 WeakPolarHBondContact CB-O 3.19Å; A49-C55 HydrophobicContact CB-CB 3.77Å
50P59.8Low78.3Confident98 Ų9874.5 Ų74.564%0.63640%0.397SS*.  trans-52.7156.5169.8-20.831.9000110.9K52 E53P50-K52 PolarHBondContact O-N 3.12Å; P50-E53 PolarHBondContact O-N 2.63Å; P50-E53 VanDerWaalsContact O-N 3.12Å
51D60.9Low78.6Confident174 Ų17477.9 Ų77.993%0.9340%0.403SS*.THydrogen-bonded Turntrans-48.8-0.1-165-114.6-8.8000118.6
52K65.6Low79Confident141 Ų14168.9 Ų68.961%0.61337%0.37SS*.THydrogen-bonded Turntrans-138.7-0.9-172.8-61.3-173.9-179.4-1790115.5W24 P50W24-K52 WeakPolarHBondContact CZ2-O 3.5Å; W24-K52 PolarHBondContact NE1-O 3.07Å; P50-K52 PolarHBondContact O-N 3.12Å
53E80.8Confident79.4Confident60 Ų6070.2 Ų70.228%0.2837%0.373SS..  trans-116.1146-177.7-57.1-172.8-178.600110.3A49 P50 Y65A49-E53 HydrophobicContact CB-CB 4.18Å; A49-E53 VanDerWaalsContact CB-O 3.3Å; A49-E53 WeakPolarHBondContact CB-O 3.19Å; P50-E53 PolarHBondContact O-N 2.63Å; P50-E53 VanDerWaalsContact O-N 3.12Å; E53-Y65 WeakPolarHBondContact OE2-CD1 3.42Å
54L90.7Very high80Confident25 Ų2565.2 Ų65.213%0.13135%0.35CS..EExtended strand (participates in β ladder)trans-94.3136162.2-67.8179.1000108.9C28 L31 V32 F56 Y65 V66C28-L54 HydrophobicContact CB-CD1 3.88Å; C28-L54 HydrophobicContact CB-CD2 4.14Å; C28-L54 HydrophobicContact CB-CG 4.09Å; L31-L54 HydrophobicContact CB-CD1 4.29Å; L31-L54 HydrophobicContact CD2-CD1 3.82Å; L31-L54 HydrophobicContact CG-CD1 4.32Å; V32-L54 HydrophobicContact CG2-CD1 4.38Å; V32-L54 HydrophobicContact CG2-CD2 3.75Å; L54-F56 HydrophobicContact CB-CE2 3.84Å; L54-F56 HydrophobicContact CB-CZ 4.17Å; L54-F56 HydrophobicContact CD1-CE2 4.25Å; L54-F56 HydrophobicContact CD1-CZ 4.14Å; L54-Y65 CarbonylContact O-C 3.55Å; L54-Y65 VanDerWaalsContact O-CA 3.26Å; L54-Y65 WeakPolarHBondContact O-CA 3.46Å; L54-V66 HydrophobicContact CB-CB 4.17Å; L54-V66 PolarHBondContact N-O 3.43Å; L54-V66 PolarHBondContact O-N 3.25Å
55C91.7Very high80.6Confident3 Ų365.3 Ų65.32%0.0235%0.349CS..EExtended strand (participates in β ladder)trans-129126.3175.2-176.70000110S47 A49 I64 Y65S47-C55 PolarHBondContact N-O 3.43Å; A49-C55 HydrophobicContact CB-CB 3.77Å; C55-I64 CarbonylContact C-O 3.55Å; C55-I64 WeakPolarHBondContact CA-O 3.41Å; C55-Y65 HydrophobicContact CB-CD1 4.02Å; C55-Y65 HydrophobicContact CB-CE1 3.84Å
56F90.9Very high81.6Confident1 Ų162.6 Ų62.60%0.00433%0.327CS..EExtended strand (participates in β ladder)trans-118.9127.2175.6-55.9-78.3000109.6L31 V32 I35 H44 A45 M46 L54 R63 I64 V66L31-F56 HydrophobicContact CD2-CE2 4.12Å; L31-F56 HydrophobicContact CD2-CZ 4.34Å; L31-F56 HydrophobicContact CG-CZ 4.3Å; V32-F56 HydrophobicContact CG2-CZ 4.49Å; I35-F56 HydrophobicContact CD1-CD1 3.95Å; I35-F56 HydrophobicContact CD1-CD2 4.45Å; I35-F56 HydrophobicContact CD1-CE1 3.44Å; I35-F56 VanDerWaalsContact CD1-CE1 3.44Å; I35-F56 HydrophobicContact CD1-CE2 4Å; I35-F56 HydrophobicContact CD1-CG 4.42Å; I35-F56 HydrophobicContact CD1-CZ 3.48Å; I35-F56 VanDerWaalsContact CD1-CZ 3.48Å; H44-F56 AromaticContact CD2-CG 3.86Å; A45-F56 CarbonylContact O-C 3.51Å; A45-F56 WeakPolarHBondContact O-CA 3.44Å; M46-F56 HydrophobicContact CG-CD1 3.91Å; M46-F56 HydrophobicContact CG-CE1 3.64Å; L54-F56 HydrophobicContact CB-CE2 3.84Å; L54-F56 HydrophobicContact CB-CZ 4.17Å; L54-F56 HydrophobicContact CD1-CE2 4.25Å; L54-F56 HydrophobicContact CD1-CZ 4.14Å; F56-R63 CarbonylContact O-C 3.57Å; F56-R63 WeakPolarHBondContact O-CA 3.48Å; F56-I64 PolarHBondContact N-O 3.17Å; F56-I64 PolarHBondContact O-N 2.92Å; F56-V66 HydrophobicContact CE2-CG2 4.28Å
57V89Confident82.3Confident37 Ų3758.6 Ų58.622%0.22431%0.308CS..EExtended strand (participates in β ladder)trans-82.5125.3172.3-178.30000108.3H43 A45 F62H43-V57 VanDerWaalsContact O-O 3.04Å; A45-V57 HydrophobicContact CB-CB 4.41Å; A45-V57 PolarHBondContact N-O 2.92Å; A45-V57 PolarHBondContact O-N 3.4Å; V57-F62 WeakPolarHBondContact CA-O 3.17Å
58L89.4Confident83.4Confident1 Ų157.2 Ų57.21%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-110.8119.9178.4-176.972.2000109.3E60 H61 F62 V126 Y127 L130L58-E60 PolarHBondContact O-N 3.47Å; L58-H61 PolarHBondContact O-N 2.91Å; L58-F62 HydrophobicContact CB-CB 4.32Å; L58-F62 PolarHBondContact N-O 2.83Å; L58-F62 PolarHBondContact O-N 2.78Å; L58-F62 VanDerWaalsContact O-N 3.07Å; L58-V126 HydrophobicContact CD2-CG1 4.24Å; L58-Y127 HydrophobicContact CD1-CE1 4.01Å; L58-Y127 HydrophobicContact CD1-CE2 4.41Å; L58-Y127 VanDerWaalsContact CD1-OH 3.31Å; L58-Y127 WeakPolarHBondContact CD1-OH 3.19Å; L58-L130 HydrophobicContact CD2-CD1 3.59Å
59F88.2Confident85Confident86 Ų8651.8 Ų51.838%0.37726%0.261SS..THydrogen-bonded Turntrans49.629.9179.7-53.7-66.2000114.8H43 H61 Y127 L130H43-F59 HydrophobicContact CB-CD1 3.86Å; H43-F59 HydrophobicContact CB-CE1 3.7Å; H43-F59 HydrophobicContact CB-CZ 4.41Å; H43-F59 AromaticContact CD2-CE1 3.84Å; H43-F59 AromaticContact CG-CE1 3.74Å; F59-H61 PolarHBondContact O-CD2 3.05Å; F59-H61 PolarHBondContact O-N 3.25Å; F59-Y127 HydrophobicContact CE2-CD1 4.4Å; F59-Y127 HydrophobicContact CE2-CE1 4.01Å; F59-Y127 HydrophobicContact CZ-CD1 4.49Å; F59-Y127 AromaticContact CZ-CE1 3.94Å; F59-Y127 HydrophobicContact CZ-CE1 3.94Å; F59-L130 HydrophobicContact CD2-CD1 4.05Å; F59-L130 HydrophobicContact CE2-CD1 3.96Å
60E85.9Confident86.2Confident146 Ų14658.3 Ų58.368%0.68229%0.293SS*.THydrogen-bonded Turntrans61.71.7-178.9-53.8-175-178.100116.8L58 K84L58-E60 PolarHBondContact O-N 3.47Å; E60-K84 WeakPolarHBondContact O-CD 3.46Å; E60-K84 PolarHBondContact O-NZ 2.93Å
61H87Confident87.6Confident125 Ų12556.5 Ų56.558%0.57929%0.292SS*.THydrogen-bonded Turntrans-117.1-29.8-174.9-73.8-70.1000113.8L58 F59 K84L58-H61 PolarHBondContact O-N 2.91Å; F59-H61 PolarHBondContact O-CD2 3.05Å; F59-H61 PolarHBondContact O-N 3.25Å; H61-K84 WeakPolarHBondContact O-CB 3.35Å; H61-K84 PolarHBondContact O-N 3.49Å
62F89.9Confident88.9Confident23 Ų2355 Ų5510%0.10128%0.277CS..EExtended strand (participates in β ladder)trans-120.2153-177.7-55.6-76.8000110.6V57 L58 V81 E82 T83 L130 V140 L145V57-F62 WeakPolarHBondContact CA-O 3.17Å; L58-F62 HydrophobicContact CB-CB 4.32Å; L58-F62 PolarHBondContact N-O 2.83Å; L58-F62 PolarHBondContact O-N 2.78Å; L58-F62 VanDerWaalsContact O-N 3.07Å; F62-V81 HydrophobicContact CB-CG2 4.31Å; F62-V81 HydrophobicContact CD1-CG2 4.48Å; F62-E82 CarbonylContact C-O 3.59Å; F62-E82 WeakPolarHBondContact CA-O 3.25Å; F62-T83 HydrophobicContact CE1-CG2 4.42Å; F62-L130 HydrophobicContact CD2-CD1 4.49Å; F62-L130 HydrophobicContact CD2-CD2 4.1Å; F62-L130 HydrophobicContact CE2-CD2 3.5Å; F62-L130 HydrophobicContact CZ-CD2 4.02Å; F62-V140 HydrophobicContact CE1-CG1 4.21Å; F62-V140 HydrophobicContact CE2-CG1 4.37Å; F62-V140 HydrophobicContact CZ-CB 4.04Å; F62-V140 HydrophobicContact CZ-CG1 3.58Å; F62-L145 HydrophobicContact CD1-CD1 4.13Å; F62-L145 HydrophobicContact CE1-CD1 3.87Å; F62-L145 HydrophobicContact CZ-CD1 4.26Å
63R91.5Very high90.1Very high59 Ų5951.2 Ų51.222%0.22326%0.264CS..EExtended strand (participates in β ladder)trans-118.7131170.2-64.1-174.1-174.7104.76109.3F56 Y65 V81 E82 K84F56-R63 CarbonylContact O-C 3.57Å; F56-R63 WeakPolarHBondContact O-CA 3.48Å; R63-Y65 HydrophobicContact CB-CD2 4.15Å; R63-Y65 HydrophobicContact CB-CE2 3.53Å; R63-Y65 VanDerWaalsContact CD-OH 3.24Å; R63-Y65 WeakPolarHBondContact CD-OH 3.49Å; R63-Y65 HydrophobicContact CG-CE2 4.45Å; R63-V81 CarbonylContact O-C 3.53Å; R63-V81 VanDerWaalsContact O-CA 3.31Å; R63-V81 WeakPolarHBondContact O-CA 3.43Å; R63-E82 HydrophobicContact CB-CB 4.39Å; R63-E82 PolarHBondContact N-O 2.79Å; R63-E82 IonicContact NH1-OE2 3.5Å; R63-E82 PolarHBondContact NH1-OE2 3.1Å; R63-E82 PolarHBondContact O-N 3.17Å; R63-K84 PolarHBondContact NH1-O 3.31Å; R63-K84 PolarHBondContact NH2-O 2.91Å
64I92.6Very high90.7Very high0 Ų049.3 Ų49.30%026%0.257CS..EExtended strand (participates in β ladder)trans-98.5122.3168-58.1-63.3000107.7C55 F56 Y80 V81 I92 Y119 I123C55-I64 CarbonylContact C-O 3.55Å; C55-I64 WeakPolarHBondContact CA-O 3.41Å; F56-I64 PolarHBondContact N-O 3.17Å; F56-I64 PolarHBondContact O-N 2.92Å; I64-Y80 CarbonylContact C-O 3.53Å; I64-Y80 VanDerWaalsContact CA-O 3.28Å; I64-Y80 WeakPolarHBondContact CA-O 3.47Å; I64-V81 HydrophobicContact CD1-CB 3.86Å; I64-V81 HydrophobicContact CD1-CG2 3.87Å; I64-I92 HydrophobicContact CD1-CD1 4.28Å; I64-Y119 HydrophobicContact CG2-CE2 4.23Å; I64-Y119 WeakPolarHBondContact CG2-OH 3.22Å; I64-I123 HydrophobicContact CG2-CG2 4.14Å
65Y93.1Very high91Very high28 Ų2850.5 Ų50.511%0.1126%0.262CS..EExtended strand (participates in β ladder)trans-104.2137.7173.4-68.1-95.5000110.4E53 L54 C55 R63 Y79 Y80 E82E53-Y65 WeakPolarHBondContact OE2-CD1 3.42Å; L54-Y65 CarbonylContact O-C 3.55Å; L54-Y65 VanDerWaalsContact O-CA 3.26Å; L54-Y65 WeakPolarHBondContact O-CA 3.46Å; C55-Y65 HydrophobicContact CB-CD1 4.02Å; C55-Y65 HydrophobicContact CB-CE1 3.84Å; R63-Y65 HydrophobicContact CB-CD2 4.15Å; R63-Y65 HydrophobicContact CB-CE2 3.53Å; R63-Y65 VanDerWaalsContact CD-OH 3.24Å; R63-Y65 WeakPolarHBondContact CD-OH 3.49Å; R63-Y65 HydrophobicContact CG-CE2 4.45Å; Y65-Y79 CarbonylContact O-C 3.54Å; Y65-Y79 WeakPolarHBondContact O-CA 3.21Å; Y65-Y80 PolarHBondContact N-O 3.1Å; Y65-Y80 PolarHBondContact O-N 3.04Å; Y65-E82 HydrophobicContact CD2-CB 4.15Å; Y65-E82 HydrophobicContact CE2-CB 3.78Å; Y65-E82 HydrophobicContact CE2-CG 4.42Å; Y65-E82 WeakPolarHBondContact CE2-OE2 3.22Å; Y65-E82 PolarHBondContact OH-OE2 3.41Å
66V95Very high91.3Very high0 Ų051.7 Ų51.70%027%0.269CS..EExtended strand (participates in β ladder)trans-123.6116.2170.7-163.60000107.8W24 Y27 L31 L54 F56 I77 E78 Y79 Y119W24-V66 HydrophobicContact CH2-CG1 4.13Å; Y27-V66 HydrophobicContact CE1-CG1 3.94Å; L31-V66 HydrophobicContact CD2-CG2 4.32Å; L54-V66 HydrophobicContact CB-CB 4.17Å; L54-V66 PolarHBondContact N-O 3.43Å; L54-V66 PolarHBondContact O-N 3.25Å; F56-V66 HydrophobicContact CE2-CG2 4.28Å; V66-I77 HydrophobicContact CG1-CG2 3.54Å; V66-E78 WeakPolarHBondContact CA-O 3.5Å; V66-Y79 HydrophobicContact CB-CD1 4.33Å; V66-Y79 HydrophobicContact CB-CE1 4.37Å; V66-Y79 HydrophobicContact CG1-CD1 3.75Å; V66-Y79 HydrophobicContact CG1-CE1 3.42Å; V66-Y79 VanDerWaalsContact CG1-CE1 3.42Å; V66-Y79 HydrophobicContact CG2-CD1 3.81Å; V66-Y79 HydrophobicContact CG2-CE1 4.05Å; V66-Y119 HydrophobicContact CG2-CD2 4.28Å; V66-Y119 HydrophobicContact CG2-CE2 3.76Å
67T93.8Very high91.6Very high17 Ų1751.6 Ų51.610%0.10427%0.269CS..EExtended strand (participates in β ladder)trans-138.2158.1-176.1-1740000110.8I77 E78 Y80T67-I77 CarbonylContact O-C 3.59Å; T67-I77 WeakPolarHBondContact O-CA 3.35Å; T67-E78 HydrophobicContact CG2-CB 4.37Å; T67-E78 PolarHBondContact N-O 2.89Å; T67-E78 PolarHBondContact O-N 2.96Å; T67-Y80 HydrophobicContact CG2-CD2 4.22Å; T67-Y80 HydrophobicContact CG2-CE2 3.96Å
68L93.4Very high91.9Very high20 Ų2050.7 Ų50.711%0.10526%0.262CS..EExtended strand (participates in β ladder)trans-71.2139.4157.9-72.9175.3000109.1W24 T76 I77 L97W24-L68 HydrophobicContact CB-CD1 3.8Å; W24-L68 HydrophobicContact CB-CG 4.42Å; W24-L68 HydrophobicContact CD2-CD1 3.9Å; W24-L68 HydrophobicContact CD2-CD2 4.22Å; W24-L68 HydrophobicContact CD2-CG 3.6Å; W24-L68 HydrophobicContact CE3-CD1 4.4Å; W24-L68 HydrophobicContact CE3-CD2 3.89Å; W24-L68 HydrophobicContact CE3-CG 3.76Å; W24-L68 HydrophobicContact CG-CD1 3.59Å; W24-L68 HydrophobicContact CG-CG 3.89Å; W24-L68 HydrophobicContact CZ2-CG 4.48Å; W24-L68 HydrophobicContact CZ3-CD2 4.34Å; W24-L68 HydrophobicContact CZ3-CG 4.27Å; L68-T76 CarbonylContact C-O 3.55Å; L68-T76 WeakPolarHBondContact CA-O 3.3Å; L68-I77 HydrophobicContact CD2-CG1 4.08Å; L68-L97 HydrophobicContact CD2-CD2 4.36Å
69A93.5Very high92.2Very high17 Ų1750.6 Ų50.614%0.1426%0.261CS..PPolyproline II helixtrans-57.9148.3171.700000109.6S74 T76 E78A69-S74 WeakPolarHBondContact CB-OG 3.41Å; A69-S74 WeakPolarHBondContact O-CB 3.39Å; A69-S74 PolarHBondContact O-OG 3.24Å; A69-T76 HydrophobicContact CB-CG2 4.33Å; A69-T76 PolarHBondContact N-O 3.48Å; A69-E78 HydrophobicContact CB-CG 3.77Å
70D88.4Confident92.4Very high164 Ų16448.6 Ų48.688%0.87725%0.252SS*.SBendtrans-59.2145.8177.6-70.1-38.9000112
71G87.7Confident92.8Very high60 Ų6041.7 Ų41.762%0.61922%0.219SC*.SBendtrans124.7153.4175.400000114N73 S74G71-N73 PolarHBondContact O-N 2.98Å; G71-S74 PolarHBondContact O-N 2.85Å
72F89.3Confident93Very high142 Ų14237 Ų3762%0.62320%0.197SC*.THydrogen-bonded Turntrans-69.5131176.4-177.3-102.1000110.4I13 H17 S74I13-F72 HydrophobicContact CG2-CE1 3.8Å; I13-F72 HydrophobicContact CG2-CZ 3.46Å; I13-F72 VanDerWaalsContact CG2-CZ 3.46Å; H17-F72 HydrophobicContact CB-CE2 4.16Å; H17-F72 HydrophobicContact CB-CZ 4.12Å; H17-F72 AromaticContact CE1-CE2 3.96Å; H17-F72 AromaticContact CG-CE2 3.78Å; H17-F72 AromaticContact ND1-CD2 3.92Å; H17-F72 AromaticContact ND1-CE2 3.35Å; H17-F72 WeakPolarHBondContact ND1-CE2 3.28Å; F72-S74 VanDerWaalsContact C-N 3.28Å; F72-S74 PolarHBondContact O-N 2.77Å
73N91Very high92.9Very high62 Ų6237.4 Ų37.433%0.33220%0.202SC..THydrogen-bonded Turntrans59.338.2-176.9-163.475.2000112.9G71 H75G71-N73 PolarHBondContact O-N 2.98Å; N73-H75 PolarHBondContact ND2-CD2 3.03Å; N73-H75 PolarHBondContact ND2-NE2 3.31Å; N73-H75 PolarHBondContact O-CD2 2.7Å; N73-H75 PolarHBondContact O-N 3.08Å
74S93Very high92.3Very high20 Ų2039.8 Ų39.814%0.1421%0.214CC..  trans-72121172178.80000110.9L20 A69 G71 F72 T76L20-S74 WeakPolarHBondContact CD2-O 3.4Å; A69-S74 WeakPolarHBondContact CB-OG 3.41Å; A69-S74 WeakPolarHBondContact O-CB 3.39Å; A69-S74 PolarHBondContact O-OG 3.24Å; G71-S74 PolarHBondContact O-N 2.85Å; F72-S74 VanDerWaalsContact C-N 3.28Å; F72-S74 PolarHBondContact O-N 2.77Å; S74-T76 PolarHBondContact OG-N 2.92Å
75H96.6Very high91.7Very high49 Ų4946 Ų4623%0.22725%0.247CC..  trans-97.2-0.6174.9-73.6-92.3000112.2N73 Q96 L97N73-H75 PolarHBondContact ND2-CD2 3.03Å; N73-H75 PolarHBondContact ND2-NE2 3.31Å; N73-H75 PolarHBondContact O-CD2 2.7Å; N73-H75 PolarHBondContact O-N 3.08Å; H75-Q96 CarbonylContact O-C 3.58Å; H75-Q96 WeakPolarHBondContact O-CA 3.39Å; H75-Q96 PolarHBondContact O-OE1 3.07Å; H75-L97 WeakPolarHBondContact CB-O 3.47Å; H75-L97 PolarHBondContact ND1-O 3.21Å; H75-L97 PolarHBondContact O-N 2.78Å
76T97.6Very high90.9Very high28 Ų2846.6 Ų46.617%0.17226%0.262CS..EExtended strand (participates in β ladder)trans-92.7120.4-174.4-58.50000109.5L68 A69 S74 E78 Q94 A95 Q96L68-T76 CarbonylContact C-O 3.55Å; L68-T76 WeakPolarHBondContact CA-O 3.3Å; A69-T76 HydrophobicContact CB-CG2 4.33Å; A69-T76 PolarHBondContact N-O 3.48Å; S74-T76 PolarHBondContact OG-N 2.92Å; T76-E78 HydrophobicContact CG2-CG 4.12Å; T76-Q94 HydrophobicContact CG2-CB 4.16Å; T76-Q94 HydrophobicContact CG2-CG 4.26Å; T76-A95 CarbonylContact C-O 3.52Å; T76-A95 WeakPolarHBondContact CA-O 3.31Å; T76-Q96 PolarHBondContact OG1-NE2 3.47Å; T76-Q96 PolarHBondContact OG1-OE1 2.74Å; T76-Q96 VanDerWaalsContact OG1-OE1 3.07Å
77I97Very high90.1Very high0 Ų054.1 Ų54.10%030%0.297CS..EExtended strand (participates in β ladder)trans-83.5133.9165.2-54.8176.2000107.3W24 Y27 V66 T67 L68 Y79 Q94 A95 L97 I103W24-I77 HydrophobicContact CE3-CD1 4.39Å; W24-I77 HydrophobicContact CE3-CG1 4.31Å; W24-I77 HydrophobicContact CH2-CG2 4.29Å; W24-I77 HydrophobicContact CZ3-CB 4.48Å; W24-I77 HydrophobicContact CZ3-CD1 3.94Å; W24-I77 HydrophobicContact CZ3-CG1 3.83Å; W24-I77 HydrophobicContact CZ3-CG2 3.96Å; Y27-I77 HydrophobicContact CD1-CD1 4.04Å; Y27-I77 HydrophobicContact CD2-CD1 4.34Å; Y27-I77 HydrophobicContact CE1-CD1 3.91Å; Y27-I77 HydrophobicContact CE1-CG2 4.45Å; Y27-I77 HydrophobicContact CE2-CD1 4.21Å; Y27-I77 HydrophobicContact CG-CD1 4.25Å; V66-I77 HydrophobicContact CG1-CG2 3.54Å; T67-I77 CarbonylContact O-C 3.59Å; T67-I77 WeakPolarHBondContact O-CA 3.35Å; L68-I77 HydrophobicContact CD2-CG1 4.08Å; I77-Y79 HydrophobicContact CB-CE2 4.32Å; I77-Y79 HydrophobicContact CG2-CD2 4.48Å; I77-Y79 HydrophobicContact CG2-CE1 4.28Å; I77-Y79 HydrophobicContact CG2-CE2 3.8Å; I77-Q94 CarbonylContact O-C 3.54Å; I77-Q94 WeakPolarHBondContact O-CA 3Å; I77-A95 HydrophobicContact CB-CB 4.41Å; I77-A95 PolarHBondContact N-O 3.44Å; I77-A95 PolarHBondContact O-N 3.44Å; I77-L97 HydrophobicContact CD1-CB 4.06Å; I77-L97 HydrophobicContact CG1-CB 4.09Å; I77-I103 HydrophobicContact CD1-CD1 3.56Å
78E95.9Very high89.6Confident17 Ų1757 Ų578%0.07931%0.312CS..EExtended strand (participates in β ladder)trans-118.6136.6175.9-58.6-166.9119.200110.4V66 T67 A69 T76 Y80 R91 Q94V66-E78 WeakPolarHBondContact CA-O 3.5Å; T67-E78 HydrophobicContact CG2-CB 4.37Å; T67-E78 PolarHBondContact N-O 2.89Å; T67-E78 PolarHBondContact O-N 2.96Å; A69-E78 HydrophobicContact CB-CG 3.77Å; T76-E78 HydrophobicContact CG2-CG 4.12Å; E78-Y80 HydrophobicContact CB-CD2 4.06Å; E78-Y80 HydrophobicContact CB-CE2 3.36Å; E78-Y80 HydrophobicContact CG-CE2 4.32Å; E78-Y80 PolarHBondContact OE1-OH 3.35Å; E78-Y80 WeakPolarHBondContact OE2-CE2 3.06Å; E78-Y80 PolarHBondContact OE2-OH 2.91Å; E78-R91 WeakPolarHBondContact OE1-CD 3.45Å; E78-R91 IonicContact OE1-CZ 2.97Å; E78-R91 IonicContact OE1-NE 3.95Å; E78-R91 IonicContact OE1-NH1 3.9Å; E78-R91 PolarHBondContact OE1-NH1 3.42Å; E78-Q94 HydrophobicContact CG-CG 4.18Å; E78-Q94 PolarHBondContact OE1-NE2 2.95Å
79Y95.4Very high89.4Confident0 Ų060.2 Ų60.20%033%0.325CS..EExtended strand (participates in β ladder)trans-109.4124.2177.2-55.3-95.4000107.3Y27 Y65 V66 I77 R91 I92 A93 A95 Y119 K122Y27-Y79 PolarHBondContact OH-OH 3.39Å; Y65-Y79 CarbonylContact O-C 3.54Å; Y65-Y79 WeakPolarHBondContact O-CA 3.21Å; V66-Y79 HydrophobicContact CB-CD1 4.33Å; V66-Y79 HydrophobicContact CB-CE1 4.37Å; V66-Y79 HydrophobicContact CG1-CD1 3.75Å; V66-Y79 HydrophobicContact CG1-CE1 3.42Å; V66-Y79 VanDerWaalsContact CG1-CE1 3.42Å; V66-Y79 HydrophobicContact CG2-CD1 3.81Å; V66-Y79 HydrophobicContact CG2-CE1 4.05Å; I77-Y79 HydrophobicContact CB-CE2 4.32Å; I77-Y79 HydrophobicContact CG2-CD2 4.48Å; I77-Y79 HydrophobicContact CG2-CE1 4.28Å; I77-Y79 HydrophobicContact CG2-CE2 3.8Å; Y79-R91 CarbonylContact O-C 3.55Å; Y79-R91 WeakPolarHBondContact O-CA 3.45Å; Y79-R91 WeakPolarHBondContact O-CG 3.2Å; Y79-I92 WeakPolarHBondContact O-CG1 3.46Å; Y79-I92 PolarHBondContact O-N 2.9Å; Y79-A93 HydrophobicContact CD2-CB 3.89Å; Y79-A93 HydrophobicContact CG-CB 4.31Å; Y79-A93 PolarHBondContact N-O 3.47Å; Y79-A93 PolarHBondContact O-N 3.27Å; Y79-A95 HydrophobicContact CE2-CB 4.01Å; Y79-Y119 HydrophobicContact CD1-CD2 4.19Å; Y79-Y119 HydrophobicContact CD1-CE2 4.34Å; Y79-Y119 AromaticContact CE1-CD2 3.89Å; Y79-Y119 HydrophobicContact CE1-CD2 3.89Å; Y79-Y119 HydrophobicContact CE1-CE2 4.46Å; Y79-K122 HydrophobicContact CD1-CB 4.22Å; Y79-K122 HydrophobicContact CD2-CB 4.13Å; Y79-K122 HydrophobicContact CD2-CG 4.2Å; Y79-K122 HydrophobicContact CE1-CB 4.29Å; Y79-K122 HydrophobicContact CE1-CG 4.4Å; Y79-K122 HydrophobicContact CE2-CB 4.19Å; Y79-K122 HydrophobicContact CE2-CD 4.36Å; Y79-K122 HydrophobicContact CE2-CG 3.81Å; Y79-K122 HydrophobicContact CG-CB 4.16Å
80Y93.6Very high89.4Confident44 Ų4461.9 Ų61.917%0.17333%0.33CS..EExtended strand (participates in β ladder)trans-119.9150.1177.7-64.9-98.1000110.5I64 Y65 T67 E78 K89 Q90 R91I64-Y80 CarbonylContact C-O 3.53Å; I64-Y80 VanDerWaalsContact CA-O 3.28Å; I64-Y80 WeakPolarHBondContact CA-O 3.47Å; Y65-Y80 PolarHBondContact N-O 3.1Å; Y65-Y80 PolarHBondContact O-N 3.04Å; T67-Y80 HydrophobicContact CG2-CD2 4.22Å; T67-Y80 HydrophobicContact CG2-CE2 3.96Å; E78-Y80 HydrophobicContact CB-CD2 4.06Å; E78-Y80 HydrophobicContact CB-CE2 3.36Å; E78-Y80 HydrophobicContact CG-CE2 4.32Å; E78-Y80 PolarHBondContact OE1-OH 3.35Å; E78-Y80 WeakPolarHBondContact OE2-CE2 3.06Å; E78-Y80 PolarHBondContact OE2-OH 2.91Å; Y80-K89 HydrophobicContact CD1-CD 4.37Å; Y80-K89 HydrophobicContact CD1-CG 3.87Å; Y80-K89 HydrophobicContact CG-CD 4.48Å; Y80-K89 HydrophobicContact CG-CG 4.2Å; Y80-Q90 CarbonylContact C-O 3.52Å; Y80-Q90 WeakPolarHBondContact CA-O 3.5Å; Y80-R91 HydrophobicContact CD1-CB 3.8Å; Y80-R91 HydrophobicContact CD1-CG 4.38Å; Y80-R91 HydrophobicContact CE1-CB 3.52Å; Y80-R91 HydrophobicContact CE1-CG 4.05Å
81V92.8Very high89.6Confident0 Ų060 Ų600%031%0.311CS..EExtended strand (participates in β ladder)trans-112.8138163.359.20000108.8F62 R63 I64 K89 Q90 I92 L142 L145 V146F62-V81 HydrophobicContact CB-CG2 4.31Å; F62-V81 HydrophobicContact CD1-CG2 4.48Å; R63-V81 CarbonylContact O-C 3.53Å; R63-V81 VanDerWaalsContact O-CA 3.31Å; R63-V81 WeakPolarHBondContact O-CA 3.43Å; I64-V81 HydrophobicContact CD1-CB 3.86Å; I64-V81 HydrophobicContact CD1-CG2 3.87Å; V81-K89 WeakPolarHBondContact O-CA 3.38Å; V81-Q90 HydrophobicContact CG1-CB 4.48Å; V81-Q90 PolarHBondContact N-O 2.99Å; V81-Q90 PolarHBondContact O-N 3.35Å; V81-I92 HydrophobicContact CB-CG2 4.38Å; V81-I92 HydrophobicContact CG1-CG2 3.58Å; V81-L142 HydrophobicContact CB-CD2 4.08Å; V81-L142 HydrophobicContact CG1-CD2 3.32Å; V81-L142 HydrophobicContact CG2-CD2 3.86Å; V81-L145 HydrophobicContact CG2-CD1 4.44Å; V81-V146 HydrophobicContact CG1-CG2 4.1Å
82E91.5Very high90Very high26 Ų2658 Ų5812%0.12129%0.285CS..EExtended strand (participates in β ladder)trans-133.2147179.7-166.9-171.5-10800110F62 R63 Y65 D88 K89F62-E82 CarbonylContact C-O 3.59Å; F62-E82 WeakPolarHBondContact CA-O 3.25Å; R63-E82 HydrophobicContact CB-CB 4.39Å; R63-E82 PolarHBondContact N-O 2.79Å; R63-E82 IonicContact NH1-OE2 3.5Å; R63-E82 PolarHBondContact NH1-OE2 3.1Å; R63-E82 PolarHBondContact O-N 3.17Å; Y65-E82 HydrophobicContact CD2-CB 4.15Å; Y65-E82 HydrophobicContact CE2-CB 3.78Å; Y65-E82 HydrophobicContact CE2-CG 4.42Å; Y65-E82 WeakPolarHBondContact CE2-OE2 3.22Å; Y65-E82 PolarHBondContact OH-OE2 3.41Å; E82-D88 VanDerWaalsContact CA-O 3.28Å; E82-D88 WeakPolarHBondContact CA-O 3.28Å; E82-D88 WeakPolarHBondContact CG-O 3.27Å; E82-K89 HydrophobicContact CB-CB 4.36Å; E82-K89 HydrophobicContact CB-CG 4.29Å; E82-K89 HydrophobicContact CG-CB 4.05Å; E82-K89 HydrophobicContact CG-CG 4.41Å
83T87.3Confident90.3Very high32 Ų3252.1 Ų52.120%0.19626%0.263CS..EExtended strand (participates in β ladder)trans-72.9152.3168.343.30000110.4F62 D85 G86 D88 L142F62-T83 HydrophobicContact CE1-CG2 4.42Å; T83-D85 PolarHBondContact O-N 3.15Å; T83-D85 VanDerWaalsContact O-N 3.09Å; T83-G86 PolarHBondContact O-N 2.94Å; T83-D88 PolarHBondContact N-O 3.4Å; T83-L142 HydrophobicContact CG2-CD1 3.42Å; T83-L142 VanDerWaalsContact CG2-CD1 3.42Å; T83-L142 HydrophobicContact CG2-CG 4.02Å
84K79.6Confident90.6Very high109 Ų10952.9 Ų52.947%0.47426%0.264SS..THydrogen-bonded Turntrans-53.5-32.7178.2-170.7-176.4-167.9161.50113.7E60 H61 R63 G86E60-K84 WeakPolarHBondContact O-CD 3.46Å; E60-K84 PolarHBondContact O-NZ 2.93Å; H61-K84 WeakPolarHBondContact O-CB 3.35Å; H61-K84 PolarHBondContact O-N 3.49Å; R63-K84 PolarHBondContact NH1-O 3.31Å; R63-K84 PolarHBondContact NH2-O 2.91Å; K84-G86 VanDerWaalsContact C-N 3.25Å; K84-G86 PolarHBondContact O-N 3.43Å
85D79.5Confident90.8Very high130 Ų13052 Ų5270%0.69526%0.259SS*.THydrogen-bonded Turntrans-80.5-6.6-178-54.2-41.5000112.9T83 E87T83-D85 PolarHBondContact O-N 3.15Å; T83-D85 VanDerWaalsContact O-N 3.09Å; D85-E87 HydrophobicContact CB-CG 4.11Å; D85-E87 PolarHBondContact O-N 3.08Å
86G77.5Confident90.9Very high41 Ų4153.9 Ų53.942%0.42327%0.268SS..SBendtrans72.910.3177.200000114.3T83 K84T83-G86 PolarHBondContact O-N 2.94Å; K84-G86 VanDerWaalsContact C-N 3.25Å; K84-G86 PolarHBondContact O-N 3.43Å
87E77.1Confident90.9Very high159 Ų15952.6 Ų52.674%0.74326%0.26SS*.SBendtrans-70.9-34.3-175.8-63.9-170.9152.700112.5D85D85-E87 HydrophobicContact CB-CG 4.11Å; D85-E87 PolarHBondContact O-N 3.08Å
88D84.4Confident90.9Very high77 Ų7754.1 Ų54.141%0.41227%0.27SS..  trans-135.1124.2-176.4-78.7-39.8000110.1E82 T83 L142E82-D88 VanDerWaalsContact CA-O 3.28Å; E82-D88 WeakPolarHBondContact CA-O 3.28Å; E82-D88 WeakPolarHBondContact CG-O 3.27Å; T83-D88 PolarHBondContact N-O 3.4Å; D88-L142 HydrophobicContact CB-CD1 3.38Å; D88-L142 WeakPolarHBondContact O-CD1 3.41Å
89K89.8Confident90.8Very high87 Ų8755 Ų5538%0.37828%0.275SS..EExtended strand (participates in β ladder)trans-121.9122.9171.8-173.3173.5-177.5173.50109.3Y80 V81 E82Y80-K89 HydrophobicContact CD1-CD 4.37Å; Y80-K89 HydrophobicContact CD1-CG 3.87Å; Y80-K89 HydrophobicContact CG-CD 4.48Å; Y80-K89 HydrophobicContact CG-CG 4.2Å; V81-K89 WeakPolarHBondContact O-CA 3.38Å; E82-K89 HydrophobicContact CB-CB 4.36Å; E82-K89 HydrophobicContact CB-CG 4.29Å; E82-K89 HydrophobicContact CG-CB 4.05Å; E82-K89 HydrophobicContact CG-CG 4.41Å
90Q92.4Very high90.8Very high52 Ų5259.2 Ų59.224%0.24330%0.298CS..EExtended strand (participates in β ladder)trans-128.2134.6-176.3-60.7-169.87.500111.7Y80 V81 L142 V146Y80-Q90 CarbonylContact C-O 3.52Å; Y80-Q90 WeakPolarHBondContact CA-O 3.5Å; V81-Q90 HydrophobicContact CG1-CB 4.48Å; V81-Q90 PolarHBondContact N-O 2.99Å; V81-Q90 PolarHBondContact O-N 3.35Å; Q90-L142 PolarHBondContact OE1-O 3.45Å; Q90-V146 HydrophobicContact CB-CG2 3.72Å; Q90-V146 HydrophobicContact CG-CG2 4.48Å
91R93.7Very high91Very high125 Ų12557.1 Ų57.147%0.47229%0.289SS..EExtended strand (participates in β ladder)trans-75.4125.8174.9-165.8174.965-150-4.4109.5E78 Y79 Y80 Q94E78-R91 WeakPolarHBondContact OE1-CD 3.45Å; E78-R91 IonicContact OE1-CZ 2.97Å; E78-R91 IonicContact OE1-NE 3.95Å; E78-R91 IonicContact OE1-NH1 3.9Å; E78-R91 PolarHBondContact OE1-NH1 3.42Å; Y79-R91 CarbonylContact O-C 3.55Å; Y79-R91 WeakPolarHBondContact O-CA 3.45Å; Y79-R91 WeakPolarHBondContact O-CG 3.2Å; Y80-R91 HydrophobicContact CD1-CB 3.8Å; Y80-R91 HydrophobicContact CD1-CG 4.38Å; Y80-R91 HydrophobicContact CE1-CB 3.52Å; Y80-R91 HydrophobicContact CE1-CG 4.05Å; R91-Q94 HydrophobicContact CG-CG 4.47Å
92I94.5Very high91.2Very high18 Ų1859.2 Ų59.29%0.09230%0.3CS..EExtended strand (participates in β ladder)trans-101.1-36179.447.5171000111.8I64 Y79 V81 I123 V126 V146 Q149I64-I92 HydrophobicContact CD1-CD1 4.28Å; Y79-I92 WeakPolarHBondContact O-CG1 3.46Å; Y79-I92 PolarHBondContact O-N 2.9Å; V81-I92 HydrophobicContact CB-CG2 4.38Å; V81-I92 HydrophobicContact CG1-CG2 3.58Å; I92-I123 HydrophobicContact CD1-CB 4.5Å; I92-I123 HydrophobicContact CD1-CG2 4.01Å; I92-V126 HydrophobicContact CD1-CG2 3.61Å; I92-V126 HydrophobicContact CG2-CG2 4.04Å; I92-V146 HydrophobicContact CG2-CB 4.46Å; I92-V146 HydrophobicContact CG2-CG1 4.36Å; I92-V146 HydrophobicContact CG2-CG2 3.66Å; I92-Q149 PolarHBondContact O-OE1 3.25Å
93A95.9Very high91.6Very high18 Ų1858 Ų5815%0.14929%0.294CS..EExtended strand (participates in β ladder)trans-152.9168.8-17700000112.1Y79 K122Y79-A93 HydrophobicContact CD2-CB 3.89Å; Y79-A93 HydrophobicContact CG-CB 4.31Å; Y79-A93 PolarHBondContact N-O 3.47Å; Y79-A93 PolarHBondContact O-N 3.27Å; A93-K122 HydrophobicContact CB-CB 3.94Å; A93-K122 HydrophobicContact CB-CD 3.99Å; A93-K122 HydrophobicContact CB-CG 4.4Å
94Q97.1Very high92Very high78 Ų7859.4 Ų59.436%0.36430%0.3SS..EExtended strand (participates in β ladder)trans-139158.9171.1-64.6-176.2-37.100110.7T76 I77 E78 R91 K122T76-Q94 HydrophobicContact CG2-CB 4.16Å; T76-Q94 HydrophobicContact CG2-CG 4.26Å; I77-Q94 CarbonylContact O-C 3.54Å; I77-Q94 WeakPolarHBondContact O-CA 3Å; E78-Q94 HydrophobicContact CG-CG 4.18Å; E78-Q94 PolarHBondContact OE1-NE2 2.95Å; R91-Q94 HydrophobicContact CG-CG 4.47Å; Q94-K122 PolarHBondContact O-NZ 3.46Å; Q94-K122 VanDerWaalsContact O-NZ 3.08Å
95A97.8Very high92.8Very high2 Ų257.1 Ų57.12%0.01731%0.308CS..EExtended strand (participates in β ladder)trans-147.4161.7171.300000110.5T76 I77 Y79 I103 D104T76-A95 CarbonylContact C-O 3.52Å; T76-A95 WeakPolarHBondContact CA-O 3.31Å; I77-A95 HydrophobicContact CB-CB 4.41Å; I77-A95 PolarHBondContact N-O 3.44Å; I77-A95 PolarHBondContact O-N 3.44Å; Y79-A95 HydrophobicContact CE2-CB 4.01Å; A95-I103 HydrophobicContact CB-CG2 3.54Å; A95-D104 WeakPolarHBondContact CA-OD1 3.46Å
96Q98.1Very high93.7Very high89 Ų8959 Ų5942%0.41631%0.31SS..EExtended strand (participates in β ladder)trans-108.8118.3178.4-64.2-60.3-24.100111.3H75 T76 I103 D104H75-Q96 CarbonylContact O-C 3.58Å; H75-Q96 WeakPolarHBondContact O-CA 3.39Å; H75-Q96 PolarHBondContact O-OE1 3.07Å; T76-Q96 PolarHBondContact OG1-NE2 3.47Å; T76-Q96 PolarHBondContact OG1-OE1 2.74Å; T76-Q96 VanDerWaalsContact OG1-OE1 3.07Å; Q96-I103 CarbonylContact O-C 3.52Å; Q96-I103 VanDerWaalsContact O-CA 3.29Å; Q96-I103 WeakPolarHBondContact O-CA 3.43Å; Q96-D104 PolarHBondContact N-OD1 3.42Å; Q96-D104 PolarHBondContact O-N 3.29Å
97L97.8Very high94.6Very high1 Ų158.1 Ų58.11%0.00530%0.296CS..BIsolated β-bridgetrans-90.6115.8172173.962.6000110.4L20 Q23 W24 L68 H75 I77 I103 I109L20-L97 HydrophobicContact CD1-CD2 4.13Å; L20-L97 HydrophobicContact CD1-CG 4.29Å; Q23-L97 HydrophobicContact CB-CD1 4.15Å; Q23-L97 HydrophobicContact CB-CD2 4.17Å; Q23-L97 HydrophobicContact CB-CG 4.42Å; W24-L97 HydrophobicContact CB-CD2 4.1Å; W24-L97 HydrophobicContact CE3-CD2 4.36Å; L68-L97 HydrophobicContact CD2-CD2 4.36Å; H75-L97 WeakPolarHBondContact CB-O 3.47Å; H75-L97 PolarHBondContact ND1-O 3.21Å; H75-L97 PolarHBondContact O-N 2.78Å; I77-L97 HydrophobicContact CD1-CB 4.06Å; I77-L97 HydrophobicContact CG1-CB 4.09Å; L97-I103 HydrophobicContact CB-CD1 3.91Å; L97-I103 HydrophobicContact CD1-CD1 3.46Å; L97-I103 VanDerWaalsContact CD1-CD1 3.46Å; L97-I103 HydrophobicContact CG-CD1 4.27Å; L97-I109 HydrophobicContact CD1-CD1 4.34Å; L97-I109 HydrophobicContact CD1-CG2 3.85Å
98S96.8Very high95.6Very high31 Ų3153.1 Ų53.122%0.21727%0.274CS..  trans-86161.6176.270.50000112.7D100 G101 M102S98-D100 WeakPolarHBondContact CB-OD1 3.28Å; S98-D100 PolarHBondContact O-N 3.07Å; S98-D100 PolarHBondContact OG-OD1 2.92Å; S98-G101 PolarHBondContact O-N 3.41Å; S98-M102 PolarHBondContact N-O 2.79Å; S98-M102 WeakPolarHBondContact OG-CA 3.43Å; S98-M102 WeakPolarHBondContact OG-CB 3.45Å; S98-M102 PolarHBondContact OG-N 3.27Å; S98-M102 PolarHBondContact OG-O 3.12Å; S98-M102 VanDerWaalsContact OG-O 3.05Å
99I94.9Very high96.3Very high35 Ų3549.5 Ų49.518%0.17926%0.255CS..THydrogen-bonded Turntrans-70.1-17.2-177.5-159.662.9000113.8R19 L20R19-I99 HydrophobicContact CB-CD1 3.84Å; R19-I99 HydrophobicContact CB-CG1 4.4Å; R19-I99 HydrophobicContact CG-CD1 3.69Å; R19-I99 HydrophobicContact CG-CG1 3.87Å; R19-I99 PolarHBondContact NE-O 3.3Å; R19-I99 PolarHBondContact NH2-O 2.97Å; L20-I99 HydrophobicContact CB-CD1 3.77Å
100D95.5Very high96.7Very high90 Ų9051.8 Ų51.848%0.48126%0.261SS..THydrogen-bonded Turntrans-87.5-6.4173.356-38000113.1S98S98-D100 WeakPolarHBondContact CB-OD1 3.28Å; S98-D100 PolarHBondContact O-N 3.07Å; S98-D100 PolarHBondContact OG-OD1 2.92Å
101G96.7Very high96.9Very high0 Ų051.9 Ų51.90%026%0.263CS..SBendtrans86.440.517600000113.1S98 I109S98-G101 PolarHBondContact O-N 3.41Å; G101-I109 VanDerWaalsContact O-CG1 3.3Å; G101-I109 WeakPolarHBondContact O-CG1 3.48Å; G101-I109 WeakPolarHBondContact O-CG2 3.48Å; G101-I109 PolarHBondContact O-N 3.39Å
102M98.4Very high97Very high44 Ų4451.4 Ų51.422%0.21726%0.262CS..EExtended strand (participates in β ladder)trans-113140.1170.9-57.8-62.3-67.400109.7S98 K106 V107 N108S98-M102 PolarHBondContact N-O 2.79Å; S98-M102 WeakPolarHBondContact OG-CA 3.43Å; S98-M102 WeakPolarHBondContact OG-CB 3.45Å; S98-M102 PolarHBondContact OG-N 3.27Å; S98-M102 PolarHBondContact OG-O 3.12Å; S98-M102 VanDerWaalsContact OG-O 3.05Å; M102-K106 VanDerWaalsContact CE-C 3.43Å; M102-K106 VanDerWaalsContact CE-O 3.29Å; M102-K106 WeakPolarHBondContact CE-O 3.25Å; M102-V107 CarbonylContact C-O 3.47Å; M102-V107 VanDerWaalsContact CA-O 3.24Å; M102-V107 WeakPolarHBondContact CA-O 3.39Å; M102-N108 HydrophobicContact CE-CB 4.48Å; M102-N108 HydrophobicContact SD-CB 4.07Å
103I98.2Very high97Very high0 Ų056.4 Ų56.40%028%0.284CS..EExtended strand (participates in β ladder)trans-97130.9167.9-47.7-58000109.7Y27 I77 A95 Q96 L97 G105 K106 V107 I109 H118Y27-I103 HydrophobicContact CD2-CD1 3.98Å; Y27-I103 HydrophobicContact CD2-CG1 4.07Å; Y27-I103 HydrophobicContact CE2-CD1 4.32Å; Y27-I103 HydrophobicContact CE2-CG1 4.15Å; I77-I103 HydrophobicContact CD1-CD1 3.56Å; A95-I103 HydrophobicContact CB-CG2 3.54Å; Q96-I103 CarbonylContact O-C 3.52Å; Q96-I103 VanDerWaalsContact O-CA 3.29Å; Q96-I103 WeakPolarHBondContact O-CA 3.43Å; L97-I103 HydrophobicContact CB-CD1 3.91Å; L97-I103 HydrophobicContact CD1-CD1 3.46Å; L97-I103 VanDerWaalsContact CD1-CD1 3.46Å; L97-I103 HydrophobicContact CG-CD1 4.27Å; I103-G105 PolarHBondContact O-N 2.89Å; I103-K106 PolarHBondContact O-N 3.5Å; I103-V107 HydrophobicContact CB-CB 4.03Å; I103-V107 HydrophobicContact CB-CG1 4.42Å; I103-V107 HydrophobicContact CG1-CG1 4.46Å; I103-V107 PolarHBondContact N-O 3.45Å; I103-V107 PolarHBondContact O-N 2.93Å; I103-I109 HydrophobicContact CD1-CG2 3.54Å; I103-I109 HydrophobicContact CG1-CG2 3.65Å; I103-H118 WeakPolarHBondContact CG2-CE1 3.32Å; I103-H118 WeakPolarHBondContact CG2-NE2 3.32Å
104D97.5Very high97.1Very high61 Ų6158.7 Ų58.733%0.32629%0.292SS..THydrogen-bonded Turntrans52.125.5-179.2-60.6-33.1000112.3A95 Q96 K106 H118 K122A95-D104 WeakPolarHBondContact CA-OD1 3.46Å; Q96-D104 PolarHBondContact N-OD1 3.42Å; Q96-D104 PolarHBondContact O-N 3.29Å; D104-K106 PolarHBondContact O-N 3.28Å; D104-H118 IonicContact OD2-CD2 3.07Å; D104-H118 IonicContact OD2-CE1 3.86Å; D104-H118 IonicContact OD2-NE2 2.92Å; D104-H118 PolarHBondContact OD2-NE2 3.42Å; D104-K122 IonicContact OD2-NZ 3.77Å; D104-K122 PolarHBondContact OD2-NZ 2.88Å; D104-K122 VanDerWaalsContact OD2-NZ 3.07Å
105G96.3Very high97.1Very high61 Ų6155 Ų5563%0.62928%0.275SS*.THydrogen-bonded Turntrans69.65.9-175.500000115.9I103I103-G105 PolarHBondContact O-N 2.89Å
106K96.6Very high97Very high171 Ų17155.8 Ų55.874%0.74328%0.279SS*.THydrogen-bonded Turntrans-124.4-40.2-169.8-64.7175.5-173.5176.40114.1M102 I103 D104M102-K106 VanDerWaalsContact CE-C 3.43Å; M102-K106 VanDerWaalsContact CE-O 3.29Å; M102-K106 WeakPolarHBondContact CE-O 3.25Å; I103-K106 PolarHBondContact O-N 3.5Å; D104-K106 PolarHBondContact O-N 3.28Å
107V98Very high96.9Very high21 Ų2157.3 Ų57.313%0.12729%0.286CS..EExtended strand (participates in β ladder)trans-96.5122.8-170.8169.90000109.5M102 I103 I109 Q114 V115 H118M102-V107 CarbonylContact C-O 3.47Å; M102-V107 VanDerWaalsContact CA-O 3.24Å; M102-V107 WeakPolarHBondContact CA-O 3.39Å; I103-V107 HydrophobicContact CB-CB 4.03Å; I103-V107 HydrophobicContact CB-CG1 4.42Å; I103-V107 HydrophobicContact CG1-CG1 4.46Å; I103-V107 PolarHBondContact N-O 3.45Å; I103-V107 PolarHBondContact O-N 2.93Å; V107-I109 PolarHBondContact O-N 3.27Å; V107-Q114 HydrophobicContact CG1-CB 3.91Å; V107-V115 HydrophobicContact CG1-CG2 4.22Å; V107-H118 HydrophobicContact CG1-CB 4.19Å; V107-H118 HydrophobicContact CG2-CB 3.96Å
108N98.2Very high96.9Very high55 Ų5557.7 Ų57.729%0.29429%0.288SS..EExtended strand (participates in β ladder)trans-78120.3176.1-178.1-7.5000110.6M102 R110 D111M102-N108 HydrophobicContact CE-CB 4.48Å; M102-N108 HydrophobicContact SD-CB 4.07Å; N108-R110 PolarHBondContact O-N 3.43Å; N108-R110 WeakPolarHBondContact OD1-CB 3.44Å; N108-R110 PolarHBondContact OD1-N 3.35Å; N108-D111 HydrophobicContact CB-CB 4.32Å; N108-D111 PolarHBondContact O-N 3.18Å
109I97.9Very high96.9Very high0 Ų056.2 Ų56.20%028%0.277CS..THydrogen-bonded Turntrans-64.8-16-178.468.3175.3000114.1Q23 I26 Y27 S30 L97 G101 I103 V107 D111Q23-I109 HydrophobicContact CB-CD1 3.8Å; Q23-I109 HydrophobicContact CG-CD1 4.29Å; Q23-I109 VanDerWaalsContact O-CD1 3.23Å; Q23-I109 WeakPolarHBondContact O-CD1 3.24Å; I26-I109 HydrophobicContact CB-CD1 3.87Å; I26-I109 HydrophobicContact CB-CG1 4.42Å; I26-I109 HydrophobicContact CG2-CB 4.43Å; I26-I109 HydrophobicContact CG2-CD1 3.74Å; I26-I109 HydrophobicContact CG2-CG1 3.73Å; Y27-I109 HydrophobicContact CD2-CG2 4.1Å; S30-I109 WeakPolarHBondContact CB-O 3.46Å; S30-I109 PolarHBondContact OG-O 3Å; L97-I109 HydrophobicContact CD1-CD1 4.34Å; L97-I109 HydrophobicContact CD1-CG2 3.85Å; G101-I109 VanDerWaalsContact O-CG1 3.3Å; G101-I109 WeakPolarHBondContact O-CG1 3.48Å; G101-I109 WeakPolarHBondContact O-CG2 3.48Å; G101-I109 PolarHBondContact O-N 3.39Å; I103-I109 HydrophobicContact CD1-CG2 3.54Å; I103-I109 HydrophobicContact CG1-CG2 3.65Å; V107-I109 PolarHBondContact O-N 3.27Å; I109-D111 VanDerWaalsContact C-N 3.34Å
110R97.6Very high96.9Very high135 Ų13557 Ų5751%0.50928%0.281SS..THydrogen-bonded Turntrans-85.6-12177.1-63.4177.2-178.87510.4112.4I26 N108I26-R110 HydrophobicContact CG2-CG 3.95Å; N108-R110 PolarHBondContact O-N 3.43Å; N108-R110 WeakPolarHBondContact OD1-CB 3.44Å; N108-R110 PolarHBondContact OD1-N 3.35Å
111D97.7Very high96.9Very high55 Ų5559.3 Ų59.329%0.29429%0.289SS..  trans-95.2102.9175.3-169.2-29.9000109.4N108 I109 E113 Q114 V115N108-D111 HydrophobicContact CB-CB 4.32Å; N108-D111 PolarHBondContact O-N 3.18Å; I109-D111 VanDerWaalsContact C-N 3.34Å; D111-E113 PolarHBondContact O-N 2.93Å; D111-E113 PolarHBondContact OD1-N 3.38Å; D111-Q114 HydrophobicContact CB-CB 4.15Å; D111-Q114 HydrophobicContact CB-CG 4.03Å; D111-Q114 PolarHBondContact O-N 2.6Å; D111-Q114 PolarHBondContact OD1-N 3.39Å; D111-Q114 PolarHBondContact OD2-NE2 2.98Å; D111-V115 WeakPolarHBondContact O-CB 3.13Å; D111-V115 VanDerWaalsContact O-CG2 3.27Å; D111-V115 WeakPolarHBondContact O-CG2 3.45Å; D111-V115 PolarHBondContact O-N 3.14Å
112R95.2Very high96.9Very high115 Ų11561 Ų6143%0.43430%0.297SS..Hα-helixtrans-60.5-28.4-178.564.9-177.7178.881.18.5113.7L116R112-L116 VanDerWaalsContact O-CB 3.31Å; R112-L116 WeakPolarHBondContact O-CB 3.27Å; R112-L116 PolarHBondContact O-N 3Å; R112-L116 VanDerWaalsContact O-N 3.08Å
113E95.3Very high96.6Very high122 Ų12259 Ų5957%0.5729%0.287SS*.Hα-helixtrans-74.8-49.4-179.9-173165.8-158.300109.9D111 V115 L116 E117D111-E113 PolarHBondContact O-N 2.93Å; D111-E113 PolarHBondContact OD1-N 3.38Å; E113-V115 VanDerWaalsContact C-N 3.3Å; E113-V115 PolarHBondContact O-N 3.25Å; E113-L116 PolarHBondContact O-N 3.11Å; E113-L116 VanDerWaalsContact O-N 3.15Å; E113-E117 WeakPolarHBondContact O-CG 3.23Å; E113-E117 PolarHBondContact O-N 3.03Å
114Q97.6Very high96.4Very high66 Ų6660.8 Ų60.831%0.30830%0.302SS..Hα-helixtrans-60.7-39.9175.4-61.7-179.646.900112.3V107 D111 H118V107-Q114 HydrophobicContact CG1-CB 3.91Å; D111-Q114 HydrophobicContact CB-CB 4.15Å; D111-Q114 HydrophobicContact CB-CG 4.03Å; D111-Q114 PolarHBondContact O-N 2.6Å; D111-Q114 PolarHBondContact OD1-N 3.39Å; D111-Q114 PolarHBondContact OD2-NE2 2.98Å; Q114-H118 VanDerWaalsContact O-CB 3.28Å; Q114-H118 WeakPolarHBondContact O-CB 3.42Å; Q114-H118 PolarHBondContact O-N 3.1Å
115V97.2Very high96.1Very high0 Ų058.7 Ų58.70%029%0.294CS..Hα-helixtrans-64-41.5176.71690000111.5Y27 L31 V107 D111 E113 Y119Y27-V115 HydrophobicContact CD2-CG1 4Å; Y27-V115 HydrophobicContact CD2-CG2 4.39Å; Y27-V115 HydrophobicContact CE2-CG1 3.73Å; L31-V115 HydrophobicContact CB-CG1 3.76Å; L31-V115 HydrophobicContact CD1-CG1 4.24Å; V107-V115 HydrophobicContact CG1-CG2 4.22Å; D111-V115 WeakPolarHBondContact O-CB 3.13Å; D111-V115 VanDerWaalsContact O-CG2 3.27Å; D111-V115 WeakPolarHBondContact O-CG2 3.45Å; D111-V115 PolarHBondContact O-N 3.14Å; E113-V115 VanDerWaalsContact C-N 3.3Å; E113-V115 PolarHBondContact O-N 3.25Å; V115-Y119 WeakPolarHBondContact O-CB 3.3Å; V115-Y119 PolarHBondContact O-N 2.9Å
116L95.6Very high96Very high20 Ų2055.8 Ų55.811%0.10527%0.265CS..Hα-helixtrans-65.9-47.7177.6177.364.5000111.3G34 I35 L42 R112 E113 H118 Y119 L120G34-L116 WeakPolarHBondContact O-CD2 3.16Å; I35-L116 HydrophobicContact CG1-CD1 3.7Å; L42-L116 HydrophobicContact CD1-CD1 4.4Å; R112-L116 VanDerWaalsContact O-CB 3.31Å; R112-L116 WeakPolarHBondContact O-CB 3.27Å; R112-L116 PolarHBondContact O-N 3Å; R112-L116 VanDerWaalsContact O-N 3.08Å; E113-L116 PolarHBondContact O-N 3.11Å; E113-L116 VanDerWaalsContact O-N 3.15Å; L116-H118 VanDerWaalsContact C-N 3.34Å; L116-H118 PolarHBondContact O-N 3.08Å; L116-Y119 PolarHBondContact O-N 2.9Å; L116-L120 HydrophobicContact CD1-CD1 4.21Å; L116-L120 HydrophobicContact CD1-CG 4.24Å; L116-L120 HydrophobicContact CG-CD1 4.04Å; L116-L120 HydrophobicContact CG-CG 4.47Å; L116-L120 VanDerWaalsContact O-CG 3.3Å; L116-L120 WeakPolarHBondContact O-CG 3.35Å; L116-L120 PolarHBondContact O-N 3.45Å
117E96.3Very high95.7Very high120 Ų12050.2 Ų50.256%0.56124%0.239SC*.Hα-helixtrans-59.2-46.2178.6-72.7-178.9169.700111.6E113 Y119 L120 E121E113-E117 WeakPolarHBondContact O-CG 3.23Å; E113-E117 PolarHBondContact O-N 3.03Å; E117-Y119 PolarHBondContact O-N 2.77Å; E117-L120 PolarHBondContact O-N 3.05Å; E117-E121 PolarHBondContact O-N 3.29Å
118H97.5Very high95.5Very high10 Ų1054.2 Ų54.25%0.04626%0.26CS..Hα-helixtrans-59.8-46.1175.1175.6-91.7000112.1I103 D104 V107 Q114 L116 L120 E121 K122I103-H118 WeakPolarHBondContact CG2-CE1 3.32Å; I103-H118 WeakPolarHBondContact CG2-NE2 3.32Å; D104-H118 IonicContact OD2-CD2 3.07Å; D104-H118 IonicContact OD2-CE1 3.86Å; D104-H118 IonicContact OD2-NE2 2.92Å; D104-H118 PolarHBondContact OD2-NE2 3.42Å; V107-H118 HydrophobicContact CG1-CB 4.19Å; V107-H118 HydrophobicContact CG2-CB 3.96Å; Q114-H118 VanDerWaalsContact O-CB 3.28Å; Q114-H118 WeakPolarHBondContact O-CB 3.42Å; Q114-H118 PolarHBondContact O-N 3.1Å; L116-H118 VanDerWaalsContact C-N 3.34Å; L116-H118 PolarHBondContact O-N 3.08Å; H118-L120 VanDerWaalsContact C-N 3.32Å; H118-L120 PolarHBondContact O-N 3.01Å; H118-E121 WeakPolarHBondContact O-CB 3.35Å; H118-E121 PolarHBondContact O-N 3.16Å; H118-K122 WeakPolarHBondContact CE1-CE 3.29Å; H118-K122 WeakPolarHBondContact NE2-CE 3.49Å; H118-K122 WeakPolarHBondContact O-CG 3.5Å; H118-K122 PolarHBondContact O-N 2.96Å; H118-K122 VanDerWaalsContact O-N 3.1Å
119Y96.6Very high95.2Very high0 Ų052.7 Ų52.70%025%0.253CS..Hα-helixtrans-58.6-44.9176.1167.7-103.2000112L31 I35 H44 I64 V66 Y79 V115 L116 E117 E121 K122 I123L31-Y119 HydrophobicContact CD1-CD1 3.77Å; L31-Y119 HydrophobicContact CD1-CD2 4.09Å; L31-Y119 HydrophobicContact CD1-CG 3.51Å; L31-Y119 HydrophobicContact CD2-CD2 3.76Å; L31-Y119 HydrophobicContact CD2-CE2 4.19Å; L31-Y119 HydrophobicContact CD2-CG 4.07Å; L31-Y119 HydrophobicContact CG-CG 4.44Å; I35-Y119 HydrophobicContact CD1-CD1 4.33Å; I35-Y119 HydrophobicContact CD1-CE1 3.93Å; H44-Y119 AromaticContact CD2-CE1 3.95Å; H44-Y119 PolarHBondContact CD2-OH 3.44Å; H44-Y119 VanDerWaalsContact CD2-OH 3.29Å; H44-Y119 AromaticContact NE2-CE1 3.55Å; H44-Y119 AromaticContact NE2-CZ 3.61Å; H44-Y119 PolarHBondContact NE2-OH 2.79Å; I64-Y119 HydrophobicContact CG2-CE2 4.23Å; I64-Y119 WeakPolarHBondContact CG2-OH 3.22Å; V66-Y119 HydrophobicContact CG2-CD2 4.28Å; V66-Y119 HydrophobicContact CG2-CE2 3.76Å; Y79-Y119 HydrophobicContact CD1-CD2 4.19Å; Y79-Y119 HydrophobicContact CD1-CE2 4.34Å; Y79-Y119 AromaticContact CE1-CD2 3.89Å; Y79-Y119 HydrophobicContact CE1-CD2 3.89Å; Y79-Y119 HydrophobicContact CE1-CE2 4.46Å; V115-Y119 WeakPolarHBondContact O-CB 3.3Å; V115-Y119 PolarHBondContact O-N 2.9Å; L116-Y119 PolarHBondContact O-N 2.9Å; E117-Y119 PolarHBondContact O-N 2.77Å; Y119-E121 VanDerWaalsContact C-N 3.31Å; Y119-E121 PolarHBondContact O-N 2.83Å; Y119-K122 PolarHBondContact O-N 3.48Å; Y119-K122 VanDerWaalsContact O-N 3.1Å; Y119-I123 HydrophobicContact CD1-CD1 4.22Å; Y119-I123 HydrophobicContact CD2-CG2 4.39Å; Y119-I123 HydrophobicContact CE1-CD1 3.48Å; Y119-I123 VanDerWaalsContact CE1-CD1 3.48Å; Y119-I123 HydrophobicContact CE1-CG1 4.32Å; Y119-I123 HydrophobicContact CE2-CD1 4.45Å; Y119-I123 HydrophobicContact CE2-CG2 3.89Å; Y119-I123 PolarHBondContact O-N 3.45Å
120L95Very high94.8Very high50 Ų5053.2 Ų53.226%0.26226%0.256SS..Hα-helixtrans-62.2-39.2178.8-69.7171.9000111.6L42 L116 E117 H118 K122 I123 A124L42-L120 HydrophobicContact CD1-CD2 3.77Å; L42-L120 HydrophobicContact CD2-CD2 3.99Å; L116-L120 HydrophobicContact CD1-CD1 4.21Å; L116-L120 HydrophobicContact CD1-CG 4.24Å; L116-L120 HydrophobicContact CG-CD1 4.04Å; L116-L120 HydrophobicContact CG-CG 4.47Å; L116-L120 VanDerWaalsContact O-CG 3.3Å; L116-L120 WeakPolarHBondContact O-CG 3.35Å; L116-L120 PolarHBondContact O-N 3.45Å; E117-L120 PolarHBondContact O-N 3.05Å; H118-L120 VanDerWaalsContact C-N 3.32Å; H118-L120 PolarHBondContact O-N 3.01Å; L120-K122 VanDerWaalsContact C-N 3.32Å; L120-K122 PolarHBondContact O-N 2.9Å; L120-I123 HydrophobicContact CD2-CD1 4.31Å; L120-I123 PolarHBondContact O-N 3.02Å; L120-A124 WeakPolarHBondContact O-CA 3.29Å; L120-A124 WeakPolarHBondContact O-CB 3.35Å; L120-A124 PolarHBondContact O-N 3.07Å
121E96.2Very high94.6Very high139 Ų13953.9 Ų53.965%0.6526%0.26SS*.Hα-helixtrans-58.1-43.6172.5-172.3-173.5177.300111.5E117 H118 Y119 I123 A124E117-E121 PolarHBondContact O-N 3.29Å; H118-E121 WeakPolarHBondContact O-CB 3.35Å; H118-E121 PolarHBondContact O-N 3.16Å; Y119-E121 VanDerWaalsContact C-N 3.31Å; Y119-E121 PolarHBondContact O-N 2.83Å; E121-I123 VanDerWaalsContact C-N 3.27Å; E121-I123 PolarHBondContact O-N 3.21Å; E121-A124 PolarHBondContact O-N 2.76Å
122K95.7Very high94.3Very high37 Ų3754.7 Ų54.716%0.16127%0.267CS..Hα-helixtrans-66.9-24.6179.8-61-57.4176.3169.40113.9Y79 A93 Q94 D104 H118 Y119 L120Y79-K122 HydrophobicContact CD1-CB 4.22Å; Y79-K122 HydrophobicContact CD2-CB 4.13Å; Y79-K122 HydrophobicContact CD2-CG 4.2Å; Y79-K122 HydrophobicContact CE1-CB 4.29Å; Y79-K122 HydrophobicContact CE1-CG 4.4Å; Y79-K122 HydrophobicContact CE2-CB 4.19Å; Y79-K122 HydrophobicContact CE2-CD 4.36Å; Y79-K122 HydrophobicContact CE2-CG 3.81Å; Y79-K122 HydrophobicContact CG-CB 4.16Å; A93-K122 HydrophobicContact CB-CB 3.94Å; A93-K122 HydrophobicContact CB-CD 3.99Å; A93-K122 HydrophobicContact CB-CG 4.4Å; Q94-K122 PolarHBondContact O-NZ 3.46Å; Q94-K122 VanDerWaalsContact O-NZ 3.08Å; D104-K122 IonicContact OD2-NZ 3.77Å; D104-K122 PolarHBondContact OD2-NZ 2.88Å; D104-K122 VanDerWaalsContact OD2-NZ 3.07Å; H118-K122 WeakPolarHBondContact CE1-CE 3.29Å; H118-K122 WeakPolarHBondContact NE2-CE 3.49Å; H118-K122 WeakPolarHBondContact O-CG 3.5Å; H118-K122 PolarHBondContact O-N 2.96Å; H118-K122 VanDerWaalsContact O-N 3.1Å; Y119-K122 PolarHBondContact O-N 3.48Å; Y119-K122 VanDerWaalsContact O-N 3.1Å; L120-K122 VanDerWaalsContact C-N 3.32Å; L120-K122 PolarHBondContact O-N 2.9Å
123I93.5Very high94.1Very high1 Ų149.7 Ų49.71%0.00525%0.25CC..Hα-helixtrans-108.7-2.2-179.471167.5000113.7H44 I64 I92 Y119 L120 E121 G125 V126 Y127H44-I123 WeakPolarHBondContact NE2-CD1 3.24Å; I64-I123 HydrophobicContact CG2-CG2 4.14Å; I92-I123 HydrophobicContact CD1-CB 4.5Å; I92-I123 HydrophobicContact CD1-CG2 4.01Å; Y119-I123 HydrophobicContact CD1-CD1 4.22Å; Y119-I123 HydrophobicContact CD2-CG2 4.39Å; Y119-I123 HydrophobicContact CE1-CD1 3.48Å; Y119-I123 VanDerWaalsContact CE1-CD1 3.48Å; Y119-I123 HydrophobicContact CE1-CG1 4.32Å; Y119-I123 HydrophobicContact CE2-CD1 4.45Å; Y119-I123 HydrophobicContact CE2-CG2 3.89Å; Y119-I123 PolarHBondContact O-N 3.45Å; L120-I123 HydrophobicContact CD2-CD1 4.31Å; L120-I123 PolarHBondContact O-N 3.02Å; E121-I123 VanDerWaalsContact C-N 3.27Å; E121-I123 PolarHBondContact O-N 3.21Å; I123-G125 VanDerWaalsContact C-N 3.28Å; I123-G125 PolarHBondContact O-N 2.98Å; I123-V126 WeakPolarHBondContact O-CB 3.26Å; I123-V126 PolarHBondContact O-N 3.09Å; I123-Y127 HydrophobicContact CD1-CD2 4.27Å; I123-Y127 HydrophobicContact CD1-CE2 3.65Å; I123-Y127 HydrophobicContact CG1-CD2 4.33Å; I123-Y127 HydrophobicContact CG1-CE2 4.19Å; I123-Y127 PolarHBondContact O-N 2.98Å
124A93.6Very high93.9Very high38 Ų3849.4 Ų49.431%0.31425%0.251SS..Hα-helixtrans-54.1-44.1-175.500000112.1L120 E121 V126 Y127 D128L120-A124 WeakPolarHBondContact O-CA 3.29Å; L120-A124 WeakPolarHBondContact O-CB 3.35Å; L120-A124 PolarHBondContact O-N 3.07Å; E121-A124 PolarHBondContact O-N 2.76Å; A124-V126 PolarHBondContact O-N 3.48Å; A124-V126 VanDerWaalsContact O-N 3.16Å; A124-Y127 WeakPolarHBondContact O-CA 3.46Å; A124-Y127 WeakPolarHBondContact O-CB 3.46Å; A124-Y127 PolarHBondContact O-N 3.45Å; A124-D128 PolarHBondContact O-N 2.88Å
125G91.5Very high93.8Very high16 Ų1651.5 Ų51.517%0.16526%0.261CS..Hα-helixtrans-62.3-24.9178.800000114.5I123 S129I123-G125 VanDerWaalsContact C-N 3.28Å; I123-G125 PolarHBondContact O-N 2.98Å; G125-S129 WeakPolarHBondContact O-CB 3.38Å; G125-S129 PolarHBondContact O-N 3.01Å; G125-S129 VanDerWaalsContact O-N 3.09Å; G125-S129 PolarHBondContact O-OG 3.31Å
126V92.4Very high93.6Very high1 Ų156.1 Ų56.11%0.00629%0.286CS..Hα-helixtrans-68.8-45171.8-1790000109.8L58 I92 I123 A124 S129 L130 L145L58-V126 HydrophobicContact CD2-CG1 4.24Å; I92-V126 HydrophobicContact CD1-CG2 3.61Å; I92-V126 HydrophobicContact CG2-CG2 4.04Å; I123-V126 WeakPolarHBondContact O-CB 3.26Å; I123-V126 PolarHBondContact O-N 3.09Å; A124-V126 PolarHBondContact O-N 3.48Å; A124-V126 VanDerWaalsContact O-N 3.16Å; V126-S129 PolarHBondContact O-N 3.49Å; V126-L130 HydrophobicContact CG1-CD1 3.97Å; V126-L130 HydrophobicContact CG1-CG 4.39Å; V126-L130 WeakPolarHBondContact O-CB 3.45Å; V126-L130 VanDerWaalsContact O-CG 3.22Å; V126-L130 WeakPolarHBondContact O-CG 3.19Å; V126-L130 PolarHBondContact O-N 3.29Å; V126-L145 HydrophobicContact CG1-CD1 4.44Å
127Y92.2Very high93.4Very high54 Ų5462.3 Ų62.321%0.21232%0.319CS..Hα-helixtrans-63-44.7176.2-83.6-82.9000112.3L42 H44 L58 F59 I123 A124 S129 L130 Y131L42-Y127 PolarHBondContact O-OH 3.32Å; H44-Y127 AromaticContact CE1-CE2 3.94Å; H44-Y127 AromaticContact CE1-CZ 3.84Å; H44-Y127 PolarHBondContact CE1-OH 2.8Å; H44-Y127 PolarHBondContact ND1-OH 3.44Å; H44-Y127 VanDerWaalsContact ND1-OH 3.09Å; L58-Y127 HydrophobicContact CD1-CE1 4.01Å; L58-Y127 HydrophobicContact CD1-CE2 4.41Å; L58-Y127 VanDerWaalsContact CD1-OH 3.31Å; L58-Y127 WeakPolarHBondContact CD1-OH 3.19Å; F59-Y127 HydrophobicContact CE2-CD1 4.4Å; F59-Y127 HydrophobicContact CE2-CE1 4.01Å; F59-Y127 HydrophobicContact CZ-CD1 4.49Å; F59-Y127 AromaticContact CZ-CE1 3.94Å; F59-Y127 HydrophobicContact CZ-CE1 3.94Å; I123-Y127 HydrophobicContact CD1-CD2 4.27Å; I123-Y127 HydrophobicContact CD1-CE2 3.65Å; I123-Y127 HydrophobicContact CG1-CD2 4.33Å; I123-Y127 HydrophobicContact CG1-CE2 4.19Å; I123-Y127 PolarHBondContact O-N 2.98Å; A124-Y127 WeakPolarHBondContact O-CA 3.46Å; A124-Y127 WeakPolarHBondContact O-CB 3.46Å; A124-Y127 PolarHBondContact O-N 3.45Å; Y127-S129 VanDerWaalsContact C-N 3.32Å; Y127-S129 PolarHBondContact O-N 3.42Å; Y127-L130 PolarHBondContact O-N 3.03Å; Y127-Y131 VanDerWaalsContact O-CB 3.3Å; Y127-Y131 WeakPolarHBondContact O-CB 3.32Å; Y127-Y131 PolarHBondContact O-N 2.9Å
128D92.5Very high93.1Very high104 Ų10459.8 Ų59.856%0.55631%0.312SS*.Hα-helixtrans-59.7-46178.5-66.4-25.5000110.6A124 L130 Y131 T132A124-D128 PolarHBondContact O-N 2.88Å; D128-L130 PolarHBondContact O-N 3.07Å; D128-Y131 PolarHBondContact O-N 3.33Å; D128-T132 PolarHBondContact O-N 3.28Å; D128-T132 PolarHBondContact O-OG1 3.27Å; D128-T132 VanDerWaalsContact O-OG1 3.11Å
129S91.4Very high92.6Very high23 Ų2364.8 Ų64.816%0.16135%0.345CS..Hα-helixtrans-65.5-41.3179.2-58.20000112.5G125 V126 Y127 A133 L145G125-S129 WeakPolarHBondContact O-CB 3.38Å; G125-S129 PolarHBondContact O-N 3.01Å; G125-S129 VanDerWaalsContact O-N 3.09Å; G125-S129 PolarHBondContact O-OG 3.31Å; V126-S129 PolarHBondContact O-N 3.49Å; Y127-S129 VanDerWaalsContact C-N 3.32Å; Y127-S129 PolarHBondContact O-N 3.42Å; S129-A133 WeakPolarHBondContact O-CB 3.45Å; S129-A133 PolarHBondContact O-N 2.99Å; S129-L145 PolarHBondContact OG-O 3.29Å
130L91.1Very high92.1Very high12 Ų1266.8 Ų66.86%0.06336%0.357CS..Hα-helixtrans-62.5-46174.3-74172.1000111L58 F59 F62 V126 Y127 D128 A133 I134 V140 L145L58-L130 HydrophobicContact CD2-CD1 3.59Å; F59-L130 HydrophobicContact CD2-CD1 4.05Å; F59-L130 HydrophobicContact CE2-CD1 3.96Å; F62-L130 HydrophobicContact CD2-CD1 4.49Å; F62-L130 HydrophobicContact CD2-CD2 4.1Å; F62-L130 HydrophobicContact CE2-CD2 3.5Å; F62-L130 HydrophobicContact CZ-CD2 4.02Å; V126-L130 HydrophobicContact CG1-CD1 3.97Å; V126-L130 HydrophobicContact CG1-CG 4.39Å; V126-L130 WeakPolarHBondContact O-CB 3.45Å; V126-L130 VanDerWaalsContact O-CG 3.22Å; V126-L130 WeakPolarHBondContact O-CG 3.19Å; V126-L130 PolarHBondContact O-N 3.29Å; Y127-L130 PolarHBondContact O-N 3.03Å; D128-L130 PolarHBondContact O-N 3.07Å; L130-A133 PolarHBondContact O-N 3.39Å; L130-I134 VanDerWaalsContact O-CG1 3.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.39Å; L130-I134 PolarHBondContact O-N 3.47Å; L130-V140 HydrophobicContact CD2-CB 4.36Å; L130-V140 HydrophobicContact CD2-CG1 3.73Å; L130-V140 HydrophobicContact CD2-CG2 3.85Å; L130-L145 HydrophobicContact CD2-CD1 4.38Å; L130-L145 HydrophobicContact CD2-CD2 3.77Å; L130-L145 HydrophobicContact CG-CD2 3.76Å
131Y91.9Very high91.4Very high148 Ų14868 Ų6858%0.5836%0.364SS*.Hα-helixtrans-58.7-52178.6178.4-87.9000110.7Y127 D128 A133 I134 E135Y127-Y131 VanDerWaalsContact O-CB 3.3Å; Y127-Y131 WeakPolarHBondContact O-CB 3.32Å; Y127-Y131 PolarHBondContact O-N 2.9Å; D128-Y131 PolarHBondContact O-N 3.33Å; Y131-A133 VanDerWaalsContact C-N 3.32Å; Y131-A133 PolarHBondContact O-N 2.48Å; Y131-I134 PolarHBondContact O-N 3.44Å; Y131-E135 HydrophobicContact CE1-CB 4.27Å; Y131-E135 HydrophobicContact CE1-CG 4.45Å; Y131-E135 VanDerWaalsContact CE1-OE1 3.32Å; Y131-E135 WeakPolarHBondContact CE1-OE1 3.34Å; Y131-E135 VanDerWaalsContact O-CB 3.29Å; Y131-E135 WeakPolarHBondContact O-CB 3Å; Y131-E135 PolarHBondContact O-N 2.84Å; Y131-E135 PolarHBondContact OH-OE1 2.9Å
132T92.2Very high90.6Very high73 Ų7361.6 Ų61.645%0.44833%0.334SS..Hα-helixtrans-59.1-41.8178.6-60.70000112.1D128 E135 N136D128-T132 PolarHBondContact O-N 3.28Å; D128-T132 PolarHBondContact O-OG1 3.27Å; D128-T132 VanDerWaalsContact O-OG1 3.11Å; T132-E135 PolarHBondContact O-N 3.37Å; T132-N136 WeakPolarHBondContact CG2-ND2 3.46Å; T132-N136 WeakPolarHBondContact O-CB 3.31Å; T132-N136 PolarHBondContact O-N 3.13Å; T132-N136 PolarHBondContact O-ND2 3.25Å
133A91.3Very high89.7Confident9 Ų962 Ų627%0.07434%0.341CS..Hα-helixtrans-64.1-45179.600000112.2S129 L130 Y131 N136 N137 V138 V140S129-A133 WeakPolarHBondContact O-CB 3.45Å; S129-A133 PolarHBondContact O-N 2.99Å; L130-A133 PolarHBondContact O-N 3.39Å; Y131-A133 VanDerWaalsContact C-N 3.32Å; Y131-A133 PolarHBondContact O-N 2.48Å; A133-N136 CarbonylContact O-C 3.59Å; A133-N136 PolarHBondContact O-N 3.4Å; A133-N137 PolarHBondContact O-N 3.1Å; A133-N137 VanDerWaalsContact O-N 3.09Å; A133-V138 HydrophobicContact CB-CG2 3.94Å; A133-V138 WeakPolarHBondContact O-CG2 3.43Å; A133-V138 PolarHBondContact O-N 3.5Å; A133-V140 HydrophobicContact CB-CG2 3.58Å
134I91.4Very high88.8Confident117 Ų11766.9 Ų66.960%0.636%0.364SS*.Hα-helixtrans-67.8-42178.2-62.7-59.8000111.2L130 Y131 N136 N137L130-I134 VanDerWaalsContact O-CG1 3.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.39Å; L130-I134 PolarHBondContact O-N 3.47Å; Y131-I134 PolarHBondContact O-N 3.44Å; I134-N136 PolarHBondContact O-N 2.88Å; I134-N137 PolarHBondContact O-N 2.9Å
135E93.9Very high88Confident110 Ų11065.2 Ų65.251%0.51435%0.35SS..Hα-helixtrans-59.1-37.8176.6-174175.3-116.400111.8Y131 T132 N137Y131-E135 HydrophobicContact CE1-CB 4.27Å; Y131-E135 HydrophobicContact CE1-CG 4.45Å; Y131-E135 VanDerWaalsContact CE1-OE1 3.32Å; Y131-E135 WeakPolarHBondContact CE1-OE1 3.34Å; Y131-E135 VanDerWaalsContact O-CB 3.29Å; Y131-E135 WeakPolarHBondContact O-CB 3Å; Y131-E135 PolarHBondContact O-N 2.84Å; Y131-E135 PolarHBondContact OH-OE1 2.9Å; T132-E135 PolarHBondContact O-N 3.37Å; E135-N137 VanDerWaalsContact C-N 3.35Å
136N93.1Very high87.2Confident97 Ų9765.7 Ų65.752%0.51935%0.35SS..THydrogen-bonded Turntrans-893.2178-69.2-75.7000114T132 A133 I134 V138T132-N136 WeakPolarHBondContact CG2-ND2 3.46Å; T132-N136 WeakPolarHBondContact O-CB 3.31Å; T132-N136 PolarHBondContact O-N 3.13Å; T132-N136 PolarHBondContact O-ND2 3.25Å; A133-N136 CarbonylContact O-C 3.59Å; A133-N136 PolarHBondContact O-N 3.4Å; I134-N136 PolarHBondContact O-N 2.88Å; N136-V138 HydrophobicContact CB-CG1 4.29Å; N136-V138 HydrophobicContact CB-CG2 4.41Å; N136-V138 PolarHBondContact O-N 3.3Å
137N92.4Very high86Confident149 Ų14973.3 Ų73.380%0.79738%0.383SS*.THydrogen-bonded Turntrans5339-176.4-60.3-78.3000113.6A133 I134 E135A133-N137 PolarHBondContact O-N 3.1Å; A133-N137 VanDerWaalsContact O-N 3.09Å; I134-N137 PolarHBondContact O-N 2.9Å; E135-N137 VanDerWaalsContact C-N 3.35Å
138V90.4Very high84.4Confident68 Ų6873.7 Ų73.741%0.41240%0.403SS..  trans-106.8146.2176.3-59.20000110.7A133 N136A133-V138 HydrophobicContact CB-CG2 3.94Å; A133-V138 WeakPolarHBondContact O-CG2 3.43Å; A133-V138 PolarHBondContact O-N 3.5Å; N136-V138 HydrophobicContact CB-CG1 4.29Å; N136-V138 HydrophobicContact CB-CG2 4.41Å; N136-V138 PolarHBondContact O-N 3.3Å
139P86.8Confident82.4Confident115 Ų11570.8 Ų70.875%0.74739%0.386SS*.  trans-63.2140.7174.726.8-34.2000110.4
140V84.8Confident79.7Confident42 Ų4274.2 Ų74.226%0.25541%0.41SS..  trans-81.7125.5177.1178.40000109.5F62 L130 A133 L145F62-V140 HydrophobicContact CE1-CG1 4.21Å; F62-V140 HydrophobicContact CE2-CG1 4.37Å; F62-V140 HydrophobicContact CZ-CB 4.04Å; F62-V140 HydrophobicContact CZ-CG1 3.58Å; L130-V140 HydrophobicContact CD2-CB 4.36Å; L130-V140 HydrophobicContact CD2-CG1 3.73Å; L130-V140 HydrophobicContact CD2-CG2 3.85Å; A133-V140 HydrophobicContact CB-CG2 3.58Å; V140-L145 HydrophobicContact CG1-CD1 3.82Å; V140-L145 HydrophobicContact CG1-CD2 3.61Å; V140-L145 HydrophobicContact CG1-CG 3.74Å
141N80.1Confident77.3Confident76 Ų7679.3 Ų79.341%0.40644%0.443SS..  trans-111.6141.1166-175-73.3000110.7S143 Q144 L145N141-S143 VanDerWaalsContact C-N 3.3Å; N141-S143 PolarHBondContact O-N 2.89Å; N141-S143 WeakPolarHBondContact OD1-CB 3.3Å; N141-S143 PolarHBondContact OD1-N 2.97Å; N141-S143 PolarHBondContact OD1-OG 3.48Å; N141-Q144 HydrophobicContact CB-CG 4.3Å; N141-Q144 WeakPolarHBondContact O-CA 3.4Å; N141-Q144 WeakPolarHBondContact O-CB 3.34Å; N141-Q144 PolarHBondContact O-N 3.49Å; N141-L145 PolarHBondContact O-N 3.32Å
142L80.5Confident74.6Confident4 Ų477.1 Ų77.12%0.02146%0.456CS..Hα-helixtrans-53.6-42.4179.7-107.2169.2000113.9V81 T83 D88 Q90 Q144 L145 V146V81-L142 HydrophobicContact CB-CD2 4.08Å; V81-L142 HydrophobicContact CG1-CD2 3.32Å; V81-L142 HydrophobicContact CG2-CD2 3.86Å; T83-L142 HydrophobicContact CG2-CD1 3.42Å; T83-L142 VanDerWaalsContact CG2-CD1 3.42Å; T83-L142 HydrophobicContact CG2-CG 4.02Å; D88-L142 HydrophobicContact CB-CD1 3.38Å; D88-L142 WeakPolarHBondContact O-CD1 3.41Å; Q90-L142 PolarHBondContact OE1-O 3.45Å; L142-Q144 PolarHBondContact O-N 3.03Å; L142-L145 HydrophobicContact CD2-CD1 4.31Å; L142-L145 WeakPolarHBondContact O-CB 3.45Å; L142-L145 PolarHBondContact O-N 3.43Å; L142-V146 PolarHBondContact O-N 3.34Å
143S77.5Confident71.9Confident44 Ų4481.9 Ų81.931%0.30850%0.503SS..Hα-helixtrans-61.7-25.3177.967.20000113.1N141 K147N141-S143 VanDerWaalsContact C-N 3.3Å; N141-S143 PolarHBondContact O-N 2.89Å; N141-S143 WeakPolarHBondContact OD1-CB 3.3Å; N141-S143 PolarHBondContact OD1-N 2.97Å; N141-S143 PolarHBondContact OD1-OG 3.48Å; S143-K147 VanDerWaalsContact O-CG 3.26Å; S143-K147 WeakPolarHBondContact O-CG 3.42Å; S143-K147 PolarHBondContact O-N 3.02Å
144Q74.4Confident70.9Confident105 Ų10585.5 Ų85.549%0.49152%0.524SS..Hα-helixtrans-79.1-35.9174.2-63.4175.7-45.700111.6N141 L142 V146 K147N141-Q144 HydrophobicContact CB-CG 4.3Å; N141-Q144 WeakPolarHBondContact O-CA 3.4Å; N141-Q144 WeakPolarHBondContact O-CB 3.34Å; N141-Q144 PolarHBondContact O-N 3.49Å; L142-Q144 PolarHBondContact O-N 3.03Å; Q144-V146 PolarHBondContact O-N 2.95Å; Q144-K147 PolarHBondContact O-N 2.93Å
145L75.7Confident69.8Low2 Ų283.8 Ų83.81%0.0152%0.52CS..Hα-helixtrans-61.2-31.4177.5-63.2179.6000113.1F62 V81 V126 S129 L130 V140 N141 L142 Q149F62-L145 HydrophobicContact CD1-CD1 4.13Å; F62-L145 HydrophobicContact CE1-CD1 3.87Å; F62-L145 HydrophobicContact CZ-CD1 4.26Å; V81-L145 HydrophobicContact CG2-CD1 4.44Å; V126-L145 HydrophobicContact CG1-CD1 4.44Å; S129-L145 PolarHBondContact OG-O 3.29Å; L130-L145 HydrophobicContact CD2-CD1 4.38Å; L130-L145 HydrophobicContact CD2-CD2 3.77Å; L130-L145 HydrophobicContact CG-CD2 3.76Å; V140-L145 HydrophobicContact CG1-CD1 3.82Å; V140-L145 HydrophobicContact CG1-CD2 3.61Å; V140-L145 HydrophobicContact CG1-CG 3.74Å; N141-L145 PolarHBondContact O-N 3.32Å; L142-L145 HydrophobicContact CD2-CD1 4.31Å; L142-L145 WeakPolarHBondContact O-CB 3.45Å; L142-L145 PolarHBondContact O-N 3.43Å; L145-Q149 PolarHBondContact O-NE2 3.19Å
146V75.5Confident68.5Low27 Ų2782.4 Ų82.416%0.16452%0.52CS..Hα-helixtrans-92.8-32.1-177-172.90000112.5V81 Q90 I92 L142 Q144 G148 Q149V81-V146 HydrophobicContact CG1-CG2 4.1Å; Q90-V146 HydrophobicContact CB-CG2 3.72Å; Q90-V146 HydrophobicContact CG-CG2 4.48Å; I92-V146 HydrophobicContact CG2-CB 4.46Å; I92-V146 HydrophobicContact CG2-CG1 4.36Å; I92-V146 HydrophobicContact CG2-CG2 3.66Å; L142-V146 PolarHBondContact O-N 3.34Å; Q144-V146 PolarHBondContact O-N 2.95Å; V146-G148 PolarHBondContact O-N 3.35Å; V146-Q149 WeakPolarHBondContact O-CB 3.48Å; V146-Q149 PolarHBondContact O-N 3.32Å
147K66.9Low67Low161 Ų16181.5 Ų81.570%0.752%0.52SS*.Hα-helixtrans-60.3-28.6-179.3-85.2177.5-177.8179.90113.5S143 Q144 Q149S143-K147 VanDerWaalsContact O-CG 3.26Å; S143-K147 WeakPolarHBondContact O-CG 3.42Å; S143-K147 PolarHBondContact O-N 3.02Å; Q144-K147 PolarHBondContact O-N 2.93Å; K147-Q149 PolarHBondContact O-N 3.47Å; K147-Q149 VanDerWaalsContact O-N 3.15Å
148G58.4Low65.5Low61 Ų6177.3 Ų77.363%0.62950%0.503SS*.THydrogen-bonded Turntrans-63.9-11.5174.200000114.7V146V146-G148 PolarHBondContact O-N 3.35Å
149Q49.9Very low63.8Low44 Ų4477.9 Ų77.921%0.20651%0.509CS..THydrogen-bonded Turntrans-109.96.1-170.1-58.8-175.732.300114.6I92 L145 V146 K147 P151I92-Q149 PolarHBondContact O-OE1 3.25Å; L145-Q149 PolarHBondContact O-NE2 3.19Å; V146-Q149 WeakPolarHBondContact O-CB 3.48Å; V146-Q149 PolarHBondContact O-N 3.32Å; K147-Q149 PolarHBondContact O-N 3.47Å; K147-Q149 VanDerWaalsContact O-N 3.15Å; Q149-P151 WeakPolarHBondContact O-CD 2.95Å; Q149-P151 VanDerWaalsContact O-N 3.13Å
150S36.5Very low62.2Low95 Ų9575.3 Ų75.366%0.66449%0.492SS*.  trans-66.7113.9173.2-650000108.5A152S150-A152 PolarHBondContact O-N 2.72Å
151P39.6Very low60.4Low118 Ų11877.8 Ų77.877%0.76651%0.511SS*.  trans-60.8132.5172.923.5-26.2000107.2Q149 A153Q149-P151 WeakPolarHBondContact O-CD 2.95Å; Q149-P151 VanDerWaalsContact O-N 3.13Å; P151-A153 PolarHBondContact O-N 3.31Å; P151-A153 VanDerWaalsContact O-N 3.1Å
152A36Very low58.8Low102 Ų10278 Ų7884%0.84352%0.519SS*.  trans-49.5122.7168.200000107.8S150S150-A152 PolarHBondContact O-N 2.72Å
153A34.5Very low56.8Low173 Ų17384.7 Ų84.7100%1.4357%0.565SS**  trans-57.80176.700000111.9P151P151-A153 PolarHBondContact O-N 3.31Å; P151-A153 VanDerWaalsContact O-N 3.1Å

Retrieved 153 of 153 residues in 62.2 ms (Link to these results)

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