A0A096N2H4_PAPAN Loading...

WD and tetratricopeptide repeats protein 1

May function as a substrate receptor for CUL4-DDB1 E3 ubiquitin-protein ligase complex.

AlphaFold DB (Q8N5D0), UniProt , Accession A0A096N2H4, Species PAPAN (Papio anubis, Olive baboon), Gene WDTC1, Length 677 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
1M43.5Very low66.4Low199 Ų199102 Ų10298%0.9854%0.539SS*.  0134.60-66.8-177.8-163.800107.7K3M1-K3 PolarHBondContact O-N 3.24Å; M1-K3 VanDerWaalsContact O-N 3.13Å
2A49.5Very low66.9Low98 Ų98104.5 Ų104.581%0.8154%0.535SS*.  trans-61.8113.2147.500000104.8V4A2-V4 PolarHBondContact O-N 3.31Å
3K55.4Low67.2Low191 Ų191105.4 Ų105.483%0.8353%0.528SS*.  trans-52.1120.3177.7-79.5-178.3175.81800107M1 N5M1-K3 PolarHBondContact O-N 3.24Å; M1-K3 VanDerWaalsContact O-N 3.13Å; K3-N5 PolarHBondContact O-N 2.71Å
4V62.4Low67.6Low97 Ų97109.1 Ų109.159%0.58854%0.542SS*.  trans-58.9109.5170.9175.40000106A2 I6 Y27A2-V4 PolarHBondContact O-N 3.31Å; V4-I6 PolarHBondContact O-N 3.36Å; V4-Y27 WeakPolarHBondContact CG1-OH 3.48Å
5N75.2Confident67.9Low74 Ų74110.1 Ų110.140%0.39655%0.549SS..  trans-88.688.4179.7-175.1-28.4000107.4K3 T7 R8 D9K3-N5 PolarHBondContact O-N 2.71Å; N5-T7 PolarHBondContact O-N 3.08Å; N5-T7 WeakPolarHBondContact OD1-CB 3.13Å; N5-T7 PolarHBondContact OD1-N 2.97Å; N5-R8 HydrophobicContact CB-CB 3.92Å; N5-R8 WeakPolarHBondContact O-CB 3.43Å; N5-R8 PolarHBondContact O-N 2.81Å; N5-R8 VanDerWaalsContact O-N 3.14Å; N5-R8 PolarHBondContact OD1-N 2.82Å; N5-D9 PolarHBondContact O-N 3.15Å
6I74.2Confident68.1Low96 Ų96111.8 Ų111.849%0.49255%0.552SS.*Hα-helixtrans-58.3-36.2-177.9-165.9158.8000111.8V4 R8 D9 L10V4-I6 PolarHBondContact O-N 3.36Å; I6-R8 PolarHBondContact O-N 3.39Å; I6-D9 PolarHBondContact O-N 3.03Å; I6-L10 HydrophobicContact CG1-CD1 4.12Å; I6-L10 HydrophobicContact CG1-CG 4.3Å; I6-L10 WeakPolarHBondContact O-CB 3.39Å; I6-L10 VanDerWaalsContact O-CG 3.26Å; I6-L10 WeakPolarHBondContact O-CG 3.5Å; I6-L10 PolarHBondContact O-N 3.5Å
7T75.5Confident67.9Low87 Ų87115.5 Ų115.553%0.53457%0.567SS.*Hα-helixtrans-61.2-46.8176.3-46.40000111.3N5 D9 L10 I11N5-T7 PolarHBondContact O-N 3.08Å; N5-T7 WeakPolarHBondContact OD1-CB 3.13Å; N5-T7 PolarHBondContact OD1-N 2.97Å; T7-D9 VanDerWaalsContact C-N 3.32Å; T7-D9 PolarHBondContact O-N 3.39Å; T7-L10 PolarHBondContact O-N 2.98Å; T7-I11 HydrophobicContact CG2-CD1 4.02Å; T7-I11 WeakPolarHBondContact O-CB 3.31Å; T7-I11 WeakPolarHBondContact O-CD1 3.22Å; T7-I11 WeakPolarHBondContact O-CG1 3.5Å; T7-I11 PolarHBondContact O-N 3.13Å
8R78.3Confident67.8Low113 Ų113122 Ų12243%0.42659%0.585SS.*Hα-helixtrans-62.3-41.3175.8-176.1-170.568.6-174.2-2.2111.6N5 I6 R12N5-R8 HydrophobicContact CB-CB 3.92Å; N5-R8 WeakPolarHBondContact O-CB 3.43Å; N5-R8 PolarHBondContact O-N 2.81Å; N5-R8 VanDerWaalsContact O-N 3.14Å; N5-R8 PolarHBondContact OD1-N 2.82Å; I6-R8 PolarHBondContact O-N 3.39Å; R8-R12 WeakPolarHBondContact O-CB 3.39Å; R8-R12 WeakPolarHBondContact O-CG 3.38Å; R8-R12 PolarHBondContact O-N 2.77Å
9D72.4Confident67.8Low14 Ų14116.8 Ų116.88%0.07557%0.566CS.*Hα-helixtrans-68.5-40.7-178.9-73.80.9000111.2N5 I6 T7 R12 R13 F23 Y27N5-D9 PolarHBondContact O-N 3.15Å; I6-D9 PolarHBondContact O-N 3.03Å; T7-D9 VanDerWaalsContact C-N 3.32Å; T7-D9 PolarHBondContact O-N 3.39Å; D9-R12 PolarHBondContact O-N 2.98Å; D9-R13 WeakPolarHBondContact O-CB 3.32Å; D9-R13 PolarHBondContact O-N 2.83Å; D9-F23 HydrophobicContact CB-CD2 3.93Å; D9-F23 HydrophobicContact CB-CE2 4.05Å; D9-Y27 PolarHBondContact OD2-OH 2.91Å
10L73.2Confident68.1Low69 Ų69112 Ų11236%0.36155%0.547SS..Hα-helixtrans-63.3-44.6172.5-72.8169.7000112.4I6 T7 R12 R13 Q14 F23I6-L10 HydrophobicContact CG1-CD1 4.12Å; I6-L10 HydrophobicContact CG1-CG 4.3Å; I6-L10 WeakPolarHBondContact O-CB 3.39Å; I6-L10 VanDerWaalsContact O-CG 3.26Å; I6-L10 WeakPolarHBondContact O-CG 3.5Å; I6-L10 PolarHBondContact O-N 3.5Å; T7-L10 PolarHBondContact O-N 2.98Å; L10-R12 VanDerWaalsContact C-N 3.34Å; L10-R12 PolarHBondContact O-N 3.21Å; L10-R13 WeakPolarHBondContact O-CB 3.42Å; L10-R13 PolarHBondContact O-N 2.9Å; L10-Q14 PolarHBondContact O-N 2.93Å; L10-Q14 VanDerWaalsContact O-N 3.09Å; L10-F23 HydrophobicContact CD2-CE2 4.32Å; L10-F23 HydrophobicContact CD2-CZ 4.01Å
11I71.4Confident68.5Low84 Ų84111.1 Ų111.143%0.43154%0.544SS..Hα-helixtrans-61.1-44.6175.3-70.6166.7000110.2T7 R13 Q14 I15T7-I11 HydrophobicContact CG2-CD1 4.02Å; T7-I11 WeakPolarHBondContact O-CB 3.31Å; T7-I11 WeakPolarHBondContact O-CD1 3.22Å; T7-I11 WeakPolarHBondContact O-CG1 3.5Å; T7-I11 PolarHBondContact O-N 3.13Å; I11-R13 VanDerWaalsContact C-N 3.32Å; I11-R13 PolarHBondContact O-N 3.48Å; I11-Q14 PolarHBondContact O-N 3.46Å; I11-I15 HydrophobicContact CG2-CD1 3.61Å; I11-I15 VanDerWaalsContact O-CG1 3.31Å; I11-I15 WeakPolarHBondContact O-CG1 3.26Å; I11-I15 PolarHBondContact O-N 3.4Å
12R72Confident70.2Confident132 Ų132104.2 Ų104.250%0.49852%0.515SS..Hα-helixtrans-64.5-35.9176.7-77.1178.8177.5-171.7-1.3112.4R8 D9 L10 I15 K16R8-R12 WeakPolarHBondContact O-CB 3.39Å; R8-R12 WeakPolarHBondContact O-CG 3.38Å; R8-R12 PolarHBondContact O-N 2.77Å; D9-R12 PolarHBondContact O-N 2.98Å; L10-R12 VanDerWaalsContact C-N 3.34Å; L10-R12 PolarHBondContact O-N 3.21Å; R12-I15 PolarHBondContact O-N 3.18Å; R12-K16 PolarHBondContact O-N 3.09Å
13R70.3Confident71.8Confident116 Ų116101 Ų10144%0.43848%0.483SS..Hα-helixtrans-58.3-46.3173.5-171.1-170.894170.87.6111.4D9 L10 I11 I15 A20D9-R13 WeakPolarHBondContact O-CB 3.32Å; D9-R13 PolarHBondContact O-N 2.83Å; L10-R13 WeakPolarHBondContact O-CB 3.42Å; L10-R13 PolarHBondContact O-N 2.9Å; I11-R13 VanDerWaalsContact C-N 3.32Å; I11-R13 PolarHBondContact O-N 3.48Å; R13-I15 VanDerWaalsContact C-N 3.34Å; R13-I15 PolarHBondContact O-N 3.49Å; R13-A20 HydrophobicContact CG-CB 3.92Å
14Q73.3Confident73Confident157 Ų15797.2 Ų97.273%0.73447%0.468SS*.Hα-helixtrans-68.8-30.9-179-72.1176.7-16.400113.3L10 I11L10-Q14 PolarHBondContact O-N 2.93Å; L10-Q14 VanDerWaalsContact O-N 3.09Å; I11-Q14 PolarHBondContact O-N 3.46Å
15I72.8Confident74.1Confident125 Ų12598.7 Ų98.764%0.64146%0.463SS*.Hα-helixtrans-98.9-28-171-60.5171.5000112.8I11 R12 R13I11-I15 HydrophobicContact CG2-CD1 3.61Å; I11-I15 VanDerWaalsContact O-CG1 3.31Å; I11-I15 WeakPolarHBondContact O-CG1 3.26Å; I11-I15 PolarHBondContact O-N 3.4Å; R12-I15 PolarHBondContact O-N 3.18Å; R13-I15 VanDerWaalsContact C-N 3.34Å; R13-I15 PolarHBondContact O-N 3.49Å
16K70.3Confident74.6Confident136 Ų136101.1 Ų101.159%0.59147%0.467SS*.  trans-131.9114.9-171.8-61.1-172.6178.7-171.10111.1R12 R18 G19 A20R12-K16 PolarHBondContact O-N 3.09Å; K16-R18 VanDerWaalsContact C-N 3.34Å; K16-R18 PolarHBondContact O-N 3.33Å; K16-G19 VanDerWaalsContact O-CA 3.24Å; K16-G19 WeakPolarHBondContact O-CA 3.39Å; K16-G19 PolarHBondContact O-N 3.29Å; K16-A20 PolarHBondContact O-N 3Å
17E65.3Low75.2Confident175 Ų17599.2 Ų99.282%0.81845%0.454SS*.Hα-helixtrans-54-44.5177.9-169.3178.3-168.500113.1G19 A20 L21E17-G19 PolarHBondContact O-N 3.23Å; E17-A20 WeakPolarHBondContact O-CB 3.1Å; E17-A20 PolarHBondContact O-N 3.38Å; E17-L21 PolarHBondContact O-N 3.48Å
18R66.2Low76Confident233 Ų23395.8 Ų95.888%0.87943%0.432SS*.Hα-helixtrans-59.3-29.8172.3-74-171-177.2-172.11.3113.4K16 S22K16-R18 VanDerWaalsContact C-N 3.34Å; K16-R18 PolarHBondContact O-N 3.33Å; R18-S22 PolarHBondContact O-N 3.42Å
19G66.9Low76.7Confident23 Ų2390.5 Ų90.524%0.23741%0.412CS..Hα-helixtrans-71-31.1175.100000112.6K16 E17 F23K16-G19 VanDerWaalsContact O-CA 3.24Å; K16-G19 WeakPolarHBondContact O-CA 3.39Å; K16-G19 PolarHBondContact O-N 3.29Å; E17-G19 PolarHBondContact O-N 3.23Å; G19-F23 VanDerWaalsContact O-CB 3.26Å; G19-F23 WeakPolarHBondContact O-CB 3.24Å; G19-F23 PolarHBondContact O-N 3.46Å
20A74.7Confident77.8Confident21 Ų2191.4 Ų91.417%0.17442%0.418CS..Hα-helixtrans-67.9-50179.100000112.3R13 K16 E17 S22 F23 E24R13-A20 HydrophobicContact CG-CB 3.92Å; K16-A20 PolarHBondContact O-N 3Å; E17-A20 WeakPolarHBondContact O-CB 3.1Å; E17-A20 PolarHBondContact O-N 3.38Å; A20-S22 PolarHBondContact O-N 3.12Å; A20-F23 WeakPolarHBondContact O-CA 3.44Å; A20-F23 WeakPolarHBondContact O-CB 3.45Å; A20-F23 PolarHBondContact O-N 3.19Å; A20-E24 WeakPolarHBondContact O-CG 3.4Å; A20-E24 PolarHBondContact O-N 2.99Å
21L76.2Confident78.8Confident94 Ų9490.7 Ų90.749%0.49242%0.415SS..Hα-helixtrans-61-43.1177.5-68.9174.1000112.4E17 F23 E24 R25E17-L21 PolarHBondContact O-N 3.48Å; L21-F23 VanDerWaalsContact C-N 3.26Å; L21-F23 PolarHBondContact O-N 3.21Å; L21-E24 PolarHBondContact O-N 2.98Å; L21-R25 WeakPolarHBondContact O-CB 3.5Å; L21-R25 VanDerWaalsContact O-CG 3.27Å; L21-R25 WeakPolarHBondContact O-CG 3.3Å; L21-R25 PolarHBondContact O-N 3.18Å
22S79.7Confident79.8Confident54 Ų5490.2 Ų90.238%0.37842%0.417SS..Hα-helixtrans-64.4-32.5176.1176.70000112.5R18 A20 R26R18-S22 PolarHBondContact O-N 3.42Å; A20-S22 PolarHBondContact O-N 3.12Å; S22-R26 VanDerWaalsContact O-CB 3.3Å; S22-R26 WeakPolarHBondContact O-CB 3.47Å; S22-R26 PolarHBondContact O-N 2.71Å
23F81.5Confident80.9Confident31 Ų3187.2 Ų87.214%0.13641%0.408CS..Hα-helixtrans-69.1-54.6176178-85.9000110D9 L10 G19 A20 L21 R25 R26 Y27D9-F23 HydrophobicContact CB-CD2 3.93Å; D9-F23 HydrophobicContact CB-CE2 4.05Å; L10-F23 HydrophobicContact CD2-CE2 4.32Å; L10-F23 HydrophobicContact CD2-CZ 4.01Å; G19-F23 VanDerWaalsContact O-CB 3.26Å; G19-F23 WeakPolarHBondContact O-CB 3.24Å; G19-F23 PolarHBondContact O-N 3.46Å; A20-F23 WeakPolarHBondContact O-CA 3.44Å; A20-F23 WeakPolarHBondContact O-CB 3.45Å; A20-F23 PolarHBondContact O-N 3.19Å; L21-F23 VanDerWaalsContact C-N 3.26Å; L21-F23 PolarHBondContact O-N 3.21Å; F23-R25 PolarHBondContact O-N 2.81Å; F23-R26 PolarHBondContact O-N 2.79Å; F23-R26 VanDerWaalsContact O-N 3.09Å; F23-Y27 HydrophobicContact CD1-CD2 4.02Å; F23-Y27 AromaticContact CD2-CD2 3.55Å; F23-Y27 HydrophobicContact CD2-CD2 3.55Å; F23-Y27 AromaticContact CD2-CE2 3.42Å; F23-Y27 HydrophobicContact CD2-CE2 3.42Å; F23-Y27 VanDerWaalsContact CD2-CE2 3.42Å; F23-Y27 AromaticContact CE1-CD2 3.91Å; F23-Y27 HydrophobicContact CE1-CD2 3.91Å; F23-Y27 AromaticContact CE2-CD2 3.44Å; F23-Y27 HydrophobicContact CE2-CD2 3.44Å; F23-Y27 VanDerWaalsContact CE2-CD2 3.44Å; F23-Y27 AromaticContact CE2-CE2 3.27Å; F23-Y27 HydrophobicContact CE2-CE2 3.27Å; F23-Y27 HydrophobicContact CE2-CG 4.48Å; F23-Y27 AromaticContact CG-CD2 3.84Å; F23-Y27 HydrophobicContact CG-CD2 3.84Å; F23-Y27 HydrophobicContact CG-CE2 4.15Å; F23-Y27 AromaticContact CZ-CD2 3.62Å; F23-Y27 HydrophobicContact CZ-CD2 3.62Å; F23-Y27 AromaticContact CZ-CE2 3.91Å; F23-Y27 HydrophobicContact CZ-CE2 3.91Å; F23-Y27 HydrophobicContact CZ-CG 4.32Å; F23-Y27 VanDerWaalsContact O-CD2 3.23Å; F23-Y27 WeakPolarHBondContact O-CD2 3.41Å; F23-Y27 PolarHBondContact O-N 3.19Å
24E82Confident82.1Confident111 Ų11181.8 Ų81.852%0.51939%0.387SS..Hα-helixtrans-53.9-51.5179.2-73.5169.9-177.300111.3A20 L21 R26 Y27 H28A20-E24 WeakPolarHBondContact O-CG 3.4Å; A20-E24 PolarHBondContact O-N 2.99Å; L21-E24 PolarHBondContact O-N 2.98Å; E24-R26 VanDerWaalsContact C-N 3.26Å; E24-R26 PolarHBondContact O-N 2.94Å; E24-Y27 CarbonylContact O-C 3.57Å; E24-Y27 PolarHBondContact O-N 2.8Å; E24-H28 WeakPolarHBondContact O-CA 3.33Å; E24-H28 WeakPolarHBondContact O-CB 3.39Å; E24-H28 PolarHBondContact O-N 2.83Å
25R85.8Confident83.1Confident127 Ų12782 Ų8248%0.47938%0.382SS..Hα-helixtrans-60.9-35.1179.9-65.1179.8179.1-178.3-1.6113.3L21 F23 N549 Q551L21-R25 WeakPolarHBondContact O-CB 3.5Å; L21-R25 VanDerWaalsContact O-CG 3.27Å; L21-R25 WeakPolarHBondContact O-CG 3.3Å; L21-R25 PolarHBondContact O-N 3.18Å; F23-R25 PolarHBondContact O-N 2.81Å; R25-N549 VanDerWaalsContact CB-OD1 3.31Å; R25-N549 WeakPolarHBondContact CB-OD1 3.48Å; R25-N549 PolarHBondContact O-ND2 3.29Å; R25-Q551 PolarHBondContact O-NE2 3.22Å
26R85.7Confident84.2Confident125 Ų12578.9 Ų78.947%0.47236%0.362SS..Hα-helixtrans-72.1-37.5178.9-178.3176.3-66.2158.64112.3S22 F23 E24 N549 Q551S22-R26 VanDerWaalsContact O-CB 3.3Å; S22-R26 WeakPolarHBondContact O-CB 3.47Å; S22-R26 PolarHBondContact O-N 2.71Å; F23-R26 PolarHBondContact O-N 2.79Å; F23-R26 VanDerWaalsContact O-N 3.09Å; E24-R26 VanDerWaalsContact C-N 3.26Å; E24-R26 PolarHBondContact O-N 2.94Å; R26-N549 PolarHBondContact N-ND2 2.93Å; R26-Q551 PolarHBondContact O-NE2 3.43Å
27Y86.5Confident85.4Confident56 Ų5672.4 Ų72.422%0.2233%0.333CS..Hα-helixtrans-102.62.3-175.8-65.3-74.9000114.1V4 D9 F23 E24 T30V4-Y27 WeakPolarHBondContact CG1-OH 3.48Å; D9-Y27 PolarHBondContact OD2-OH 2.91Å; F23-Y27 HydrophobicContact CD1-CD2 4.02Å; F23-Y27 AromaticContact CD2-CD2 3.55Å; F23-Y27 HydrophobicContact CD2-CD2 3.55Å; F23-Y27 AromaticContact CD2-CE2 3.42Å; F23-Y27 HydrophobicContact CD2-CE2 3.42Å; F23-Y27 VanDerWaalsContact CD2-CE2 3.42Å; F23-Y27 AromaticContact CE1-CD2 3.91Å; F23-Y27 HydrophobicContact CE1-CD2 3.91Å; F23-Y27 AromaticContact CE2-CD2 3.44Å; F23-Y27 HydrophobicContact CE2-CD2 3.44Å; F23-Y27 VanDerWaalsContact CE2-CD2 3.44Å; F23-Y27 AromaticContact CE2-CE2 3.27Å; F23-Y27 HydrophobicContact CE2-CE2 3.27Å; F23-Y27 HydrophobicContact CE2-CG 4.48Å; F23-Y27 AromaticContact CG-CD2 3.84Å; F23-Y27 HydrophobicContact CG-CD2 3.84Å; F23-Y27 HydrophobicContact CG-CE2 4.15Å; F23-Y27 AromaticContact CZ-CD2 3.62Å; F23-Y27 HydrophobicContact CZ-CD2 3.62Å; F23-Y27 AromaticContact CZ-CE2 3.91Å; F23-Y27 HydrophobicContact CZ-CE2 3.91Å; F23-Y27 HydrophobicContact CZ-CG 4.32Å; F23-Y27 VanDerWaalsContact O-CD2 3.23Å; F23-Y27 WeakPolarHBondContact O-CD2 3.41Å; F23-Y27 PolarHBondContact O-N 3.19Å; E24-Y27 CarbonylContact O-C 3.57Å; E24-Y27 PolarHBondContact O-N 2.8Å; Y27-T30 HydrophobicContact CD1-CG2 4.28Å
28H91.1Very high86.9Confident16 Ų1664.4 Ų64.47%0.07430%0.297CS..SBendtrans-53.3-57177.2178.5-176.1000110.7E24 S548 P590 Y592 C593E24-H28 WeakPolarHBondContact O-CA 3.33Å; E24-H28 WeakPolarHBondContact O-CB 3.39Å; E24-H28 PolarHBondContact O-N 2.83Å; H28-S548 PolarHBondContact ND1-N 3.42Å; H28-S548 VanDerWaalsContact ND1-N 3.11Å; H28-S548 PolarHBondContact ND1-OG 3.22Å; H28-P590 PolarHBondContact CE1-O 3.12Å; H28-Y592 WeakPolarHBondContact NE2-CA 3.45Å; H28-Y592 PolarHBondContact NE2-N 3.46Å; H28-Y592 PolarHBondContact NE2-O 3.47Å; H28-C593 WeakPolarHBondContact O-CB 3.35Å
29V94.5Very high88.3Confident2 Ų255.4 Ų55.41%0.01227%0.267CS..SBendtrans-125.5128.7175.9-175.70000108.9I34 F546 G547 Q551 Y552 C593V29-I34 HydrophobicContact CG1-CD1 3.49Å; V29-I34 VanDerWaalsContact CG1-CD1 3.49Å; V29-I34 HydrophobicContact CG1-CG1 3.85Å; V29-F546 HydrophobicContact CG1-CD1 4.17Å; V29-F546 HydrophobicContact CG1-CE1 4.24Å; V29-F546 HydrophobicContact CG1-CG 4.32Å; V29-F546 HydrophobicContact CG1-CZ 4.47Å; V29-F546 HydrophobicContact CG2-CD2 3.66Å; V29-F546 HydrophobicContact CG2-CE2 3.68Å; V29-F546 HydrophobicContact CG2-CG 4.22Å; V29-F546 HydrophobicContact CG2-CZ 4.23Å; V29-G547 VanDerWaalsContact CG2-CA 3.49Å; V29-Q551 PolarHBondContact O-NE2 3.01Å; V29-Y552 HydrophobicContact CB-CD2 4.21Å; V29-Y552 HydrophobicContact CB-CE2 4.47Å; V29-Y552 HydrophobicContact CG1-CD2 3.5Å; V29-Y552 HydrophobicContact CG1-CE2 3.79Å; V29-Y552 HydrophobicContact CG1-CG 4.49Å; V29-C593 HydrophobicContact CG2-CB 4.19Å
30T94.2Very high89.6Confident32 Ų3256.7 Ų56.720%0.19627%0.267CS..  trans-135.6159.7-175.166.40000111Y27 F33 I34Y27-T30 HydrophobicContact CD1-CG2 4.28Å; T30-F33 WeakPolarHBondContact O-CA 3.17Å; T30-F33 WeakPolarHBondContact O-CB 3.14Å; T30-F33 PolarHBondContact O-N 2.98Å; T30-F33 WeakPolarHBondContact OG1-CD2 3.35Å; T30-I34 PolarHBondContact O-N 3.16Å
31D94Very high90.7Very high55 Ų5556.4 Ų56.429%0.29426%0.264SS..Hα-helixtrans-55.4-44.6-179.6175.365.3000113.3F33 I34 R35 Y552D31-F33 VanDerWaalsContact C-N 3.26Å; D31-F33 PolarHBondContact O-N 3.01Å; D31-I34 PolarHBondContact O-N 2.82Å; D31-R35 WeakPolarHBondContact O-CG 3.49Å; D31-R35 PolarHBondContact O-N 2.83Å; D31-R35 IonicContact OD1-CZ 2.73Å; D31-R35 IonicContact OD1-NE 2.64Å; D31-R35 PolarHBondContact OD1-NE 2.9Å; D31-R35 IonicContact OD1-NH2 3.4Å; D31-R35 IonicContact OD2-CZ 3.56Å; D31-R35 IonicContact OD2-NE 3.51Å; D31-R35 PolarHBondContact OD2-NE 3.46Å; D31-R35 IonicContact OD2-NH2 3.61Å; D31-R35 PolarHBondContact OD2-NH2 2.86Å; D31-Y552 VanDerWaalsContact CA-OH 3.26Å; D31-Y552 WeakPolarHBondContact CA-OH 3.32Å; D31-Y552 WeakPolarHBondContact CB-OH 3.46Å; D31-Y552 PolarHBondContact N-OH 2.68Å
32P93.8Very high91.7Very high73 Ų7355.1 Ų55.147%0.47426%0.256SS..Hα-helixtrans-61.7-28173.6-25.635.8000115R36P32-R36 WeakPolarHBondContact O-CG 3.28Å; P32-R36 PolarHBondContact O-NE 2.79Å
33F94.5Very high92.6Very high70 Ų7052.8 Ų52.831%0.30724%0.239SC..Hα-helixtrans-75.1-45.5172.8-69.9-17.7000111T30 D31 R35 R36 L37 C593 P609T30-F33 WeakPolarHBondContact O-CA 3.17Å; T30-F33 WeakPolarHBondContact O-CB 3.14Å; T30-F33 PolarHBondContact O-N 2.98Å; T30-F33 WeakPolarHBondContact OG1-CD2 3.35Å; D31-F33 VanDerWaalsContact C-N 3.26Å; D31-F33 PolarHBondContact O-N 3.01Å; F33-R35 VanDerWaalsContact C-N 3.29Å; F33-R35 PolarHBondContact O-N 3.37Å; F33-R36 CarbonylContact O-C 3.58Å; F33-R36 PolarHBondContact O-N 2.93Å; F33-L37 PolarHBondContact O-N 3.05Å; F33-C593 HydrophobicContact CB-CB 4.37Å; F33-C593 HydrophobicContact CD2-CB 3.84Å; F33-C593 HydrophobicContact CG-CB 4.39Å; F33-P609 HydrophobicContact CB-CB 4.25Å; F33-P609 HydrophobicContact CB-CG 3.64Å; F33-P609 HydrophobicContact CD1-CB 4.1Å; F33-P609 HydrophobicContact CD1-CG 4.09Å; F33-P609 HydrophobicContact CG-CB 4.39Å; F33-P609 HydrophobicContact CG-CG 3.91Å
34I96Very high93.4Very high1 Ų158.1 Ų58.11%0.00526%0.264CS..Hα-helixtrans-59.2-40.9176.7-66-56.2000111.4V29 T30 D31 R36 L37 F546 Y552 I564 V573 R574V29-I34 HydrophobicContact CG1-CD1 3.49Å; V29-I34 VanDerWaalsContact CG1-CD1 3.49Å; V29-I34 HydrophobicContact CG1-CG1 3.85Å; T30-I34 PolarHBondContact O-N 3.16Å; D31-I34 PolarHBondContact O-N 2.82Å; I34-R36 PolarHBondContact O-N 3.43Å; I34-L37 WeakPolarHBondContact O-CB 3.5Å; I34-L37 PolarHBondContact O-N 2.9Å; I34-F546 HydrophobicContact CD1-CD1 3.76Å; I34-F546 HydrophobicContact CD1-CE1 3.59Å; I34-Y552 HydrophobicContact CD1-CD2 4.36Å; I34-Y552 HydrophobicContact CD1-CG 4.42Å; I34-Y552 HydrophobicContact CG1-CD1 4.17Å; I34-Y552 HydrophobicContact CG1-CD2 4.05Å; I34-Y552 HydrophobicContact CG1-CE1 3.98Å; I34-Y552 HydrophobicContact CG1-CE2 3.86Å; I34-Y552 HydrophobicContact CG1-CG 4.21Å; I34-I564 HydrophobicContact CD1-CD1 4.5Å; I34-I564 HydrophobicContact CD1-CG2 4.26Å; I34-I564 HydrophobicContact CG2-CD1 4.39Å; I34-I564 HydrophobicContact CG2-CG2 4.17Å; I34-V573 HydrophobicContact CG2-CG2 3.92Å; I34-R574 HydrophobicContact CG2-CB 4.2Å; I34-R574 WeakPolarHBondContact O-CD 3.28Å; I34-R574 PolarHBondContact O-NH1 2.99Å
35R93.9Very high94.1Very high163 Ų16354.3 Ų54.362%0.61526%0.255SS*.THydrogen-bonded Turntrans-67.3-17.7177-70.8-176.4-163.4-172.45.9114.9D31 F33 R574D31-R35 WeakPolarHBondContact O-CG 3.49Å; D31-R35 PolarHBondContact O-N 2.83Å; D31-R35 IonicContact OD1-CZ 2.73Å; D31-R35 IonicContact OD1-NE 2.64Å; D31-R35 PolarHBondContact OD1-NE 2.9Å; D31-R35 IonicContact OD1-NH2 3.4Å; D31-R35 IonicContact OD2-CZ 3.56Å; D31-R35 IonicContact OD2-NE 3.51Å; D31-R35 PolarHBondContact OD2-NE 3.46Å; D31-R35 IonicContact OD2-NH2 3.61Å; D31-R35 PolarHBondContact OD2-NH2 2.86Å; F33-R35 VanDerWaalsContact C-N 3.29Å; F33-R35 PolarHBondContact O-N 3.37Å; R35-R574 VanDerWaalsContact C-CZ 3.44Å; R35-R574 PolarHBondContact O-NH1 2.91Å; R35-R574 PolarHBondContact O-NH2 3.07Å; R35-R574 VanDerWaalsContact O-NH2 3.13Å
36R94.7Very high94.7Very high59 Ų5949 Ų4922%0.22324%0.235CC..THydrogen-bonded Turntrans-112.3-2.8178.3-64.1-174.6-59142.2-10.8113.7P32 F33 I34 G38 P609 R610 L616P32-R36 WeakPolarHBondContact O-CG 3.28Å; P32-R36 PolarHBondContact O-NE 2.79Å; F33-R36 CarbonylContact O-C 3.58Å; F33-R36 PolarHBondContact O-N 2.93Å; I34-R36 PolarHBondContact O-N 3.43Å; R36-G38 PolarHBondContact O-N 2.76Å; R36-G38 VanDerWaalsContact O-N 3.16Å; R36-P609 HydrophobicContact CB-CB 4.37Å; R36-P609 WeakPolarHBondContact O-CA 3.41Å; R36-R610 PolarHBondContact NH1-O 3.34Å; R36-R610 PolarHBondContact O-N 3.02Å; R36-L616 HydrophobicContact CB-CD1 4.32Å; R36-L616 WeakPolarHBondContact O-CD1 3.27Å
37L96.1Very high95.3Very high0 Ų048 Ų480%025%0.248CC..EExtended strand (participates in β ladder)trans-52.5121.7174-168.470.9000109.7F33 I34 F546 F562 I564 R574 L576 W607 N608F33-L37 PolarHBondContact O-N 3.05Å; I34-L37 WeakPolarHBondContact O-CB 3.5Å; I34-L37 PolarHBondContact O-N 2.9Å; L37-F546 HydrophobicContact CD2-CE1 4.12Å; L37-F562 HydrophobicContact CD2-CE2 4.33Å; L37-I564 HydrophobicContact CD2-CD1 3.66Å; L37-R574 PolarHBondContact O-NH1 2.88Å; L37-L576 HydrophobicContact CB-CD1 4.24Å; L37-L576 HydrophobicContact CD2-CD1 3.91Å; L37-L576 HydrophobicContact CG-CD1 4.08Å; L37-W607 HydrophobicContact CD1-CB 4.01Å; L37-W607 HydrophobicContact CG-CB 4.23Å; L37-N608 WeakPolarHBondContact CA-O 3.31Å
38G96.3Very high95.9Very high6 Ų646.1 Ų46.16%0.06225%0.245CC..EExtended strand (participates in β ladder)trans-148.5170.4-179.300000110R36 E40 W607 N608R36-G38 PolarHBondContact O-N 2.76Å; R36-G38 VanDerWaalsContact O-N 3.16Å; G38-E40 PolarHBondContact O-N 3.17Å; G38-W607 VanDerWaalsContact O-CA 3.3Å; G38-W607 WeakPolarHBondContact O-CA 3.48Å; G38-N608 PolarHBondContact N-O 2.9Å; G38-N608 PolarHBondContact O-N 2.75Å
39L96.2Very high96.1Very high44 Ų4445.8 Ų45.823%0.2324%0.244CC..EExtended strand (participates in β ladder)trans-65.7126.3178.9-177.370.2000109.4E42 R605 W607 R619L39-E42 HydrophobicContact CD1-CG 4.28Å; L39-E42 HydrophobicContact CD2-CG 3.94Å; L39-R605 HydrophobicContact CD1-CB 3.84Å; L39-R605 HydrophobicContact CD1-CG 4.2Å; L39-W607 HydrophobicContact CB-CE3 4.21Å; L39-W607 HydrophobicContact CB-CH2 4.26Å; L39-W607 HydrophobicContact CB-CZ3 3.93Å; L39-W607 HydrophobicContact CD1-CD2 4.46Å; L39-W607 HydrophobicContact CD1-CH2 4.23Å; L39-W607 HydrophobicContact CD1-CZ2 4.05Å; L39-R619 VanDerWaalsContact CD2-NE 3.33Å
40E95.2Very high96.3Very high51 Ų5145.7 Ų45.724%0.23824%0.244CC..EExtended strand (participates in β ladder)trans-93.2-49.4172.7-178.4179.8152.600111.2G38 H79 F594 L606 N608G38-E40 PolarHBondContact O-N 3.17Å; E40-H79 IonicContact OE1-CD2 2.67Å; E40-H79 IonicContact OE1-CE1 2.75Å; E40-H79 PolarHBondContact OE1-CE1 2.78Å; E40-H79 IonicContact OE1-NE2 3.54Å; E40-H79 PolarHBondContact OE1-NE2 2.93Å; E40-F594 WeakPolarHBondContact OE2-CE2 3.47Å; E40-L606 HydrophobicContact CB-CB 4.46Å; E40-L606 WeakPolarHBondContact CB-O 3.14Å; E40-L606 PolarHBondContact N-O 3.49Å; E40-N608 VanDerWaalsContact OE2-CB 3.28Å; E40-N608 WeakPolarHBondContact OE2-CB 3.11Å; E40-N608 PolarHBondContact OE2-ND2 2.77Å
41A96.8Very high96.5Very high14 Ų1444.6 Ų44.612%0.11624%0.237CC..EExtended strand (participates in β ladder)trans-157.1153.2-17400000111.6L606A41-L606 HydrophobicContact CB-CB 4.49Å; A41-L606 HydrophobicContact CB-CD1 4.38Å; A41-L606 PolarHBondContact N-O 2.76Å; A41-L606 PolarHBondContact O-N 3.19Å
42E97.6Very high96.7Very high68 Ų6842.1 Ų42.132%0.31822%0.224SC..EExtended strand (participates in β ladder)trans-111.1116165.7-57.1-168.614700108.5L39 Q44 R605 R619L39-E42 HydrophobicContact CD1-CG 4.28Å; L39-E42 HydrophobicContact CD2-CG 3.94Å; E42-Q44 PolarHBondContact O-N 2.78Å; E42-R605 HydrophobicContact CG-CG 4.2Å; E42-R605 IonicContact OE1-CZ 2.68Å; E42-R605 IonicContact OE1-NE 2.77Å; E42-R605 PolarHBondContact OE1-NE 3.49Å; E42-R605 IonicContact OE1-NH2 2.65Å; E42-R605 PolarHBondContact OE1-NH2 2.77Å; E42-R619 IonicContact OE1-CZ 3.22Å; E42-R619 IonicContact OE1-NH2 3.46Å; E42-R619 PolarHBondContact OE1-NH2 3.24Å
43L98.5Very high97Very high5 Ų538.8 Ų38.83%0.02620%0.202CC..EExtended strand (participates in β ladder)trans-84.7112177.2-51.5-177.4000109.1W74 H79 V604 L606L43-W74 HydrophobicContact CB-CD2 4.21Å; L43-W74 HydrophobicContact CB-CE3 3.84Å; L43-W74 HydrophobicContact CB-CH2 4Å; L43-W74 HydrophobicContact CB-CZ2 4.36Å; L43-W74 HydrophobicContact CB-CZ3 3.73Å; L43-W74 HydrophobicContact CD1-CB 3.94Å; L43-W74 HydrophobicContact CD1-CD2 3.73Å; L43-W74 HydrophobicContact CD1-CE3 3.87Å; L43-W74 HydrophobicContact CD1-CG 3.77Å; L43-W74 HydrophobicContact CG-CE3 4.36Å; L43-H79 HydrophobicContact CD2-CB 3.85Å; L43-V604 HydrophobicContact CB-CB 4.18Å; L43-V604 HydrophobicContact CD1-CB 4.39Å; L43-V604 HydrophobicContact CD1-CG1 4.43Å; L43-V604 PolarHBondContact N-O 2.89Å; L43-V604 PolarHBondContact O-N 2.81Å; L43-L606 HydrophobicContact CD1-CD1 3.94Å; L43-L606 HydrophobicContact CD1-CD2 4.36Å; L43-L606 HydrophobicContact CD1-CG 4.2Å; L43-L606 HydrophobicContact CD2-CD1 3.87Å; L43-L606 HydrophobicContact CG-CD1 3.97Å; L43-L606 HydrophobicContact CG-CG 4.19Å
44Q98Very high97.1Very high142 Ų14236.8 Ų36.866%0.66419%0.193SC*.EExtended strand (participates in β ladder)trans-95.6136.8178.9-62.6-176.5-1.500111.1E42 W74 V603E42-Q44 PolarHBondContact O-N 2.78Å; Q44-W74 WeakPolarHBondContact O-CH2 3.02Å; Q44-V603 HydrophobicContact CG-CG1 4.14Å
45G97.6Very high97.2Very high32 Ų3237.5 Ų37.533%0.3320%0.196SC..  trans170.5-24175.700000115.3
46H98.4Very high97.4Very high15 Ų1529.9 Ų29.97%0.06917%0.168CC..  trans-82.4157.2171.2-77.8-62.9000111.4V50 S64 S66 D68 H70H46-V50 HydrophobicContact CB-CG2 3.89Å; H46-S64 PolarHBondContact CD2-OG 3.14Å; H46-S64 PolarHBondContact NE2-OG 3.43Å; H46-S66 VanDerWaalsContact CE1-CB 3.46Å; H46-S66 WeakPolarHBondContact CE1-CB 3.37Å; H46-S66 WeakPolarHBondContact ND1-CB 3.09Å; H46-D68 WeakPolarHBondContact CA-OD2 3.31Å; H46-D68 WeakPolarHBondContact CB-OD2 3.48Å; H46-D68 IonicContact CE1-OD1 2.98Å; H46-D68 IonicContact CE1-OD2 3.35Å; H46-D68 IonicContact CG-OD2 2.71Å; H46-D68 VanDerWaalsContact ND1-CG 3.34Å; H46-D68 IonicContact ND1-OD1 2.68Å; H46-D68 PolarHBondContact ND1-OD1 3.47Å; H46-D68 IonicContact ND1-OD2 2.92Å; H46-D68 PolarHBondContact ND1-OD2 2.97Å; H46-H70 PolarHBondContact CE1-O 3.04Å
47S98Very high97.3Very high105 Ų10532.2 Ų32.273%0.73418%0.181SC*.SBendtrans-116.211.5175.767.20000113.6D68S47-D68 PolarHBondContact N-OD2 3.1Å; S47-D68 WeakPolarHBondContact OG-CB 3.43Å
48G97.6Very high97.2Very high16 Ų1638.6 Ų38.617%0.16521%0.209CC..SBendtrans-152.3175.7175.100000111V50 S66 P602G48-V50 PolarHBondContact O-N 2.79Å; G48-S66 PolarHBondContact O-OG 3.06Å; G48-P602 WeakPolarHBondContact O-CA 3.4Å; G48-P602 WeakPolarHBondContact O-CB 3.19Å
49C97Very high97.1Very high8 Ų838.5 Ų38.55%0.05421%0.208CC..  trans-48.7140.1-178.5-43.90000111.3S66 D67 G599 I600C49-S66 CarbonylContact O-C 3.53Å; C49-S66 WeakPolarHBondContact O-CA 3.35Å; C49-S66 VanDerWaalsContact O-CB 3.3Å; C49-S66 WeakPolarHBondContact O-CB 3.45Å; C49-S66 PolarHBondContact O-OG 3.39Å; C49-D67 WeakPolarHBondContact CB-OD2 3.37Å; C49-D67 PolarHBondContact O-N 2.97Å; C49-D67 PolarHBondContact SG-OD2 3.35Å; C49-G599 WeakPolarHBondContact CB-O 3.5Å; C49-I600 PolarHBondContact SG-O 3.23Å
50V98.4Very high97.1Very high0 Ų040.5 Ų40.50%022%0.219CC..EExtended strand (participates in β ladder)trans-103.399.3177.9-1760000108.7H46 G48 L53 S598 G599 V604H46-V50 HydrophobicContact CB-CG2 3.89Å; G48-V50 PolarHBondContact O-N 2.79Å; V50-L53 HydrophobicContact CG1-CD2 3.99Å; V50-S598 WeakPolarHBondContact O-CB 3.3Å; V50-S598 PolarHBondContact O-OG 2.84Å; V50-G599 PolarHBondContact N-O 3Å; V50-G599 VanDerWaalsContact N-O 3.15Å; V50-V604 HydrophobicContact CG1-CG2 3.98Å; V50-V604 HydrophobicContact CG2-CG2 4.47Å
51N98.1Very high97.3Very high10 Ų1039.8 Ų39.85%0.05322%0.216CC..EExtended strand (participates in β ladder)trans-92.3-7.4-168.5-56.9-53.7000114.9G65 D67 I93 F94 I540 C585N51-G65 PolarHBondContact N-O 2.83Å; N51-G65 VanDerWaalsContact N-O 3.11Å; N51-D67 PolarHBondContact ND2-OD1 2.91Å; N51-I93 WeakPolarHBondContact CB-O 3.28Å; N51-I93 PolarHBondContact ND2-O 3.16Å; N51-F94 HydrophobicContact CB-CD1 4.25Å; N51-I540 HydrophobicContact CB-CD1 3.69Å; N51-C585 PolarHBondContact O-SG 2.94Å
52C98.3Very high97.4Very high2 Ų239.1 Ų39.11%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-153.5143.2178.357.60000111.5S64 G65 F94 S95 V96 C585C52-S64 WeakPolarHBondContact O-CA 3.34Å; C52-G65 PolarHBondContact N-O 2.87Å; C52-G65 PolarHBondContact O-N 3.29Å; C52-F94 WeakPolarHBondContact CB-O 3.16Å; C52-S95 VanDerWaalsContact SG-C 3.51Å; C52-V96 HydrophobicContact CB-CG1 4.17Å; C52-V96 PolarHBondContact SG-N 2.83Å; C52-C585 VanDerWaalsContact CA-SG 3.57Å
53L98.7Very high97.4Very high3 Ų335.9 Ų35.92%0.01620%0.196CC..EExtended strand (participates in β ladder)trans-133.2148.2177.3-64.1175.8000108.4V50 L62 A63 C585 Q587 A596 S598 V604V50-L53 HydrophobicContact CG1-CD2 3.99Å; L53-L62 HydrophobicContact CB-CD1 4.34Å; L53-A63 CarbonylContact C-O 3.59Å; L53-A63 VanDerWaalsContact CA-O 3.28Å; L53-A63 WeakPolarHBondContact CA-O 3.42Å; L53-C585 HydrophobicContact CD1-CB 4.18Å; L53-C585 HydrophobicContact CG-CB 4.24Å; L53-Q587 HydrophobicContact CB-CB 4.28Å; L53-Q587 HydrophobicContact CB-CG 3.66Å; L53-Q587 WeakPolarHBondContact O-CG 3.43Å; L53-A596 HydrophobicContact CD1-CB 4.02Å; L53-S598 WeakPolarHBondContact CD1-OG 3.33Å; L53-V604 HydrophobicContact CD1-CG1 4.03Å; L53-V604 HydrophobicContact CD2-CB 4.44Å; L53-V604 HydrophobicContact CD2-CG1 3.84Å; L53-V604 HydrophobicContact CD2-CG2 3.72Å
54E98.4Very high97.4Very high28 Ų2835.6 Ų35.613%0.13119%0.194CC..EExtended strand (participates in β ladder)trans-150127.8173.7-176.272.8164.100111.3A63 V96 K97 F98E54-A63 PolarHBondContact N-O 2.93Å; E54-A63 PolarHBondContact O-N 3.45Å; E54-V96 HydrophobicContact CB-CG1 4.07Å; E54-V96 WeakPolarHBondContact CB-O 3.28Å; E54-K97 HydrophobicContact CG-CD 4Å; E54-K97 WeakPolarHBondContact OE1-CD 3.12Å; E54-K97 IonicContact OE1-NZ 2.88Å; E54-K97 PolarHBondContact OE1-NZ 2.88Å; E54-K97 IonicContact OE2-NZ 3.67Å; E54-K97 PolarHBondContact OE2-NZ 3.36Å; E54-F98 HydrophobicContact CG-CD2 4.1Å
55W98.2Very high97.5Very high17 Ų1728.9 Ų28.96%0.06416%0.163CC..EExtended strand (participates in β ladder)trans-76.2140.7166.7-66.1103.8000110.4G59 L62 P76 Q587 H589 F594 A596W55-G59 WeakPolarHBondContact CZ3-O 3.38Å; W55-L62 HydrophobicContact CD2-CD1 3.86Å; W55-L62 HydrophobicContact CE3-CB 4.13Å; W55-L62 HydrophobicContact CE3-CD1 4.2Å; W55-L62 HydrophobicContact CG-CD1 4.28Å; W55-L62 HydrophobicContact CH2-CB 4.22Å; W55-L62 HydrophobicContact CH2-CD1 4.37Å; W55-L62 HydrophobicContact CH2-CD2 4.33Å; W55-L62 HydrophobicContact CZ2-CD1 4.07Å; W55-L62 HydrophobicContact CZ2-CD2 4.39Å; W55-L62 HydrophobicContact CZ3-CB 3.97Å; W55-L62 HydrophobicContact CZ3-CD1 4.48Å; W55-P76 HydrophobicContact CE3-CG 4.5Å; W55-P76 HydrophobicContact CH2-CB 3.87Å; W55-P76 HydrophobicContact CH2-CG 3.68Å; W55-P76 HydrophobicContact CZ3-CB 4.07Å; W55-P76 HydrophobicContact CZ3-CG 3.33Å; W55-Q587 PolarHBondContact NE1-O 2.94Å; W55-H589 AromaticContact CE3-CD2 3.84Å; W55-H589 HydrophobicContact CZ2-CB 4.44Å; W55-H589 AromaticContact CZ3-CD2 3.71Å; W55-F594 AromaticContact CH2-CD1 3.77Å; W55-F594 HydrophobicContact CH2-CD1 3.77Å; W55-F594 AromaticContact CH2-CE1 3.56Å; W55-F594 HydrophobicContact CH2-CE1 3.56Å; W55-F594 AromaticContact CZ2-CD1 4Å; W55-F594 HydrophobicContact CZ2-CD1 4Å; W55-F594 HydrophobicContact CZ2-CE1 4.11Å; W55-A596 HydrophobicContact CZ2-CB 3.78Å
56N97Very high97.5Very high2 Ų227.3 Ų27.31%0.01115%0.147CC..  trans-68.4168.2162.477.5-33.8000110.8K58 G59 D60 L61 F98 D104N56-K58 PolarHBondContact O-N 3.46Å; N56-K58 VanDerWaalsContact O-N 3.1Å; N56-G59 PolarHBondContact O-N 2.9Å; N56-G59 WeakPolarHBondContact OD1-CA 3.45Å; N56-G59 PolarHBondContact OD1-N 3.19Å; N56-D60 PolarHBondContact ND2-OD1 3.23Å; N56-D60 PolarHBondContact OD1-N 3.46Å; N56-D60 VanDerWaalsContact OD1-N 3.12Å; N56-D60 PolarHBondContact OD1-OD1 3.02Å; N56-L61 HydrophobicContact CB-CB 4.22Å; N56-L61 PolarHBondContact N-O 2.98Å; N56-L61 PolarHBondContact OD1-N 3.44Å; N56-L61 PolarHBondContact OD1-O 2.79Å; N56-F98 HydrophobicContact CB-CD1 4.41Å; N56-F98 HydrophobicContact CB-CD2 3.78Å; N56-F98 HydrophobicContact CB-CE1 4.45Å; N56-F98 HydrophobicContact CB-CE2 3.82Å; N56-F98 HydrophobicContact CB-CG 4.09Å; N56-F98 HydrophobicContact CB-CZ 4.16Å; N56-D104 WeakPolarHBondContact CB-OD1 3.45Å; N56-D104 VanDerWaalsContact ND2-CG 3.34Å; N56-D104 PolarHBondContact ND2-OD1 3.18Å; N56-D104 PolarHBondContact ND2-OD2 2.91Å
57E93Very high97.5Very high109 Ų10928.5 Ų28.551%0.50915%0.154SC..THydrogen-bonded Turntrans-57.7-32.1-174.2-66.9-177.1168.700113.6P100E57-P100 WeakPolarHBondContact OE1-CB 3.33Å
58K92.9Very high97.5Very high134 Ų13424.6 Ų24.658%0.58313%0.125SC*.THydrogen-bonded Turntrans-81.3-23.3179-64.9173.1-170149.60113.2N56 D60 D104N56-K58 PolarHBondContact O-N 3.46Å; N56-K58 VanDerWaalsContact O-N 3.1Å; K58-D60 VanDerWaalsContact C-N 3.32Å; K58-D60 WeakPolarHBondContact CB-OD1 3.41Å; K58-D104 IonicContact NZ-OD2 3.71Å; K58-D104 PolarHBondContact NZ-OD2 3.2Å
59G95.3Very high97.6Very high4 Ų426.6 Ų26.64%0.04113%0.13CC..SBendtrans79.36.5-174.200000115W55 N56 H589W55-G59 WeakPolarHBondContact CZ3-O 3.38Å; N56-G59 PolarHBondContact O-N 2.9Å; N56-G59 WeakPolarHBondContact OD1-CA 3.45Å; N56-G59 PolarHBondContact OD1-N 3.19Å; G59-H589 WeakPolarHBondContact CA-NE2 3.48Å; G59-H589 PolarHBondContact O-CD2 3.28Å; G59-H589 PolarHBondContact O-NE2 3.27Å
60D96.7Very high97.6Very high86 Ų8628.9 Ų28.946%0.4614%0.139SC..SBendtrans-85.4-12.5177.659.9-11.1000113.5N56 K58 P76N56-D60 PolarHBondContact ND2-OD1 3.23Å; N56-D60 PolarHBondContact OD1-N 3.46Å; N56-D60 VanDerWaalsContact OD1-N 3.12Å; N56-D60 PolarHBondContact OD1-OD1 3.02Å; K58-D60 VanDerWaalsContact C-N 3.32Å; K58-D60 WeakPolarHBondContact CB-OD1 3.41Å; D60-P76 WeakPolarHBondContact O-CD 3.33Å
61L98.2Very high97.7Very high35 Ų3528.9 Ų28.918%0.18314%0.14CC..  trans-124.6140.7173.9-59.9175.4000110.9N56 V73 L82 F98 D104N56-L61 HydrophobicContact CB-CB 4.22Å; N56-L61 PolarHBondContact N-O 2.98Å; N56-L61 PolarHBondContact OD1-N 3.44Å; N56-L61 PolarHBondContact OD1-O 2.79Å; L61-V73 HydrophobicContact CB-CG1 4.35Å; L61-V73 HydrophobicContact CD1-CG1 4.48Å; L61-V73 HydrophobicContact CD2-CG1 4.18Å; L61-L82 HydrophobicContact CD2-CD1 3.49Å; L61-L82 VanDerWaalsContact CD2-CD1 3.49Å; L61-F98 HydrophobicContact CB-CZ 4.27Å; L61-D104 HydrophobicContact CD1-CB 4.03Å
62L98.7Very high97.7Very high0 Ų028.4 Ų28.40%014%0.137CC..EExtended strand (participates in β ladder)trans-117.9127.6170.5-179.367.2000108.8L53 W55 V73 W74 P76 A596 V604 L606L53-L62 HydrophobicContact CB-CD1 4.34Å; W55-L62 HydrophobicContact CD2-CD1 3.86Å; W55-L62 HydrophobicContact CE3-CB 4.13Å; W55-L62 HydrophobicContact CE3-CD1 4.2Å; W55-L62 HydrophobicContact CG-CD1 4.28Å; W55-L62 HydrophobicContact CH2-CB 4.22Å; W55-L62 HydrophobicContact CH2-CD1 4.37Å; W55-L62 HydrophobicContact CH2-CD2 4.33Å; W55-L62 HydrophobicContact CZ2-CD1 4.07Å; W55-L62 HydrophobicContact CZ2-CD2 4.39Å; W55-L62 HydrophobicContact CZ3-CB 3.97Å; W55-L62 HydrophobicContact CZ3-CD1 4.48Å; L62-V73 WeakPolarHBondContact O-CA 3.36Å; L62-W74 HydrophobicContact CB-CB 4.35Å; L62-W74 PolarHBondContact N-O 3.01Å; L62-W74 VanDerWaalsContact O-CD1 3.25Å; L62-W74 PolarHBondContact O-N 3.49Å; L62-P76 HydrophobicContact CB-CG 4.26Å; L62-A596 HydrophobicContact CD1-CB 4.19Å; L62-A596 HydrophobicContact CD2-CB 3.71Å; L62-V604 HydrophobicContact CD2-CG1 3.83Å; L62-L606 HydrophobicContact CD2-CD2 4.1Å
63A98.8Very high97.7Very high0 Ų028.8 Ų28.80%014%0.139CC..EExtended strand (participates in β ladder)trans-100.7143.1170.400000110.2L53 E54 I72 V96 F98 L107L53-A63 CarbonylContact C-O 3.59Å; L53-A63 VanDerWaalsContact CA-O 3.28Å; L53-A63 WeakPolarHBondContact CA-O 3.42Å; E54-A63 PolarHBondContact N-O 2.93Å; E54-A63 PolarHBondContact O-N 3.45Å; A63-I72 CarbonylContact C-O 3.57Å; A63-I72 WeakPolarHBondContact CA-O 3.24Å; A63-V96 HydrophobicContact CB-CG1 4.39Å; A63-V96 HydrophobicContact CB-CG2 3.96Å; A63-F98 HydrophobicContact CB-CD2 4.47Å; A63-F98 HydrophobicContact CB-CE2 3.61Å; A63-F98 HydrophobicContact CB-CZ 3.85Å; A63-L107 HydrophobicContact CB-CD1 4.02Å; A63-L107 HydrophobicContact CB-CD2 4.04Å
64S98.8Very high97.7Very high0 Ų028.8 Ų28.80%014%0.139CC..EExtended strand (participates in β ladder)trans-128.5147.8172.360.20000111.4H46 C52 T71 I72 W74H46-S64 PolarHBondContact CD2-OG 3.14Å; H46-S64 PolarHBondContact NE2-OG 3.43Å; C52-S64 WeakPolarHBondContact O-CA 3.34Å; S64-T71 CarbonylContact O-C 3.42Å; S64-T71 WeakPolarHBondContact O-CA 3.49Å; S64-T71 WeakPolarHBondContact O-CB 3.46Å; S64-I72 PolarHBondContact N-O 2.89Å; S64-I72 PolarHBondContact O-N 3.33Å; S64-I72 PolarHBondContact OG-O 2.71Å; S64-W74 PolarHBondContact OG-NE1 2.82Å
65G98.6Very high97.7Very high0 Ų029 Ų290%014%0.141CC..EExtended strand (participates in β ladder)trans-129.1141.1171.700000111.3N51 C52N51-G65 PolarHBondContact N-O 2.83Å; N51-G65 VanDerWaalsContact N-O 3.11Å; C52-G65 PolarHBondContact N-O 2.87Å; C52-G65 PolarHBondContact O-N 3.29Å
66S98.6Very high97.6Very high0 Ų028.4 Ų28.40%014%0.139CC..EExtended strand (participates in β ladder)trans-134.7166.7-166.8172.10000113.8H46 G48 C49 D68 Q69 H70 I93H46-S66 VanDerWaalsContact CE1-CB 3.46Å; H46-S66 WeakPolarHBondContact CE1-CB 3.37Å; H46-S66 WeakPolarHBondContact ND1-CB 3.09Å; G48-S66 PolarHBondContact O-OG 3.06Å; C49-S66 CarbonylContact O-C 3.53Å; C49-S66 WeakPolarHBondContact O-CA 3.35Å; C49-S66 VanDerWaalsContact O-CB 3.3Å; C49-S66 WeakPolarHBondContact O-CB 3.45Å; C49-S66 PolarHBondContact O-OG 3.39Å; S66-D68 VanDerWaalsContact CB-OD1 3.29Å; S66-D68 WeakPolarHBondContact CB-OD1 3.45Å; S66-D68 PolarHBondContact O-N 3.47Å; S66-D68 PolarHBondContact OG-N 3.42Å; S66-D68 PolarHBondContact OG-OD1 3.2Å; S66-Q69 PolarHBondContact O-N 3.03Å; S66-H70 PolarHBondContact N-O 3.03Å; S66-I93 PolarHBondContact O-N 2.69Å
67D98.4Very high97.4Very high39 Ų3934.7 Ų34.721%0.20917%0.172CC..THydrogen-bonded Turntrans-57.5-24.8165.9-74.63.3000113.2C49 N51 Q69 N92C49-D67 WeakPolarHBondContact CB-OD2 3.37Å; C49-D67 PolarHBondContact O-N 2.97Å; C49-D67 PolarHBondContact SG-OD2 3.35Å; N51-D67 PolarHBondContact ND2-OD1 2.91Å; D67-Q69 PolarHBondContact O-N 3.45Å; D67-Q69 VanDerWaalsContact O-N 3.14Å; D67-N92 VanDerWaalsContact CG-CG 3.5Å; D67-N92 WeakPolarHBondContact OD1-CB 3.49Å; D67-N92 PolarHBondContact OD1-ND2 3.23Å; D67-N92 PolarHBondContact OD2-ND2 3.16Å
68D98.4Very high97.6Very high23 Ų2334.8 Ų34.812%0.12317%0.172CC..THydrogen-bonded Turntrans-734175.671.313.4000114H46 S47 S66 H70H46-D68 WeakPolarHBondContact CA-OD2 3.31Å; H46-D68 WeakPolarHBondContact CB-OD2 3.48Å; H46-D68 IonicContact CE1-OD1 2.98Å; H46-D68 IonicContact CE1-OD2 3.35Å; H46-D68 IonicContact CG-OD2 2.71Å; H46-D68 VanDerWaalsContact ND1-CG 3.34Å; H46-D68 IonicContact ND1-OD1 2.68Å; H46-D68 PolarHBondContact ND1-OD1 3.47Å; H46-D68 IonicContact ND1-OD2 2.92Å; H46-D68 PolarHBondContact ND1-OD2 2.97Å; S47-D68 PolarHBondContact N-OD2 3.1Å; S47-D68 WeakPolarHBondContact OG-CB 3.43Å; S66-D68 VanDerWaalsContact CB-OD1 3.29Å; S66-D68 WeakPolarHBondContact CB-OD1 3.45Å; S66-D68 PolarHBondContact O-N 3.47Å; S66-D68 PolarHBondContact OG-N 3.42Å; S66-D68 PolarHBondContact OG-OD1 3.2Å; D68-H70 PolarHBondContact O-CE1 2.79Å; D68-H70 PolarHBondContact O-N 2.79Å; D68-H70 PolarHBondContact O-ND1 3.2Å; D68-H70 WeakPolarHBondContact OD1-CA 3.37Å; D68-H70 VanDerWaalsContact OD1-CB 3.28Å; D68-H70 WeakPolarHBondContact OD1-CB 3.5Å; D68-H70 IonicContact OD1-CG 3.35Å; D68-H70 PolarHBondContact OD1-N 3.19Å; D68-H70 IonicContact OD1-ND1 3.99Å
69Q98.5Very high97.9Very high58 Ų5832.3 Ų32.327%0.27116%0.163SC..SBendtrans66.610179-52.216010.100114.4S66 D67 H86 T87 H89S66-Q69 PolarHBondContact O-N 3.03Å; D67-Q69 PolarHBondContact O-N 3.45Å; D67-Q69 VanDerWaalsContact O-N 3.14Å; Q69-H86 PolarHBondContact OE1-NE2 3.01Å; Q69-H86 VanDerWaalsContact OE1-NE2 3.11Å; Q69-T87 WeakPolarHBondContact O-CB 3.03Å; Q69-T87 PolarHBondContact O-N 2.75Å; Q69-T87 PolarHBondContact O-OG1 3.27Å; Q69-H89 VanDerWaalsContact CD-O 3.29Å; Q69-H89 WeakPolarHBondContact CG-O 3.22Å; Q69-H89 PolarHBondContact OE1-O 3.4Å; Q69-H89 VanDerWaalsContact OE1-O 3.07Å
70H98.6Very high98Very high56 Ų5638.1 Ų38.126%0.25919%0.187SC..EExtended strand (participates in β ladder)trans-98.6153.1175.2-64.468.6000111.4H46 S66 D68 M85 H86 I93H46-H70 PolarHBondContact CE1-O 3.04Å; S66-H70 PolarHBondContact N-O 3.03Å; D68-H70 PolarHBondContact O-CE1 2.79Å; D68-H70 PolarHBondContact O-N 2.79Å; D68-H70 PolarHBondContact O-ND1 3.2Å; D68-H70 WeakPolarHBondContact OD1-CA 3.37Å; D68-H70 VanDerWaalsContact OD1-CB 3.28Å; D68-H70 WeakPolarHBondContact OD1-CB 3.5Å; D68-H70 IonicContact OD1-CG 3.35Å; D68-H70 PolarHBondContact OD1-N 3.19Å; D68-H70 IonicContact OD1-ND1 3.99Å; H70-M85 VanDerWaalsContact CA-O 3.27Å; H70-M85 WeakPolarHBondContact CA-O 3.49Å; H70-H86 PolarHBondContact CD2-N 2.81Å; H70-H86 AromaticContact CE1-CD2 3.6Å; H70-H86 AromaticContact NE2-CD2 3.94Å; H70-I93 WeakPolarHBondContact O-CD1 3.16Å
71T98.6Very high98Very high1 Ų139.2 Ų39.21%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-105.5142.2156.149.70000109.7S64 M85 T87 I93 V96 T109S64-T71 CarbonylContact O-C 3.42Å; S64-T71 WeakPolarHBondContact O-CA 3.49Å; S64-T71 WeakPolarHBondContact O-CB 3.46Å; T71-M85 PolarHBondContact N-O 2.99Å; T71-M85 PolarHBondContact O-N 2.99Å; T71-T87 HydrophobicContact CG2-CG2 3.65Å; T71-I93 HydrophobicContact CG2-CD1 4.3Å; T71-V96 HydrophobicContact CG2-CG2 4.3Å; T71-T109 HydrophobicContact CG2-CG2 3.52Å
72I98.7Very high98Very high0 Ų042.1 Ų42.10%020%0.203CC..EExtended strand (participates in β ladder)trans-120.1134.5171.7-60.9177.2000108.9A63 S64 W74 K81 L83A63-I72 CarbonylContact C-O 3.57Å; A63-I72 WeakPolarHBondContact CA-O 3.24Å; S64-I72 PolarHBondContact N-O 2.89Å; S64-I72 PolarHBondContact O-N 3.33Å; S64-I72 PolarHBondContact OG-O 2.71Å; I72-W74 HydrophobicContact CB-CD2 4.46Å; I72-W74 HydrophobicContact CB-CH2 4.49Å; I72-W74 HydrophobicContact CB-CZ2 3.71Å; I72-W74 HydrophobicContact CD1-CH2 3.87Å; I72-W74 HydrophobicContact CD1-CZ2 3.62Å; I72-W74 HydrophobicContact CG1-CZ2 4.25Å; I72-W74 HydrophobicContact CG2-CD2 3.52Å; I72-W74 HydrophobicContact CG2-CE3 3.95Å; I72-W74 HydrophobicContact CG2-CG 4.11Å; I72-W74 HydrophobicContact CG2-CH2 3.83Å; I72-W74 HydrophobicContact CG2-CZ2 3.38Å; I72-W74 HydrophobicContact CG2-CZ3 4.09Å; I72-K81 HydrophobicContact CD1-CD 4.1Å; I72-K81 HydrophobicContact CG2-CD 3.98Å; I72-K81 HydrophobicContact CG2-CG 3.69Å; I72-L83 CarbonylContact C-O 3.54Å; I72-L83 VanDerWaalsContact CA-O 3.28Å; I72-L83 WeakPolarHBondContact CA-O 3.47Å; I72-L83 WeakPolarHBondContact CG2-O 3.43Å
73V98.7Very high98Very high9 Ų943.1 Ų43.16%0.05521%0.208CC..EExtended strand (participates in β ladder)trans-103.3125.2167.8-175.90000108.1L61 L62 L82 L83 L107 L121L61-V73 HydrophobicContact CB-CG1 4.35Å; L61-V73 HydrophobicContact CD1-CG1 4.48Å; L61-V73 HydrophobicContact CD2-CG1 4.18Å; L62-V73 WeakPolarHBondContact O-CA 3.36Å; V73-L82 HydrophobicContact CG1-CD1 4.5Å; V73-L82 WeakPolarHBondContact O-CB 3.47Å; V73-L82 PolarHBondContact O-N 3.26Å; V73-L83 HydrophobicContact CB-CB 4.27Å; V73-L83 PolarHBondContact N-O 3.1Å; V73-L83 PolarHBondContact O-N 2.98Å; V73-L107 HydrophobicContact CG2-CD1 4.01Å; V73-L121 HydrophobicContact CG2-CD1 3.84Å; V73-L121 HydrophobicContact CG2-CD2 4.31Å
74W98.7Very high97.9Very high4 Ų445.8 Ų45.82%0.01523%0.227CC..EExtended strand (participates in β ladder)trans-110.4147.2-176.3-48.891.8000110.8L43 Q44 L62 S64 I72 P76 K80 K81 V604L43-W74 HydrophobicContact CB-CD2 4.21Å; L43-W74 HydrophobicContact CB-CE3 3.84Å; L43-W74 HydrophobicContact CB-CH2 4Å; L43-W74 HydrophobicContact CB-CZ2 4.36Å; L43-W74 HydrophobicContact CB-CZ3 3.73Å; L43-W74 HydrophobicContact CD1-CB 3.94Å; L43-W74 HydrophobicContact CD1-CD2 3.73Å; L43-W74 HydrophobicContact CD1-CE3 3.87Å; L43-W74 HydrophobicContact CD1-CG 3.77Å; L43-W74 HydrophobicContact CG-CE3 4.36Å; Q44-W74 WeakPolarHBondContact O-CH2 3.02Å; L62-W74 HydrophobicContact CB-CB 4.35Å; L62-W74 PolarHBondContact N-O 3.01Å; L62-W74 VanDerWaalsContact O-CD1 3.25Å; L62-W74 PolarHBondContact O-N 3.49Å; S64-W74 PolarHBondContact OG-NE1 2.82Å; I72-W74 HydrophobicContact CB-CD2 4.46Å; I72-W74 HydrophobicContact CB-CH2 4.49Å; I72-W74 HydrophobicContact CB-CZ2 3.71Å; I72-W74 HydrophobicContact CD1-CH2 3.87Å; I72-W74 HydrophobicContact CD1-CZ2 3.62Å; I72-W74 HydrophobicContact CG1-CZ2 4.25Å; I72-W74 HydrophobicContact CG2-CD2 3.52Å; I72-W74 HydrophobicContact CG2-CE3 3.95Å; I72-W74 HydrophobicContact CG2-CG 4.11Å; I72-W74 HydrophobicContact CG2-CH2 3.83Å; I72-W74 HydrophobicContact CG2-CZ2 3.38Å; I72-W74 HydrophobicContact CG2-CZ3 4.09Å; W74-P76 WeakPolarHBondContact O-CD 3.46Å; W74-K80 CarbonylContact C-O 3.53Å; W74-K80 WeakPolarHBondContact CA-O 3.39Å; W74-K81 HydrophobicContact CE3-CB 3.92Å; W74-K81 HydrophobicContact CE3-CG 4.43Å; W74-K81 HydrophobicContact CH2-CD 4.45Å; W74-K81 HydrophobicContact CZ3-CB 3.74Å; W74-K81 HydrophobicContact CZ3-CD 4.3Å; W74-K81 HydrophobicContact CZ3-CG 4.18Å; W74-V604 HydrophobicContact CZ2-CG2 4.49Å
75D98Very high97.9Very high32 Ų3246.4 Ų46.417%0.17123%0.23CC..EExtended strand (participates in β ladder)trans-93102.8155.2178-21.5000106.9L77 H78 H79 K80 L82D75-L77 VanDerWaalsContact C-N 3.34Å; D75-L77 PolarHBondContact OD1-N 2.85Å; D75-L77 VanDerWaalsContact OD1-N 3.08Å; D75-H78 VanDerWaalsContact CG-ND1 3.33Å; D75-H78 IonicContact OD1-CG 3.82Å; D75-H78 PolarHBondContact OD1-N 2.83Å; D75-H78 IonicContact OD1-ND1 3.24Å; D75-H78 PolarHBondContact OD1-ND1 3.41Å; D75-H78 IonicContact OD2-CE1 3.77Å; D75-H78 IonicContact OD2-CG 3.54Å; D75-H78 IonicContact OD2-ND1 2.71Å; D75-H78 PolarHBondContact OD2-ND1 3.08Å; D75-H79 CarbonylContact O-C 3.57Å; D75-H79 WeakPolarHBondContact O-CA 3.4Å; D75-H79 PolarHBondContact O-N 2.89Å; D75-K80 HydrophobicContact CB-CB 4.25Å; D75-K80 PolarHBondContact N-O 2.83Å; D75-K80 PolarHBondContact O-N 3.06Å; D75-L82 HydrophobicContact CB-CD1 3.92Å; D75-L82 HydrophobicContact CB-CD2 3.9Å; D75-L82 HydrophobicContact CB-CG 3.87Å
76P96.3Very high97.8Very high4 Ų450.6 Ų50.63%0.02625%0.249CC..THydrogen-bonded Turntrans-80.6-16.5-174.726.6-22.7000112.7W55 D60 L62 W74 H79 F594 L606W55-P76 HydrophobicContact CE3-CG 4.5Å; W55-P76 HydrophobicContact CH2-CB 3.87Å; W55-P76 HydrophobicContact CH2-CG 3.68Å; W55-P76 HydrophobicContact CZ3-CB 4.07Å; W55-P76 HydrophobicContact CZ3-CG 3.33Å; D60-P76 WeakPolarHBondContact O-CD 3.33Å; L62-P76 HydrophobicContact CB-CG 4.26Å; W74-P76 WeakPolarHBondContact O-CD 3.46Å; P76-H79 PolarHBondContact O-CD2 3.35Å; P76-F594 HydrophobicContact CB-CE1 4.19Å; P76-L606 HydrophobicContact CB-CD1 3.94Å; P76-L606 HydrophobicContact CB-CD2 4.24Å
77L93.6Very high97.8Very high134 Ų13450.6 Ų50.670%0.70225%0.249SC*.THydrogen-bonded Turntrans-75.1-39.3175.7178.663.6000111.1D75D75-L77 VanDerWaalsContact C-N 3.34Å; D75-L77 PolarHBondContact OD1-N 2.85Å; D75-L77 VanDerWaalsContact OD1-N 3.08Å
78H97.2Very high97.8Very high112 Ų11250.7 Ų50.752%0.51926%0.259SS..THydrogen-bonded Turntrans-100.25.2179.3-55.4105.3000113.4D75 K80D75-H78 VanDerWaalsContact CG-ND1 3.33Å; D75-H78 IonicContact OD1-CG 3.82Å; D75-H78 PolarHBondContact OD1-N 2.83Å; D75-H78 IonicContact OD1-ND1 3.24Å; D75-H78 PolarHBondContact OD1-ND1 3.41Å; D75-H78 IonicContact OD2-CE1 3.77Å; D75-H78 IonicContact OD2-CG 3.54Å; D75-H78 IonicContact OD2-ND1 2.71Å; D75-H78 PolarHBondContact OD2-ND1 3.08Å; H78-K80 VanDerWaalsContact C-N 3.27Å; H78-K80 HydrophobicContact CB-CD 4.17Å; H78-K80 HydrophobicContact CB-CG 4.28Å; H78-K80 WeakPolarHBondContact O-CG 3.46Å; H78-K80 PolarHBondContact O-N 3.4Å
79H97.5Very high97.8Very high81 Ų8149.6 Ų49.638%0.37525%0.253SS..THydrogen-bonded Turntrans53.339.5-177.2-46.5143.2000113.4E40 L43 D75 P76E40-H79 IonicContact OE1-CD2 2.67Å; E40-H79 IonicContact OE1-CE1 2.75Å; E40-H79 PolarHBondContact OE1-CE1 2.78Å; E40-H79 IonicContact OE1-NE2 3.54Å; E40-H79 PolarHBondContact OE1-NE2 2.93Å; L43-H79 HydrophobicContact CD2-CB 3.85Å; D75-H79 CarbonylContact O-C 3.57Å; D75-H79 WeakPolarHBondContact O-CA 3.4Å; D75-H79 PolarHBondContact O-N 2.89Å; P76-H79 PolarHBondContact O-CD2 3.35Å
80K98Very high97.8Very high127 Ų12751.5 Ų51.555%0.55227%0.269SS*.EExtended strand (participates in β ladder)trans-110137.3-175-74.4177.2-175177.40112.4W74 D75 H78 L82W74-K80 CarbonylContact C-O 3.53Å; W74-K80 WeakPolarHBondContact CA-O 3.39Å; D75-K80 HydrophobicContact CB-CB 4.25Å; D75-K80 PolarHBondContact N-O 2.83Å; D75-K80 PolarHBondContact O-N 3.06Å; H78-K80 VanDerWaalsContact C-N 3.27Å; H78-K80 HydrophobicContact CB-CD 4.17Å; H78-K80 HydrophobicContact CB-CG 4.28Å; H78-K80 WeakPolarHBondContact O-CG 3.46Å; H78-K80 PolarHBondContact O-N 3.4Å; K80-L82 PolarHBondContact O-N 2.86Å
81K98Very high97.8Very high109 Ų10949.9 Ų49.947%0.47427%0.265SS..EExtended strand (participates in β ladder)trans-74.8111.3163.4-177.7165.367.6-178.10109.5I72 W74I72-K81 HydrophobicContact CD1-CD 4.1Å; I72-K81 HydrophobicContact CG2-CD 3.98Å; I72-K81 HydrophobicContact CG2-CG 3.69Å; W74-K81 HydrophobicContact CE3-CB 3.92Å; W74-K81 HydrophobicContact CE3-CG 4.43Å; W74-K81 HydrophobicContact CH2-CD 4.45Å; W74-K81 HydrophobicContact CZ3-CB 3.74Å; W74-K81 HydrophobicContact CZ3-CD 4.3Å; W74-K81 HydrophobicContact CZ3-CG 4.18Å
82L97.8Very high97.8Very high95 Ų9552.1 Ų52.150%0.49728%0.277SS..EExtended strand (participates in β ladder)trans-85.6-44.2180-62.4177.6000111.8L61 V73 D75 K80L61-L82 HydrophobicContact CD2-CD1 3.49Å; L61-L82 VanDerWaalsContact CD2-CD1 3.49Å; V73-L82 HydrophobicContact CG1-CD1 4.5Å; V73-L82 WeakPolarHBondContact O-CB 3.47Å; V73-L82 PolarHBondContact O-N 3.26Å; D75-L82 HydrophobicContact CB-CD1 3.92Å; D75-L82 HydrophobicContact CB-CD2 3.9Å; D75-L82 HydrophobicContact CB-CG 3.87Å; K80-L82 PolarHBondContact O-N 2.86Å
83L97.9Very high97.8Very high21 Ų2152.1 Ų52.111%0.1128%0.277CS..EExtended strand (participates in β ladder)trans-145.6135.5-177.1174.661000109.9I72 V73 M85 L121 K124I72-L83 CarbonylContact C-O 3.54Å; I72-L83 VanDerWaalsContact CA-O 3.28Å; I72-L83 WeakPolarHBondContact CA-O 3.47Å; I72-L83 WeakPolarHBondContact CG2-O 3.43Å; V73-L83 HydrophobicContact CB-CB 4.27Å; V73-L83 PolarHBondContact N-O 3.1Å; V73-L83 PolarHBondContact O-N 2.98Å; L83-M85 HydrophobicContact CG-CB 4.5Å; L83-L121 HydrophobicContact CD2-CB 4.05Å; L83-L121 HydrophobicContact CD2-CD2 3.79Å; L83-L121 HydrophobicContact CD2-CG 4.44Å; L83-K124 HydrophobicContact CD1-CD 3.55Å; L83-K124 HydrophobicContact CD1-CG 3.88Å; L83-K124 HydrophobicContact CD2-CG 4.31Å
84S97.9Very high97.8Very high57 Ų5751.9 Ų51.940%0.39928%0.276SS..EExtended strand (participates in β ladder)trans-122.9128.4167.3-171.40000107.8
85M97.3Very high97.7Very high12 Ų1251.8 Ų51.86%0.05928%0.275CS..EExtended strand (participates in β ladder)trans-140.7126.6-173.6180178.864.500110.1H70 T71 L83 H119 L121 K124H70-M85 VanDerWaalsContact CA-O 3.27Å; H70-M85 WeakPolarHBondContact CA-O 3.49Å; T71-M85 PolarHBondContact N-O 2.99Å; T71-M85 PolarHBondContact O-N 2.99Å; L83-M85 HydrophobicContact CG-CB 4.5Å; M85-H119 HydrophobicContact CE-CB 3.54Å; M85-H119 HydrophobicContact SD-CB 4.49Å; M85-L121 HydrophobicContact CE-CD2 3.76Å; M85-K124 VanDerWaalsContact SD-C 3.56Å; M85-K124 HydrophobicContact SD-CB 4.22Å
86H97.9Very high97.8Very high89 Ų8950.4 Ų50.441%0.41227%0.268SS..EExtended strand (participates in β ladder)trans-68.9129.6168.7-172.6-79.5000108.2Q69 H70 G88Q69-H86 PolarHBondContact OE1-NE2 3.01Å; Q69-H86 VanDerWaalsContact OE1-NE2 3.11Å; H70-H86 PolarHBondContact CD2-N 2.81Å; H70-H86 AromaticContact CE1-CD2 3.6Å; H70-H86 AromaticContact NE2-CD2 3.94Å; H86-G88 PolarHBondContact CE1-N 2.97Å; H86-G88 PolarHBondContact ND1-N 3.05Å
87T98.2Very high97.9Very high0 Ų051.9 Ų51.90%027%0.274CS..  trans-84-16-170.857.30000113.7Q69 T71 H89 I93 T109 H117 H119 T126Q69-T87 WeakPolarHBondContact O-CB 3.03Å; Q69-T87 PolarHBondContact O-N 2.75Å; Q69-T87 PolarHBondContact O-OG1 3.27Å; T71-T87 HydrophobicContact CG2-CG2 3.65Å; T87-H89 VanDerWaalsContact C-N 3.27Å; T87-H89 WeakPolarHBondContact OG1-CB 3.32Å; T87-H89 PolarHBondContact OG1-CD2 3.26Å; T87-H89 VanDerWaalsContact OG1-CD2 3.27Å; T87-H89 PolarHBondContact OG1-N 2.72Å; T87-I93 HydrophobicContact CG2-CD1 3.72Å; T87-T109 HydrophobicContact CG2-CG2 4.39Å; T87-H117 PolarHBondContact O-CD2 3.47Å; T87-H119 PolarHBondContact O-CE1 2.96Å; T87-T126 PolarHBondContact O-OG1 3.18Å
88G97.9Very high98.1Very high40 Ų4046 Ų4641%0.41224%0.243SC..SBendtrans84.4-6.1-166.900000114.3H86H86-G88 PolarHBondContact CE1-N 2.97Å; H86-G88 PolarHBondContact ND1-N 3.05Å
89H98.6Very high98.1Very high1 Ų141.1 Ų41.11%0.00522%0.22CC..  trans-64.5148.3170.5-75.2-63000111Q69 T87 T109 A111 D113 K115 H117Q69-H89 VanDerWaalsContact CD-O 3.29Å; Q69-H89 WeakPolarHBondContact CG-O 3.22Å; Q69-H89 PolarHBondContact OE1-O 3.4Å; Q69-H89 VanDerWaalsContact OE1-O 3.07Å; T87-H89 VanDerWaalsContact C-N 3.27Å; T87-H89 WeakPolarHBondContact OG1-CB 3.32Å; T87-H89 PolarHBondContact OG1-CD2 3.26Å; T87-H89 VanDerWaalsContact OG1-CD2 3.27Å; T87-H89 PolarHBondContact OG1-N 2.72Å; H89-T109 PolarHBondContact CD2-OG1 3.47Å; H89-T109 PolarHBondContact NE2-OG1 2.76Å; H89-A111 HydrophobicContact CB-CB 4.13Å; H89-A111 WeakPolarHBondContact ND1-CB 3.28Å; H89-D113 VanDerWaalsContact CA-OD2 3.23Å; H89-D113 WeakPolarHBondContact CA-OD2 3.47Å; H89-D113 IonicContact CE1-OD1 2.78Å; H89-D113 IonicContact CG-OD2 3.84Å; H89-D113 IonicContact ND1-OD1 3.45Å; H89-D113 PolarHBondContact ND1-OD1 3.13Å; H89-D113 IonicContact ND1-OD2 3.65Å; H89-D113 PolarHBondContact ND1-OD2 3.29Å; H89-K115 PolarHBondContact CE1-O 3.13Å; H89-H117 AromaticContact CD2-CD2 3.67Å; H89-H117 AromaticContact CE1-CD2 3.5Å; H89-H117 PolarHBondContact CE1-CD2 3.01Å; H89-H117 VanDerWaalsContact CE1-CD2 3.5Å; H89-H117 AromaticContact CE1-CE1 3.76Å; H89-H117 AromaticContact CE1-CG 3.54Å; H89-H117 AromaticContact CE1-ND1 3.7Å; H89-H117 AromaticContact CE1-NE2 3.7Å; H89-H117 AromaticContact CG-CD2 3.75Å; H89-H117 AromaticContact CG-NE2 3.9Å; H89-H117 AromaticContact ND1-CD2 3.65Å; H89-H117 AromaticContact ND1-CE1 3.85Å; H89-H117 AromaticContact ND1-NE2 3.52Å; H89-H117 AromaticContact NE2-CD2 3.52Å; H89-H117 AromaticContact NE2-CG 3.56Å
90T98.4Very high98Very high97 Ų9737.6 Ų37.660%0.59521%0.205SC*.SBendtrans-107.28.1179.9580000113.4D113T90-D113 PolarHBondContact N-OD2 3.45Å; T90-D113 WeakPolarHBondContact OG1-CB 3.49Å
91A98.3Very high97.7Very high23 Ų2337.5 Ų37.519%0.1921%0.206CC..SBendtrans-155.4-179.2179.100000110.8I93 A112 D113A91-I93 PolarHBondContact O-N 2.67Å; A91-A112 HydrophobicContact CB-CB 3.74Å; A91-D113 HydrophobicContact CB-CB 4.02Å
92N98.1Very high97.4Very high47 Ų4732.8 Ų32.825%0.25119%0.187SC..  trans-55.5130.2-171.2-54.321.8000112.8D67 F94 A111 A112D67-N92 VanDerWaalsContact CG-CG 3.5Å; D67-N92 WeakPolarHBondContact OD1-CB 3.49Å; D67-N92 PolarHBondContact OD1-ND2 3.23Å; D67-N92 PolarHBondContact OD2-ND2 3.16Å; N92-F94 HydrophobicContact CB-CD1 4.46Å; N92-F94 HydrophobicContact CB-CE1 3.87Å; N92-F94 HydrophobicContact CB-CZ 4.05Å; N92-A111 CarbonylContact O-C 3.17Å; N92-A111 VanDerWaalsContact O-CA 3.24Å; N92-A111 WeakPolarHBondContact O-CA 3.33Å; N92-A111 VanDerWaalsContact O-CB 3.27Å; N92-A111 WeakPolarHBondContact O-CB 3.08Å; N92-A112 HydrophobicContact CB-CB 4.29Å; N92-A112 PolarHBondContact O-N 3.49Å
93I98.6Very high97.3Very high0 Ų031.2 Ų31.20%020%0.195CC..EExtended strand (participates in β ladder)trans-81.3124.1174-58.3167.7000108N51 S66 H70 T71 T87 A91 T109 A111N51-I93 WeakPolarHBondContact CB-O 3.28Å; N51-I93 PolarHBondContact ND2-O 3.16Å; S66-I93 PolarHBondContact O-N 2.69Å; H70-I93 WeakPolarHBondContact O-CD1 3.16Å; T71-I93 HydrophobicContact CG2-CD1 4.3Å; T87-I93 HydrophobicContact CG2-CD1 3.72Å; A91-I93 PolarHBondContact O-N 2.67Å; I93-T109 HydrophobicContact CG2-CG2 4.3Å; I93-A111 HydrophobicContact CG1-CB 4.48Å
94F98.6Very high97.1Very high5 Ų531.9 Ų31.92%0.02220%0.198CC..EExtended strand (participates in β ladder)trans-107.4-13.8-178.4-66.2-45.9000113.9N51 C52 N92 G110 A112 R136 K138 I540N51-F94 HydrophobicContact CB-CD1 4.25Å; C52-F94 WeakPolarHBondContact CB-O 3.16Å; N92-F94 HydrophobicContact CB-CD1 4.46Å; N92-F94 HydrophobicContact CB-CE1 3.87Å; N92-F94 HydrophobicContact CB-CZ 4.05Å; F94-G110 PolarHBondContact N-O 2.65Å; F94-A112 HydrophobicContact CD2-CB 4.23Å; F94-A112 HydrophobicContact CE2-CB 3.46Å; F94-A112 VanDerWaalsContact CE2-CB 3.46Å; F94-A112 HydrophobicContact CZ-CB 3.91Å; F94-R136 HydrophobicContact CE2-CB 4.3Å; F94-K138 HydrophobicContact CD2-CD 3.82Å; F94-K138 HydrophobicContact CE2-CD 4.06Å; F94-K138 HydrophobicContact CG-CD 4.34Å; F94-I540 HydrophobicContact CD1-CD1 4.38Å; F94-I540 HydrophobicContact CD1-CG2 4.34Å
95S98.7Very high97.1Very high2 Ų235.5 Ų35.51%0.01420%0.203CC..EExtended strand (participates in β ladder)trans-150.6137.9177.4-166.80000111.2C52 T109 G110 I140C52-S95 VanDerWaalsContact SG-C 3.51Å; S95-T109 CarbonylContact O-C 3.51Å; S95-T109 VanDerWaalsContact O-CA 3.24Å; S95-T109 WeakPolarHBondContact O-CA 3.17Å; S95-G110 PolarHBondContact N-O 2.8Å; S95-G110 PolarHBondContact O-N 3.06Å; S95-I140 PolarHBondContact OG-N 3.38Å
96V98.7Very high97.1Very high2 Ų235.5 Ų35.51%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-128.1137.4170.264.50000108.5C52 E54 A63 T71 L107 I108 T109C52-V96 HydrophobicContact CB-CG1 4.17Å; C52-V96 PolarHBondContact SG-N 2.83Å; E54-V96 HydrophobicContact CB-CG1 4.07Å; E54-V96 WeakPolarHBondContact CB-O 3.28Å; A63-V96 HydrophobicContact CB-CG1 4.39Å; A63-V96 HydrophobicContact CB-CG2 3.96Å; T71-V96 HydrophobicContact CG2-CG2 4.3Å; V96-L107 HydrophobicContact CG2-CD1 4.2Å; V96-L107 HydrophobicContact CG2-CD2 4.01Å; V96-I108 CarbonylContact C-O 3.56Å; V96-I108 WeakPolarHBondContact CA-O 3.36Å; V96-T109 HydrophobicContact CB-CG2 4.47Å; V96-T109 HydrophobicContact CG2-CG2 4.2Å
97K98.6Very high97.1Very high35 Ų3531.2 Ų31.215%0.15218%0.183CC..EExtended strand (participates in β ladder)trans-141.8136.2176.7-73.6-60.3-171.3-177.70111.3E54 L107 I108 I140 T142E54-K97 HydrophobicContact CG-CD 4Å; E54-K97 WeakPolarHBondContact OE1-CD 3.12Å; E54-K97 IonicContact OE1-NZ 2.88Å; E54-K97 PolarHBondContact OE1-NZ 2.88Å; E54-K97 IonicContact OE2-NZ 3.67Å; E54-K97 PolarHBondContact OE2-NZ 3.36Å; K97-L107 CarbonylContact O-C 3.12Å; K97-L107 WeakPolarHBondContact O-CA 3.46Å; K97-I108 PolarHBondContact N-O 2.84Å; K97-I108 PolarHBondContact O-N 2.85Å; K97-I140 HydrophobicContact CB-CB 4.48Å; K97-I140 HydrophobicContact CB-CG2 4.05Å; K97-I140 WeakPolarHBondContact CE-O 3.49Å; K97-I140 HydrophobicContact CG-CB 3.96Å; K97-I140 HydrophobicContact CG-CG2 3.91Å; K97-I140 WeakPolarHBondContact CG-O 3.37Å; K97-T142 HydrophobicContact CB-CG2 3.98Å
98F98.1Very high97.1Very high11 Ų1131.2 Ų31.25%0.04818%0.183CC..EExtended strand (participates in β ladder)trans-72.3136.5162-73.3-81.4000109.6E54 N56 L61 A63 P100 L107 L121 T142E54-F98 HydrophobicContact CG-CD2 4.1Å; N56-F98 HydrophobicContact CB-CD1 4.41Å; N56-F98 HydrophobicContact CB-CD2 3.78Å; N56-F98 HydrophobicContact CB-CE1 4.45Å; N56-F98 HydrophobicContact CB-CE2 3.82Å; N56-F98 HydrophobicContact CB-CG 4.09Å; N56-F98 HydrophobicContact CB-CZ 4.16Å; L61-F98 HydrophobicContact CB-CZ 4.27Å; A63-F98 HydrophobicContact CB-CD2 4.47Å; A63-F98 HydrophobicContact CB-CE2 3.61Å; A63-F98 HydrophobicContact CB-CZ 3.85Å; F98-P100 WeakPolarHBondContact O-CD 3.49Å; F98-L107 HydrophobicContact CB-CD2 4.35Å; F98-L107 HydrophobicContact CD1-CD2 3.42Å; F98-L107 VanDerWaalsContact CD1-CD2 3.42Å; F98-L107 HydrophobicContact CD1-CG 4.21Å; F98-L107 HydrophobicContact CD2-CD2 3.93Å; F98-L107 HydrophobicContact CE1-CD2 3.55Å; F98-L107 HydrophobicContact CE1-CG 4.08Å; F98-L107 HydrophobicContact CE2-CD2 4.04Å; F98-L107 HydrophobicContact CG-CD2 3.63Å; F98-L107 HydrophobicContact CZ-CD2 3.86Å; F98-L121 HydrophobicContact CE1-CD1 4.15Å; F98-T142 PolarHBondContact O-OG1 3.36Å
99L97.3Very high97.2Very high9 Ų929.3 Ų29.35%0.04716%0.164CC..PPolyproline II helixtrans-78123170.1-174.769.5000109.3A102 I106 I108 T142 P147 L164L99-A102 HydrophobicContact CB-CB 4.18Å; L99-A102 HydrophobicContact CD2-CB 4.27Å; L99-A102 HydrophobicContact CG-CB 4.39Å; L99-A102 WeakPolarHBondContact O-CB 3.41Å; L99-A102 PolarHBondContact O-N 3.42Å; L99-I106 HydrophobicContact CB-CB 3.95Å; L99-I106 HydrophobicContact CB-CG2 3.85Å; L99-I106 HydrophobicContact CD2-CB 4.24Å; L99-I106 HydrophobicContact CD2-CG2 3.95Å; L99-I106 PolarHBondContact N-O 3.14Å; L99-I108 HydrophobicContact CB-CD1 4.22Å; L99-I108 HydrophobicContact CD1-CD1 3.96Å; L99-T142 HydrophobicContact CD1-CG2 4.48Å; L99-P147 VanDerWaalsContact CD2-O 3.3Å; L99-P147 WeakPolarHBondContact CD2-O 3.47Å; L99-P147 WeakPolarHBondContact CG-O 3.19Å; L99-L164 HydrophobicContact CD2-CD1 3.61Å
100P94.2Very high97.2Very high8 Ų829.3 Ų29.35%0.05216%0.164CC..THydrogen-bonded Turntrans-55.9146.8178.5-3038.8000113.1E57 F98 A102E57-P100 WeakPolarHBondContact OE1-CB 3.33Å; F98-P100 WeakPolarHBondContact O-CD 3.49Å; P100-A102 PolarHBondContact O-N 3.2Å
101H91.8Very high97.2Very high124 Ų12424.7 Ų24.757%0.57414%0.135SC*.THydrogen-bonded Turntrans58.610.3177.7-50-47.1000116G103 P144 P147H101-G103 VanDerWaalsContact C-N 3.27Å; H101-G103 PolarHBondContact O-N 3.43Å; H101-P144 PolarHBondContact CD2-O 2.89Å; H101-P144 PolarHBondContact NE2-O 2.85Å; H101-P147 HydrophobicContact CB-CB 4.1Å
102A93.7Very high97.2Very high10 Ų1024.7 Ų24.78%0.08314%0.135CC..SBendtrans-87.19.1174.600000113.2L99 P100 D104 R105 I106L99-A102 HydrophobicContact CB-CB 4.18Å; L99-A102 HydrophobicContact CD2-CB 4.27Å; L99-A102 HydrophobicContact CG-CB 4.39Å; L99-A102 WeakPolarHBondContact O-CB 3.41Å; L99-A102 PolarHBondContact O-N 3.42Å; P100-A102 PolarHBondContact O-N 3.2Å; A102-D104 VanDerWaalsContact C-N 3.33Å; A102-D104 PolarHBondContact O-N 2.84Å; A102-R105 VanDerWaalsContact O-CD 3.24Å; A102-R105 WeakPolarHBondContact O-CD 3.47Å; A102-R105 WeakPolarHBondContact O-CG 3.3Å; A102-R105 PolarHBondContact O-N 2.85Å; A102-I106 HydrophobicContact CB-CB 3.94Å; A102-I106 HydrophobicContact CB-CG1 3.87Å
103G93.8Very high97.2Very high63 Ų6323.6 Ų23.665%0.64913%0.129SC*.THydrogen-bonded Turntrans62.739-178.500000112.9H101 R105H101-G103 VanDerWaalsContact C-N 3.27Å; H101-G103 PolarHBondContact O-N 3.43Å; G103-R105 PolarHBondContact O-N 3.19Å
104D95.5Very high97.2Very high35 Ų3524.8 Ų24.819%0.18714%0.138CC..THydrogen-bonded Turntrans6012.1179.4-48.8-51.9000114.5N56 K58 L61 A102N56-D104 WeakPolarHBondContact CB-OD1 3.45Å; N56-D104 VanDerWaalsContact ND2-CG 3.34Å; N56-D104 PolarHBondContact ND2-OD1 3.18Å; N56-D104 PolarHBondContact ND2-OD2 2.91Å; K58-D104 IonicContact NZ-OD2 3.71Å; K58-D104 PolarHBondContact NZ-OD2 3.2Å; L61-D104 HydrophobicContact CD1-CB 4.03Å; A102-D104 VanDerWaalsContact C-N 3.33Å; A102-D104 PolarHBondContact O-N 2.84Å
105R96.2Very high97.2Very high133 Ų13327.6 Ų27.650%0.50215%0.15SC..  trans-89.7-23.3-174.987.8-165174.7-163.1-3.4114.3A102 G103 D120 L121A102-R105 VanDerWaalsContact O-CD 3.24Å; A102-R105 WeakPolarHBondContact O-CD 3.47Å; A102-R105 WeakPolarHBondContact O-CG 3.3Å; A102-R105 PolarHBondContact O-N 2.85Å; G103-R105 PolarHBondContact O-N 3.19Å; R105-D120 WeakPolarHBondContact O-CA 3.37Å; R105-L121 WeakPolarHBondContact O-CB 3.49Å; R105-L121 WeakPolarHBondContact O-CG 3.31Å; R105-L121 PolarHBondContact O-N 3.38Å
106I97.8Very high97.2Very high11 Ų1127.5 Ų27.56%0.05615%0.149CC..EExtended strand (participates in β ladder)trans-107.9121.6-175-59-55.3000110.1L99 A102 V118 H119 D120 I127L99-I106 HydrophobicContact CB-CB 3.95Å; L99-I106 HydrophobicContact CB-CG2 3.85Å; L99-I106 HydrophobicContact CD2-CB 4.24Å; L99-I106 HydrophobicContact CD2-CG2 3.95Å; L99-I106 PolarHBondContact N-O 3.14Å; A102-I106 HydrophobicContact CB-CB 3.94Å; A102-I106 HydrophobicContact CB-CG1 3.87Å; I106-V118 HydrophobicContact CG2-CG1 3.53Å; I106-H119 VanDerWaalsContact CA-O 3.31Å; I106-H119 WeakPolarHBondContact CA-O 3.29Å; I106-D120 HydrophobicContact CD1-CB 3.92Å; I106-I127 HydrophobicContact CD1-CD1 4.05Å
107L98.3Very high97.2Very high0 Ų027.7 Ų27.70%015%0.15CC..EExtended strand (participates in β ladder)trans-108.6144.1168.1-79.4-175.4000110.7A63 V73 V96 K97 F98 V118 H119 L121A63-L107 HydrophobicContact CB-CD1 4.02Å; A63-L107 HydrophobicContact CB-CD2 4.04Å; V73-L107 HydrophobicContact CG2-CD1 4.01Å; V96-L107 HydrophobicContact CG2-CD1 4.2Å; V96-L107 HydrophobicContact CG2-CD2 4.01Å; K97-L107 CarbonylContact O-C 3.12Å; K97-L107 WeakPolarHBondContact O-CA 3.46Å; F98-L107 HydrophobicContact CB-CD2 4.35Å; F98-L107 HydrophobicContact CD1-CD2 3.42Å; F98-L107 VanDerWaalsContact CD1-CD2 3.42Å; F98-L107 HydrophobicContact CD1-CG 4.21Å; F98-L107 HydrophobicContact CD2-CD2 3.93Å; F98-L107 HydrophobicContact CE1-CD2 3.55Å; F98-L107 HydrophobicContact CE1-CG 4.08Å; F98-L107 HydrophobicContact CE2-CD2 4.04Å; F98-L107 HydrophobicContact CG-CD2 3.63Å; F98-L107 HydrophobicContact CZ-CD2 3.86Å; L107-V118 CarbonylContact O-C 3.58Å; L107-V118 WeakPolarHBondContact O-CA 3.21Å; L107-H119 HydrophobicContact CB-CB 4.49Å; L107-H119 PolarHBondContact N-O 3.2Å; L107-H119 PolarHBondContact O-CD2 3.11Å; L107-H119 PolarHBondContact O-N 3.07Å; L107-L121 HydrophobicContact CB-CD2 4.38Å; L107-L121 HydrophobicContact CD1-CD1 3.9Å; L107-L121 HydrophobicContact CD1-CD2 3.77Å; L107-L121 HydrophobicContact CD1-CG 4.31Å; L107-L121 HydrophobicContact CG-CD1 3.79Å; L107-L121 HydrophobicContact CG-CD2 4.09Å; L107-L121 HydrophobicContact CG-CG 4.18Å
108I98.7Very high97.2Very high0 Ų026 Ų260%014%0.143CC..EExtended strand (participates in β ladder)trans-117.8132.7173.9-56.5158.6000107.9V96 K97 L99 V116 H117 V118 I140 T142 F150V96-I108 CarbonylContact C-O 3.56Å; V96-I108 WeakPolarHBondContact CA-O 3.36Å; K97-I108 PolarHBondContact N-O 2.84Å; K97-I108 PolarHBondContact O-N 2.85Å; L99-I108 HydrophobicContact CB-CD1 4.22Å; L99-I108 HydrophobicContact CD1-CD1 3.96Å; I108-V116 HydrophobicContact CG2-CG1 3.75Å; I108-H117 CarbonylContact C-O 3.53Å; I108-H117 VanDerWaalsContact CA-O 3.3Å; I108-H117 WeakPolarHBondContact CA-O 3.3Å; I108-V118 HydrophobicContact CG1-CG1 4.36Å; I108-V118 HydrophobicContact CG1-CG2 4.3Å; I108-I140 HydrophobicContact CB-CG2 4.23Å; I108-I140 HydrophobicContact CG2-CD1 4.36Å; I108-I140 HydrophobicContact CG2-CG1 4.2Å; I108-I140 HydrophobicContact CG2-CG2 3.78Å; I108-T142 HydrophobicContact CD1-CG2 4Å; I108-F150 HydrophobicContact CD1-CB 3.98Å; I108-F150 HydrophobicContact CD1-CD1 3.5Å; I108-F150 VanDerWaalsContact CD1-CD1 3.5Å; I108-F150 HydrophobicContact CD1-CD2 4.12Å; I108-F150 HydrophobicContact CD1-CE1 3.92Å; I108-F150 HydrophobicContact CD1-CG 3.6Å; I108-F150 HydrophobicContact CD1-CZ 4.41Å; I108-F150 HydrophobicContact CG1-CD1 4.44Å; I108-F150 HydrophobicContact CG1-CE1 4.4Å; I108-F150 HydrophobicContact CG2-CD2 4.09Å; I108-F150 HydrophobicContact CG2-CE2 3.8Å; I108-F150 HydrophobicContact CG2-CZ 4.08Å
109T98.8Very high97.2Very high0 Ų025.5 Ų25.50%014%0.141CC..EExtended strand (participates in β ladder)trans-123.3142.7176.2580000111.9T71 T87 H89 I93 S95 V96 V116 H117 H119T71-T109 HydrophobicContact CG2-CG2 3.52Å; T87-T109 HydrophobicContact CG2-CG2 4.39Å; H89-T109 PolarHBondContact CD2-OG1 3.47Å; H89-T109 PolarHBondContact NE2-OG1 2.76Å; I93-T109 HydrophobicContact CG2-CG2 4.3Å; S95-T109 CarbonylContact O-C 3.51Å; S95-T109 VanDerWaalsContact O-CA 3.24Å; S95-T109 WeakPolarHBondContact O-CA 3.17Å; V96-T109 HydrophobicContact CB-CG2 4.47Å; V96-T109 HydrophobicContact CG2-CG2 4.2Å; T109-V116 CarbonylContact O-C 3.55Å; T109-V116 VanDerWaalsContact O-CA 3.29Å; T109-V116 WeakPolarHBondContact O-CA 3.49Å; T109-V116 WeakPolarHBondContact O-CG1 3.23Å; T109-H117 PolarHBondContact N-O 3.07Å; T109-H117 PolarHBondContact O-N 3.49Å; T109-H119 PolarHBondContact OG1-NE2 3.28Å
110G98.7Very high97.2Very high0 Ų026.5 Ų26.50%015%0.146CC..EExtended strand (participates in β ladder)trans-124139.5169.700000110.3F94 S95F94-G110 PolarHBondContact N-O 2.65Å; S95-G110 PolarHBondContact N-O 2.8Å; S95-G110 PolarHBondContact O-N 3.06Å
111A98.7Very high97.3Very high0 Ų027.2 Ų27.20%015%0.149CC..EExtended strand (participates in β ladder)trans-140.2171.7-169.700000114.3H89 N92 I93 D113 S114 K115 V137H89-A111 HydrophobicContact CB-CB 4.13Å; H89-A111 WeakPolarHBondContact ND1-CB 3.28Å; N92-A111 CarbonylContact O-C 3.17Å; N92-A111 VanDerWaalsContact O-CA 3.24Å; N92-A111 WeakPolarHBondContact O-CA 3.33Å; N92-A111 VanDerWaalsContact O-CB 3.27Å; N92-A111 WeakPolarHBondContact O-CB 3.08Å; I93-A111 HydrophobicContact CG1-CB 4.48Å; A111-D113 WeakPolarHBondContact CB-OD1 3.46Å; A111-D113 PolarHBondContact O-N 3.01Å; A111-S114 PolarHBondContact O-N 3.12Å; A111-K115 PolarHBondContact N-O 3.45Å; A111-V137 PolarHBondContact O-N 2.9Å
112A98.5Very high97.5Very high23 Ų2326.3 Ų26.319%0.1915%0.153CC..THydrogen-bonded Turntrans-67-10.6176.800000114.2A91 N92 F94 S114 R136A91-A112 HydrophobicContact CB-CB 3.74Å; N92-A112 HydrophobicContact CB-CB 4.29Å; N92-A112 PolarHBondContact O-N 3.49Å; F94-A112 HydrophobicContact CD2-CB 4.23Å; F94-A112 HydrophobicContact CE2-CB 3.46Å; F94-A112 VanDerWaalsContact CE2-CB 3.46Å; F94-A112 HydrophobicContact CZ-CB 3.91Å; A112-S114 PolarHBondContact O-N 3.12Å; A112-R136 HydrophobicContact CB-CG 4.08Å; A112-R136 WeakPolarHBondContact O-CG 3.33Å
113D98.4Very high97.6Very high24 Ų2429.9 Ų29.913%0.12817%0.173CC..THydrogen-bonded Turntrans-84.213.1175.868.6-4.1000113.2H89 T90 A91 A111 K115H89-D113 VanDerWaalsContact CA-OD2 3.23Å; H89-D113 WeakPolarHBondContact CA-OD2 3.47Å; H89-D113 IonicContact CE1-OD1 2.78Å; H89-D113 IonicContact CG-OD2 3.84Å; H89-D113 IonicContact ND1-OD1 3.45Å; H89-D113 PolarHBondContact ND1-OD1 3.13Å; H89-D113 IonicContact ND1-OD2 3.65Å; H89-D113 PolarHBondContact ND1-OD2 3.29Å; T90-D113 PolarHBondContact N-OD2 3.45Å; T90-D113 WeakPolarHBondContact OG1-CB 3.49Å; A91-D113 HydrophobicContact CB-CB 4.02Å; A111-D113 WeakPolarHBondContact CB-OD1 3.46Å; A111-D113 PolarHBondContact O-N 3.01Å; D113-K115 PolarHBondContact O-N 3.45Å; D113-K115 WeakPolarHBondContact OD1-CB 3.26Å; D113-K115 PolarHBondContact OD1-N 3.32Å; D113-K115 VanDerWaalsContact OD1-N 3.12Å
114S98.5Very high97.8Very high26 Ų2632.9 Ų32.918%0.18217%0.169CC..SBendtrans65.418.5-179.2-46.40000114.3A111 A112 H133 N135A111-S114 PolarHBondContact O-N 3.12Å; A112-S114 PolarHBondContact O-N 3.12Å; S114-H133 WeakPolarHBondContact CB-O 3.48Å; S114-H133 WeakPolarHBondContact O-CB 3.12Å; S114-N135 WeakPolarHBondContact CA-O 3.39Å; S114-N135 VanDerWaalsContact CB-O 3.29Å; S114-N135 WeakPolarHBondContact CB-O 3.47Å; S114-N135 VanDerWaalsContact OG-CA 3.25Å; S114-N135 WeakPolarHBondContact OG-CA 3.3Å; S114-N135 PolarHBondContact OG-N 3.32Å; S114-N135 PolarHBondContact OG-O 3.11Å
115K98.4Very high97.8Very high63 Ų6337.3 Ų37.327%0.27419%0.188SC..  trans-112.1156.5-178.8-59.4175.6-164.6157.30112.6H89 A111 D113 M129 F130H89-K115 PolarHBondContact CE1-O 3.13Å; A111-K115 PolarHBondContact N-O 3.45Å; D113-K115 PolarHBondContact O-N 3.45Å; D113-K115 WeakPolarHBondContact OD1-CB 3.26Å; D113-K115 PolarHBondContact OD1-N 3.32Å; D113-K115 VanDerWaalsContact OD1-N 3.12Å; K115-M129 HydrophobicContact CD-CG 4.26Å; K115-M129 HydrophobicContact CD-SD 4.13Å; K115-F130 VanDerWaalsContact CA-O 3.3Å; K115-F130 WeakPolarHBondContact CA-O 3.32Å
116V98.6Very high97.8Very high0 Ų033.4 Ų33.40%018%0.179CC..EExtended strand (participates in β ladder)trans-116.3132.2165-176.50000108.6I108 T109 F130 V137 I140 F150 Y162I108-V116 HydrophobicContact CG2-CG1 3.75Å; T109-V116 CarbonylContact O-C 3.55Å; T109-V116 VanDerWaalsContact O-CA 3.29Å; T109-V116 WeakPolarHBondContact O-CA 3.49Å; T109-V116 WeakPolarHBondContact O-CG1 3.23Å; V116-F130 HydrophobicContact CB-CB 4.39Å; V116-F130 PolarHBondContact N-O 3.3Å; V116-F130 PolarHBondContact O-N 3.03Å; V116-V137 HydrophobicContact CG2-CG1 4.01Å; V116-V137 HydrophobicContact CG2-CG2 4.03Å; V116-I140 HydrophobicContact CG1-CD1 3.9Å; V116-I140 HydrophobicContact CG2-CD1 4Å; V116-F150 HydrophobicContact CG1-CE2 3.78Å; V116-F150 HydrophobicContact CG1-CZ 4.2Å; V116-Y162 HydrophobicContact CB-CE1 4.3Å; V116-Y162 HydrophobicContact CG2-CE1 4.47Å; V116-Y162 WeakPolarHBondContact CG2-OH 3.43Å
117H98.3Very high97.7Very high6 Ų636.5 Ų36.53%0.02820%0.195CC..EExtended strand (participates in β ladder)trans-120.3146178.8-69.52.4000110.7T87 H89 I108 T109 H119 T126 H128 M129T87-H117 PolarHBondContact O-CD2 3.47Å; H89-H117 AromaticContact CD2-CD2 3.67Å; H89-H117 AromaticContact CE1-CD2 3.5Å; H89-H117 PolarHBondContact CE1-CD2 3.01Å; H89-H117 VanDerWaalsContact CE1-CD2 3.5Å; H89-H117 AromaticContact CE1-CE1 3.76Å; H89-H117 AromaticContact CE1-CG 3.54Å; H89-H117 AromaticContact CE1-ND1 3.7Å; H89-H117 AromaticContact CE1-NE2 3.7Å; H89-H117 AromaticContact CG-CD2 3.75Å; H89-H117 AromaticContact CG-NE2 3.9Å; H89-H117 AromaticContact ND1-CD2 3.65Å; H89-H117 AromaticContact ND1-CE1 3.85Å; H89-H117 AromaticContact ND1-NE2 3.52Å; H89-H117 AromaticContact NE2-CD2 3.52Å; H89-H117 AromaticContact NE2-CG 3.56Å; I108-H117 CarbonylContact C-O 3.53Å; I108-H117 VanDerWaalsContact CA-O 3.3Å; I108-H117 WeakPolarHBondContact CA-O 3.3Å; T109-H117 PolarHBondContact N-O 3.07Å; T109-H117 PolarHBondContact O-N 3.49Å; H117-H119 VanDerWaalsContact CB-CE1 3.46Å; H117-H119 WeakPolarHBondContact CB-CE1 3.47Å; H117-H119 WeakPolarHBondContact CB-NE2 3.3Å; H117-T126 HydrophobicContact CB-CG2 3.84Å; H117-H128 WeakPolarHBondContact CA-O 3.38Å; H117-M129 WeakPolarHBondContact CE1-CG 3.23Å; H117-M129 WeakPolarHBondContact ND1-CG 2.99Å
118V98Very high97.5Very high0 Ų038.9 Ų38.90%021%0.206CC..EExtended strand (participates in β ladder)trans-122.2125.8175.4-173.50000107.3I106 L107 I108 T126 I127 H128 F130 F150 L164I106-V118 HydrophobicContact CG2-CG1 3.53Å; L107-V118 CarbonylContact O-C 3.58Å; L107-V118 WeakPolarHBondContact O-CA 3.21Å; I108-V118 HydrophobicContact CG1-CG1 4.36Å; I108-V118 HydrophobicContact CG1-CG2 4.3Å; V118-T126 CarbonylContact O-C 3.53Å; V118-I127 HydrophobicContact CB-CG1 4.31Å; V118-I127 HydrophobicContact CG1-CD1 4.14Å; V118-I127 HydrophobicContact CG1-CG1 4.13Å; V118-I127 WeakPolarHBondContact O-CG1 3.33Å; V118-I127 PolarHBondContact O-N 3.1Å; V118-H128 HydrophobicContact CB-CB 3.99Å; V118-H128 HydrophobicContact CG2-CB 4.08Å; V118-H128 PolarHBondContact N-O 3Å; V118-H128 PolarHBondContact O-N 3.04Å; V118-F130 HydrophobicContact CG2-CE2 3.91Å; V118-F150 HydrophobicContact CG2-CE1 4.13Å; V118-F150 HydrophobicContact CG2-CZ 3.96Å; V118-L164 HydrophobicContact CG1-CD1 4.23Å; V118-L164 HydrophobicContact CG1-CD2 4.49Å; V118-L164 HydrophobicContact CG2-CD2 4.15Å
119H98.1Very high97.4Very high0 Ų043.1 Ų43.10%023%0.227CC..EExtended strand (participates in β ladder)trans-118.5139.6-171.7-47-80.2000110.2M85 T87 I106 L107 T109 H117 E125 T126M85-H119 HydrophobicContact CE-CB 3.54Å; M85-H119 HydrophobicContact SD-CB 4.49Å; T87-H119 PolarHBondContact O-CE1 2.96Å; I106-H119 VanDerWaalsContact CA-O 3.31Å; I106-H119 WeakPolarHBondContact CA-O 3.29Å; L107-H119 HydrophobicContact CB-CB 4.49Å; L107-H119 PolarHBondContact N-O 3.2Å; L107-H119 PolarHBondContact O-CD2 3.11Å; L107-H119 PolarHBondContact O-N 3.07Å; T109-H119 PolarHBondContact OG1-NE2 3.28Å; H117-H119 VanDerWaalsContact CB-CE1 3.46Å; H117-H119 WeakPolarHBondContact CB-CE1 3.47Å; H117-H119 WeakPolarHBondContact CB-NE2 3.3Å; H119-E125 WeakPolarHBondContact CA-O 3.25Å; H119-T126 PolarHBondContact CE1-OG1 3.14Å; H119-T126 PolarHBondContact ND1-OG1 3.02Å; H119-T126 VanDerWaalsContact ND1-OG1 3.08Å
120D97.5Very high97.3Very high30 Ų3043.5 Ų43.516%0.1623%0.228CC..EExtended strand (participates in β ladder)trans-101.6113.2166.3-173.9-36.1000109.1R105 I106 T122 V123 K124 E125 I127R105-D120 WeakPolarHBondContact O-CA 3.37Å; I106-D120 HydrophobicContact CD1-CB 3.92Å; D120-T122 PolarHBondContact O-N 2.97Å; D120-T122 WeakPolarHBondContact OD1-CA 3.34Å; D120-T122 WeakPolarHBondContact OD1-CB 3.41Å; D120-T122 PolarHBondContact OD1-N 3.03Å; D120-T122 PolarHBondContact OD1-OG1 2.77Å; D120-V123 HydrophobicContact CB-CG2 3.66Å; D120-V123 PolarHBondContact O-N 2.96Å; D120-K124 VanDerWaalsContact O-CA 3.3Å; D120-K124 WeakPolarHBondContact O-CA 3.27Å; D120-K124 PolarHBondContact O-N 3.33Å; D120-E125 PolarHBondContact N-O 3.38Å; D120-E125 PolarHBondContact O-N 2.99Å; D120-I127 HydrophobicContact CB-CD1 4.44Å; D120-I127 HydrophobicContact CB-CG2 4Å
121L97.4Very high97.1Very high23 Ų2345.7 Ų45.712%0.1225%0.251CS..THydrogen-bonded Turntrans-71.5-17.5-176.6-58.4179.7000113.6V73 L83 M85 F98 R105 L107V73-L121 HydrophobicContact CG2-CD1 3.84Å; V73-L121 HydrophobicContact CG2-CD2 4.31Å; L83-L121 HydrophobicContact CD2-CB 4.05Å; L83-L121 HydrophobicContact CD2-CD2 3.79Å; L83-L121 HydrophobicContact CD2-CG 4.44Å; M85-L121 HydrophobicContact CE-CD2 3.76Å; F98-L121 HydrophobicContact CE1-CD1 4.15Å; R105-L121 WeakPolarHBondContact O-CB 3.49Å; R105-L121 WeakPolarHBondContact O-CG 3.31Å; R105-L121 PolarHBondContact O-N 3.38Å; L107-L121 HydrophobicContact CB-CD2 4.38Å; L107-L121 HydrophobicContact CD1-CD1 3.9Å; L107-L121 HydrophobicContact CD1-CD2 3.77Å; L107-L121 HydrophobicContact CD1-CG 4.31Å; L107-L121 HydrophobicContact CG-CD1 3.79Å; L107-L121 HydrophobicContact CG-CD2 4.09Å; L107-L121 HydrophobicContact CG-CG 4.18Å
122T96.2Very high97Very high106 Ų10647.3 Ų47.365%0.6526%0.26SS*.THydrogen-bonded Turntrans-72.5-47.5177.4-40.10000110.1D120D120-T122 PolarHBondContact O-N 2.97Å; D120-T122 WeakPolarHBondContact OD1-CA 3.34Å; D120-T122 WeakPolarHBondContact OD1-CB 3.41Å; D120-T122 PolarHBondContact OD1-N 3.03Å; D120-T122 PolarHBondContact OD1-OG1 2.77Å
123V96.3Very high96.9Very high84 Ų8446.6 Ų46.651%0.50925%0.253SS..THydrogen-bonded Turntrans-90.6-14.1178.4-63.70000112.9D120 E125D120-V123 HydrophobicContact CB-CG2 3.66Å; D120-V123 PolarHBondContact O-N 2.96Å; V123-E125 HydrophobicContact CG2-CB 4.11Å; V123-E125 HydrophobicContact CG2-CG 4.4Å
124K96.2Very high96.9Very high127 Ų12748.8 Ų48.855%0.55227%0.267SS*.THydrogen-bonded Turntrans62.342.7-179.8-50.5176.2-177.7-169.70112.7L83 M85 D120L83-K124 HydrophobicContact CD1-CD 3.55Å; L83-K124 HydrophobicContact CD1-CG 3.88Å; L83-K124 HydrophobicContact CD2-CG 4.31Å; M85-K124 VanDerWaalsContact SD-C 3.56Å; M85-K124 HydrophobicContact SD-CB 4.22Å; D120-K124 VanDerWaalsContact O-CA 3.3Å; D120-K124 WeakPolarHBondContact O-CA 3.27Å; D120-K124 PolarHBondContact O-N 3.33Å
125E96.2Very high96.8Very high127 Ų12750.2 Ų50.259%0.59327%0.272SS*.EExtended strand (participates in β ladder)trans-130.7148.3-178.5-65-171.7162.500111.8H119 D120 V123 I127H119-E125 WeakPolarHBondContact CA-O 3.25Å; D120-E125 PolarHBondContact N-O 3.38Å; D120-E125 PolarHBondContact O-N 2.99Å; V123-E125 HydrophobicContact CG2-CB 4.11Å; V123-E125 HydrophobicContact CG2-CG 4.4Å; E125-I127 PolarHBondContact O-N 3.35Å
126T96.8Very high96.8Very high52 Ų5250.1 Ų50.132%0.31927%0.27SS..EExtended strand (participates in β ladder)trans-76.1106.3166.8-50.40000109.3T87 H117 V118 H119 H128T87-T126 PolarHBondContact O-OG1 3.18Å; H117-T126 HydrophobicContact CB-CG2 3.84Å; V118-T126 CarbonylContact O-C 3.53Å; H119-T126 PolarHBondContact CE1-OG1 3.14Å; H119-T126 PolarHBondContact ND1-OG1 3.02Å; H119-T126 VanDerWaalsContact ND1-OG1 3.08Å; T126-H128 WeakPolarHBondContact CG2-O 3.3Å
127I94.9Very high96.8Very high75 Ų7550.1 Ų50.139%0.38527%0.27SS..EExtended strand (participates in β ladder)trans-86.4-27.9-176.355.5162.5000113.2I106 V118 D120 E125I106-I127 HydrophobicContact CD1-CD1 4.05Å; V118-I127 HydrophobicContact CB-CG1 4.31Å; V118-I127 HydrophobicContact CG1-CD1 4.14Å; V118-I127 HydrophobicContact CG1-CG1 4.13Å; V118-I127 WeakPolarHBondContact O-CG1 3.33Å; V118-I127 PolarHBondContact O-N 3.1Å; D120-I127 HydrophobicContact CB-CD1 4.44Å; D120-I127 HydrophobicContact CB-CG2 4Å; E125-I127 PolarHBondContact O-N 3.35Å
128H95.4Very high96.9Very high50 Ų5049.8 Ų49.823%0.23127%0.269CS..EExtended strand (participates in β ladder)trans-133.9142.8171.8-61.4-92.9000111.6H117 V118 T126 F130H117-H128 WeakPolarHBondContact CA-O 3.38Å; V118-H128 HydrophobicContact CB-CB 3.99Å; V118-H128 HydrophobicContact CG2-CB 4.08Å; V118-H128 PolarHBondContact N-O 3Å; V118-H128 PolarHBondContact O-N 3.04Å; T126-H128 WeakPolarHBondContact CG2-O 3.3Å; H128-F130 HydrophobicContact CB-CD2 4.35Å; H128-F130 HydrophobicContact CB-CE2 3.62Å; H128-F130 HydrophobicContact CB-CZ 3.94Å
129M95.6Very high96.9Very high89 Ų8950.3 Ų50.344%0.43827%0.271SS..EExtended strand (participates in β ladder)trans-131120.8171.7176.8-82.2-5600108.6K115 H117K115-M129 HydrophobicContact CD-CG 4.26Å; K115-M129 HydrophobicContact CD-SD 4.13Å; H117-M129 WeakPolarHBondContact CE1-CG 3.23Å; H117-M129 WeakPolarHBondContact ND1-CG 2.99Å
130F96.8Very high96.9Very high8 Ų850.3 Ų50.34%0.03527%0.271CS..EExtended strand (participates in β ladder)trans-112.6123.5176.9-56.1-85.4000109.4K115 V116 V118 H128 F150 Y162 L164K115-F130 VanDerWaalsContact CA-O 3.3Å; K115-F130 WeakPolarHBondContact CA-O 3.32Å; V116-F130 HydrophobicContact CB-CB 4.39Å; V116-F130 PolarHBondContact N-O 3.3Å; V116-F130 PolarHBondContact O-N 3.03Å; V118-F130 HydrophobicContact CG2-CE2 3.91Å; H128-F130 HydrophobicContact CB-CD2 4.35Å; H128-F130 HydrophobicContact CB-CE2 3.62Å; H128-F130 HydrophobicContact CB-CZ 3.94Å; F130-F150 HydrophobicContact CE2-CZ 4.26Å; F130-Y162 HydrophobicContact CB-CD1 4.26Å; F130-Y162 HydrophobicContact CB-CE1 3.6Å; F130-Y162 AromaticContact CD1-CD1 3.84Å; F130-Y162 HydrophobicContact CD1-CD1 3.84Å; F130-Y162 AromaticContact CD1-CE1 3.98Å; F130-Y162 HydrophobicContact CD1-CE1 3.98Å; F130-Y162 AromaticContact CD2-CD1 3.67Å; F130-Y162 HydrophobicContact CD2-CD1 3.67Å; F130-Y162 AromaticContact CD2-CE1 3.79Å; F130-Y162 HydrophobicContact CD2-CE1 3.79Å; F130-Y162 HydrophobicContact CE1-CD1 4.03Å; F130-Y162 AromaticContact CE2-CD1 3.86Å; F130-Y162 HydrophobicContact CE2-CD1 3.86Å; F130-Y162 HydrophobicContact CE2-CE1 4.45Å; F130-Y162 AromaticContact CG-CD1 3.66Å; F130-Y162 HydrophobicContact CG-CD1 3.66Å; F130-Y162 AromaticContact CG-CE1 3.53Å; F130-Y162 HydrophobicContact CG-CE1 3.53Å; F130-Y162 HydrophobicContact CZ-CD1 4.04Å; F130-L164 HydrophobicContact CE2-CD2 4.48Å; F130-L164 HydrophobicContact CZ-CD2 4.35Å
131G95.5Very high97Very high46 Ų4649.1 Ų49.147%0.47427%0.265SS..  trans-119.229.5-179.500000113.2
132D95.1Very high96.9Very high35 Ų3549.2 Ų49.219%0.18727%0.267CS..  trans-80.5-17.3-176.4-51.4-69.5000113.6R160 H170 S171D132-R160 PolarHBondContact O-NH2 3.09Å; D132-H170 IonicContact OD1-CE1 3.2Å; D132-H170 IonicContact OD1-CG 3.25Å; D132-H170 IonicContact OD1-ND1 3.79Å; D132-H170 PolarHBondContact OD1-ND1 2.83Å; D132-H170 WeakPolarHBondContact OD2-CA 3.45Å; D132-S171 WeakPolarHBondContact CB-OG 3.26Å; D132-S171 PolarHBondContact OD2-N 2.89Å; D132-S171 PolarHBondContact OD2-OG 3.09Å
133H97.4Very high96.8Very high8 Ų844.3 Ų44.34%0.03724%0.237CC..  trans-75.4145.2172.2-83.5-62.8000110.2S114 V137 S152 A154 D156 R160S114-H133 WeakPolarHBondContact CB-O 3.48Å; S114-H133 WeakPolarHBondContact O-CB 3.12Å; H133-V137 HydrophobicContact CB-CG2 4.13Å; H133-S152 PolarHBondContact NE2-OG 2.92Å; H133-A154 HydrophobicContact CB-CB 4.34Å; H133-A154 WeakPolarHBondContact CE1-CB 3.24Å; H133-A154 VanDerWaalsContact ND1-CB 3.31Å; H133-A154 WeakPolarHBondContact ND1-CB 3.34Å; H133-D156 VanDerWaalsContact CA-OD2 3.23Å; H133-D156 WeakPolarHBondContact CA-OD2 3.45Å; H133-D156 WeakPolarHBondContact CB-OD2 3.43Å; H133-D156 IonicContact CE1-OD1 2.76Å; H133-D156 IonicContact CE1-OD2 2.65Å; H133-D156 IonicContact CG-OD2 2.66Å; H133-D156 VanDerWaalsContact ND1-CG 3.33Å; H133-D156 IonicContact ND1-OD1 3.65Å; H133-D156 PolarHBondContact ND1-OD1 3.48Å; H133-D156 VanDerWaalsContact ND1-OD1 3.14Å; H133-D156 IonicContact ND1-OD2 2.8Å; H133-D156 PolarHBondContact ND1-OD2 3.22Å; H133-R160 VanDerWaalsContact CE1-CD 3.45Å; H133-R160 WeakPolarHBondContact CE1-CD 3.29Å; H133-R160 WeakPolarHBondContact NE2-CD 3.44Å
134T97.2Very high96.4Very high70 Ų7043.2 Ų43.243%0.42923%0.231SC..SBendtrans-104.3-1.8-179.557.60000113.3D156T134-D156 PolarHBondContact N-OD2 2.84Å; T134-D156 VanDerWaalsContact OG1-CB 3.31Å; T134-D156 WeakPolarHBondContact OG1-CB 3.34Å
135N98.2Very high96.2Very high55 Ų5543.7 Ų43.729%0.29424%0.237SC..SBendtrans-146.1174.6176.8-155.6-6.4000110.3S114 V137 E155 D156S114-N135 WeakPolarHBondContact CA-O 3.39Å; S114-N135 VanDerWaalsContact CB-O 3.29Å; S114-N135 WeakPolarHBondContact CB-O 3.47Å; S114-N135 VanDerWaalsContact OG-CA 3.25Å; S114-N135 WeakPolarHBondContact OG-CA 3.3Å; S114-N135 PolarHBondContact OG-N 3.32Å; S114-N135 PolarHBondContact OG-O 3.11Å; N135-V137 PolarHBondContact O-N 3.47Å; N135-E155 HydrophobicContact CB-CB 3.96Å; N135-E155 VanDerWaalsContact ND2-CB 3.34Å; N135-E155 WeakPolarHBondContact ND2-CB 3.35Å; N135-E155 PolarHBondContact ND2-O 2.8Å; N135-E155 PolarHBondContact OD1-OE2 2.98Å; N135-D156 HydrophobicContact CB-CB 3.93Å
136R98.4Very high95.9Very high61 Ų6141.3 Ų41.323%0.2322%0.223CC..  trans-51.4128.7-172.1-58.1-174.7-67.8-1661.7112F94 A112 K138 A154 E155 S677F94-R136 HydrophobicContact CE2-CB 4.3Å; A112-R136 HydrophobicContact CB-CG 4.08Å; A112-R136 WeakPolarHBondContact O-CG 3.33Å; R136-K138 PolarHBondContact O-N 2.83Å; R136-A154 VanDerWaalsContact O-CA 3.27Å; R136-A154 WeakPolarHBondContact O-CA 3.42Å; R136-A154 VanDerWaalsContact O-CB 3.3Å; R136-A154 WeakPolarHBondContact O-CB 3.19Å; R136-E155 HydrophobicContact CB-CG 4.36Å; R136-E155 IonicContact CZ-OE1 3.63Å; R136-E155 IonicContact CZ-OE2 3.26Å; R136-E155 VanDerWaalsContact CZ-OE2 3.22Å; R136-E155 VanDerWaalsContact NE-CD 3.34Å; R136-E155 IonicContact NE-OE1 2.69Å; R136-E155 PolarHBondContact NE-OE1 3.45Å; R136-E155 IonicContact NE-OE2 3.09Å; R136-E155 PolarHBondContact NE-OE2 3.41Å; R136-E155 VanDerWaalsContact NH2-CD 3.27Å; R136-E155 IonicContact NH2-OE1 2.72Å; R136-E155 PolarHBondContact NH2-OE1 3.46Å; R136-E155 IonicContact NH2-OE2 3.36Å; R136-E155 PolarHBondContact NH2-OE2 3.41Å; R136-E155 PolarHBondContact O-N 2.76Å; R136-S677 VanDerWaalsContact CZ-OXT 3.32Å; R136-S677 PolarHBondContact NH1-O 3.2Å; R136-S677 PolarHBondContact NH1-OXT 2.94Å
137V98.7Very high95.5Very high0 Ų041.1 Ų41.10%022%0.223CC..EExtended strand (participates in β ladder)trans-83.6115.3173.5-175.80000108.5A111 V116 H133 N135 I140 A154A111-V137 PolarHBondContact O-N 2.9Å; V116-V137 HydrophobicContact CG2-CG1 4.01Å; V116-V137 HydrophobicContact CG2-CG2 4.03Å; H133-V137 HydrophobicContact CB-CG2 4.13Å; N135-V137 PolarHBondContact O-N 3.47Å; V137-I140 HydrophobicContact CG1-CD1 4.05Å; V137-A154 HydrophobicContact CG2-CB 4.24Å
138K98.4Very high95.5Very high0 Ų040.6 Ų40.60%022%0.22CC..EExtended strand (participates in β ladder)trans-96.8-28.3-171.9-70.1-71.2-175.2172.80113.6F94 R136 A153 E155 K188 D539 I540 S677F94-K138 HydrophobicContact CD2-CD 3.82Å; F94-K138 HydrophobicContact CE2-CD 4.06Å; F94-K138 HydrophobicContact CG-CD 4.34Å; R136-K138 PolarHBondContact O-N 2.83Å; K138-A153 PolarHBondContact N-O 3.03Å; K138-E155 VanDerWaalsContact CE-CD 3.46Å; K138-E155 WeakPolarHBondContact CE-OE1 3.29Å; K138-E155 HydrophobicContact CG-CG 3.87Å; K138-E155 IonicContact NZ-OE1 2.76Å; K138-K188 WeakPolarHBondContact CB-O 3.47Å; K138-K188 HydrophobicContact CG-CD 4.29Å; K138-D539 WeakPolarHBondContact CE-OD2 3.39Å; K138-D539 VanDerWaalsContact NZ-CG 3.26Å; K138-D539 IonicContact NZ-OD1 3.89Å; K138-D539 PolarHBondContact NZ-OD1 3.28Å; K138-D539 IonicContact NZ-OD2 3.61Å; K138-D539 PolarHBondContact NZ-OD2 3.45Å; K138-I540 HydrophobicContact CD-CG2 4.25Å; K138-S677 PolarHBondContact NZ-OXT 2.66Å
139R98.5Very high95.4Very high10 Ų1038.3 Ų38.34%0.03821%0.21CC..EExtended strand (participates in β ladder)trans-151.2141.1-177.8-160.970.660.7175.3-0.5112.5S152 A153 C189 L190 T272 Y273 I540 E542R139-S152 CarbonylContact O-C 3.2Å; R139-S152 VanDerWaalsContact O-CA 3.31Å; R139-S152 WeakPolarHBondContact O-CA 3.23Å; R139-A153 PolarHBondContact N-O 2.82Å; R139-A153 PolarHBondContact O-N 2.9Å; R139-C189 HydrophobicContact CB-CB 4.42Å; R139-C189 HydrophobicContact CG-CB 4.38Å; R139-L190 HydrophobicContact CB-CD2 3.6Å; R139-L190 HydrophobicContact CG-CD2 3.71Å; R139-L190 WeakPolarHBondContact O-CD2 3.27Å; R139-T272 PolarHBondContact NH2-O 3.37Å; R139-Y273 VanDerWaalsContact CZ-CD2 3.47Å; R139-I540 PolarHBondContact NH2-O 2.76Å; R139-E542 IonicContact NH1-OE1 2.76Å; R139-E542 PolarHBondContact NH1-OE1 3.44Å
140I98.7Very high95.5Very high1 Ų134 Ų341%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-109.3140167.9-56.8-59.9000108.7S95 K97 I108 V116 V137 F150 W151S95-I140 PolarHBondContact OG-N 3.38Å; K97-I140 HydrophobicContact CB-CB 4.48Å; K97-I140 HydrophobicContact CB-CG2 4.05Å; K97-I140 WeakPolarHBondContact CE-O 3.49Å; K97-I140 HydrophobicContact CG-CB 3.96Å; K97-I140 HydrophobicContact CG-CG2 3.91Å; K97-I140 WeakPolarHBondContact CG-O 3.37Å; I108-I140 HydrophobicContact CB-CG2 4.23Å; I108-I140 HydrophobicContact CG2-CD1 4.36Å; I108-I140 HydrophobicContact CG2-CG1 4.2Å; I108-I140 HydrophobicContact CG2-CG2 3.78Å; V116-I140 HydrophobicContact CG1-CD1 3.9Å; V116-I140 HydrophobicContact CG2-CD1 4Å; V137-I140 HydrophobicContact CG1-CD1 4.05Å; I140-F150 HydrophobicContact CG2-CD2 4.18Å; I140-W151 CarbonylContact C-O 3.55Å; I140-W151 WeakPolarHBondContact CA-O 3.38Å
141A98.4Very high95.6Very high4 Ų433.7 Ų33.73%0.03319%0.187CC..EExtended strand (participates in β ladder)trans-126.1140171.300000110.9F150 W151 L190 V192A141-F150 WeakPolarHBondContact O-CA 3.46Å; A141-F150 WeakPolarHBondContact O-CB 3.27Å; A141-W151 PolarHBondContact N-O 2.91Å; A141-W151 PolarHBondContact O-N 3.3Å; A141-L190 HydrophobicContact CB-CD1 4.24Å; A141-L190 HydrophobicContact CB-CD2 3.95Å; A141-L190 HydrophobicContact CB-CG 3.71Å; A141-V192 HydrophobicContact CB-CG2 4.31Å
142T97.2Very high95.7Very high26 Ų2631.5 Ų31.516%0.1617%0.165CC..EExtended strand (participates in β ladder)trans-125.2164.3174.358.60000108.8K97 F98 L99 I108 F150K97-T142 HydrophobicContact CB-CG2 3.98Å; F98-T142 PolarHBondContact O-OG1 3.36Å; L99-T142 HydrophobicContact CD1-CG2 4.48Å; I108-T142 HydrophobicContact CD1-CG2 4Å; T142-F150 HydrophobicContact CG2-CB 3.94Å
143A93.7Very high95.9Very high2 Ų229.8 Ų29.82%0.01716%0.156CC..  trans-147.4139.3176.600000110.8M145 W146 W151 V192 N197A143-M145 VanDerWaalsContact C-N 3.33Å; A143-M145 PolarHBondContact O-N 2.86Å; A143-W146 HydrophobicContact CB-CB 4.44Å; A143-W146 CarbonylContact O-C 3.53Å; A143-W146 PolarHBondContact O-N 2.82Å; A143-W151 HydrophobicContact CB-CH2 4.47Å; A143-W151 HydrophobicContact CB-CZ3 4.05Å; A143-V192 HydrophobicContact CB-CB 4.11Å; A143-V192 HydrophobicContact CB-CG1 3.74Å; A143-V192 HydrophobicContact CB-CG2 4.5Å; A143-N197 HydrophobicContact CB-CB 4.27Å
144P87.8Confident96Very high61 Ų6129.4 Ų29.440%0.39615%0.154SC..THydrogen-bonded Turntrans-57.2-38.6-176.9-27.835.7000114.5H101 W146H101-P144 PolarHBondContact CD2-O 2.89Å; H101-P144 PolarHBondContact NE2-O 2.85Å; P144-W146 PolarHBondContact O-N 2.93Å
145M90.5Very high96Very high138 Ų13826.5 Ų26.568%0.6814%0.135SC*.THydrogen-bonded Turntrans-70.2-3.3178.6-62.4-178.76900113.9A143 P147 N197A143-M145 VanDerWaalsContact C-N 3.33Å; A143-M145 PolarHBondContact O-N 2.86Å; M145-P147 VanDerWaalsContact C-CD 3.45Å; M145-P147 WeakPolarHBondContact O-CD 3.36Å; M145-N197 HydrophobicContact CB-CB 4.14Å; M145-N197 WeakPolarHBondContact CB-OD1 3.39Å; M145-N197 HydrophobicContact CG-CB 4.37Å; M145-N197 WeakPolarHBondContact CG-OD1 3.18Å; M145-N197 PolarHBondContact N-OD1 3.2Å; M145-N197 HydrophobicContact SD-CB 4.12Å
146W89.8Confident96Very high76 Ų7624.7 Ų24.729%0.28813%0.126SC..  trans-125.962.9-174.9-68.1100.4000111.3A143 P144 N148 T149 W151 N197A143-W146 HydrophobicContact CB-CB 4.44Å; A143-W146 CarbonylContact O-C 3.53Å; A143-W146 PolarHBondContact O-N 2.82Å; P144-W146 PolarHBondContact O-N 2.93Å; W146-N148 PolarHBondContact O-N 2.87Å; W146-T149 HydrophobicContact CE3-CG2 4.23Å; W146-T149 PolarHBondContact O-N 2.69Å; W146-W151 HydrophobicContact CB-CH2 4.02Å; W146-W151 AromaticContact CD1-CH2 3.69Å; W146-W151 HydrophobicContact CD2-CH2 4.17Å; W146-W151 HydrophobicContact CD2-CZ2 4.5Å; W146-W151 AromaticContact CG-CH2 3.7Å; W146-W151 HydrophobicContact CG-CH2 3.7Å; W146-W151 HydrophobicContact CG-CZ2 4.47Å; W146-N197 PolarHBondContact NE1-O 3.35Å
147P90Very high95.9Very high49 Ų4921.8 Ų21.832%0.31812%0.115SC..THydrogen-bonded Turntrans-62.6-19.3-169.322.9-34.7000115.6L99 H101 M145L99-P147 VanDerWaalsContact CD2-O 3.3Å; L99-P147 WeakPolarHBondContact CD2-O 3.47Å; L99-P147 WeakPolarHBondContact CG-O 3.19Å; H101-P147 HydrophobicContact CB-CB 4.1Å; M145-P147 VanDerWaalsContact C-CD 3.45Å; M145-P147 WeakPolarHBondContact O-CD 3.36Å
148N93.5Very high95.8Very high63 Ų6322 Ų2234%0.33712%0.116SC..THydrogen-bonded Turntrans-117.57.9178.8-56.5-72.3000112.2W146 D163 L164 R165W146-N148 PolarHBondContact O-N 2.87Å; N148-D163 WeakPolarHBondContact O-CA 3.3Å; N148-L164 HydrophobicContact CB-CB 4.45Å; N148-L164 PolarHBondContact O-N 3.3Å; N148-R165 HydrophobicContact CB-CG 3.77Å
149T94.8Very high95.8Very high2 Ų222 Ų221%0.01212%0.116CC..EExtended strand (participates in β ladder)trans-127.4138.7-173.2-56.30000110.3W146 W151 Q161 Y162W146-T149 HydrophobicContact CE3-CG2 4.23Å; W146-T149 PolarHBondContact O-N 2.69Å; T149-W151 HydrophobicContact CG2-CH2 4.39Å; T149-W151 HydrophobicContact CG2-CZ2 4.02Å; T149-Q161 HydrophobicContact CG2-CG 3.59Å; T149-Y162 WeakPolarHBondContact CA-O 3.26Å; T149-Y162 WeakPolarHBondContact CG2-O 3.21Å
150F97.4Very high95.7Very high0 Ų022 Ų220%012%0.116CC..EExtended strand (participates in β ladder)trans-147.7170.9176.865.9-91.4000110.1I108 V116 V118 F130 I140 A141 T142 Y162 L164I108-F150 HydrophobicContact CD1-CB 3.98Å; I108-F150 HydrophobicContact CD1-CD1 3.5Å; I108-F150 VanDerWaalsContact CD1-CD1 3.5Å; I108-F150 HydrophobicContact CD1-CD2 4.12Å; I108-F150 HydrophobicContact CD1-CE1 3.92Å; I108-F150 HydrophobicContact CD1-CG 3.6Å; I108-F150 HydrophobicContact CD1-CZ 4.41Å; I108-F150 HydrophobicContact CG1-CD1 4.44Å; I108-F150 HydrophobicContact CG1-CE1 4.4Å; I108-F150 HydrophobicContact CG2-CD2 4.09Å; I108-F150 HydrophobicContact CG2-CE2 3.8Å; I108-F150 HydrophobicContact CG2-CZ 4.08Å; V116-F150 HydrophobicContact CG1-CE2 3.78Å; V116-F150 HydrophobicContact CG1-CZ 4.2Å; V118-F150 HydrophobicContact CG2-CE1 4.13Å; V118-F150 HydrophobicContact CG2-CZ 3.96Å; F130-F150 HydrophobicContact CE2-CZ 4.26Å; I140-F150 HydrophobicContact CG2-CD2 4.18Å; A141-F150 WeakPolarHBondContact O-CA 3.46Å; A141-F150 WeakPolarHBondContact O-CB 3.27Å; T142-F150 HydrophobicContact CG2-CB 3.94Å; F150-Y162 AromaticContact CD2-CD2 3.58Å; F150-Y162 HydrophobicContact CD2-CD2 3.58Å; F150-Y162 HydrophobicContact CD2-CE2 4.32Å; F150-Y162 AromaticContact CD2-CG 3.95Å; F150-Y162 HydrophobicContact CD2-CG 3.95Å; F150-Y162 VanDerWaalsContact CE1-CB 3.43Å; F150-Y162 HydrophobicContact CE1-CG 4.03Å; F150-Y162 AromaticContact CE2-CD1 3.87Å; F150-Y162 HydrophobicContact CE2-CD1 3.87Å; F150-Y162 AromaticContact CE2-CD2 3.19Å; F150-Y162 HydrophobicContact CE2-CD2 3.19Å; F150-Y162 HydrophobicContact CE2-CE1 4.38Å; F150-Y162 AromaticContact CE2-CE2 3.83Å; F150-Y162 HydrophobicContact CE2-CE2 3.83Å; F150-Y162 AromaticContact CE2-CG 3.25Å; F150-Y162 HydrophobicContact CE2-CG 3.25Å; F150-Y162 HydrophobicContact CG-CD2 4.42Å; F150-Y162 AromaticContact CZ-CD1 3.73Å; F150-Y162 HydrophobicContact CZ-CD1 3.73Å; F150-Y162 AromaticContact CZ-CD2 3.82Å; F150-Y162 HydrophobicContact CZ-CD2 3.82Å; F150-Y162 AromaticContact CZ-CG 3.32Å; F150-Y162 HydrophobicContact CZ-CG 3.32Å; F150-Y162 PolarHBondContact N-O 2.98Å; F150-Y162 VanDerWaalsContact N-O 3.15Å; F150-Y162 PolarHBondContact O-N 3.11Å; F150-L164 HydrophobicContact CD1-CG 4.49Å; F150-L164 HydrophobicContact CE1-CD1 4.27Å; F150-L164 HydrophobicContact CE1-CD2 3.89Å; F150-L164 HydrophobicContact CE1-CG 4.02Å
151W98.3Very high95.6Very high0 Ų023.5 Ų23.50%012%0.123CC..EExtended strand (participates in β ladder)trans-130.5153.5-177.8-56.4-91.2000111.8I140 A141 A143 W146 T149 R160 Q161 L174 L190 V192 L200 I214I140-W151 CarbonylContact C-O 3.55Å; I140-W151 WeakPolarHBondContact CA-O 3.38Å; A141-W151 PolarHBondContact N-O 2.91Å; A141-W151 PolarHBondContact O-N 3.3Å; A143-W151 HydrophobicContact CB-CH2 4.47Å; A143-W151 HydrophobicContact CB-CZ3 4.05Å; W146-W151 HydrophobicContact CB-CH2 4.02Å; W146-W151 AromaticContact CD1-CH2 3.69Å; W146-W151 HydrophobicContact CD2-CH2 4.17Å; W146-W151 HydrophobicContact CD2-CZ2 4.5Å; W146-W151 AromaticContact CG-CH2 3.7Å; W146-W151 HydrophobicContact CG-CH2 3.7Å; W146-W151 HydrophobicContact CG-CZ2 4.47Å; T149-W151 HydrophobicContact CG2-CH2 4.39Å; T149-W151 HydrophobicContact CG2-CZ2 4.02Å; W151-R160 CarbonylContact C-O 3.42Å; W151-R160 WeakPolarHBondContact CA-O 3.36Å; W151-R160 WeakPolarHBondContact CB-O 3.46Å; W151-Q161 VanDerWaalsContact NE1-OE1 3.08Å; W151-L174 VanDerWaalsContact CD1-CD2 3.49Å; W151-L190 HydrophobicContact CB-CD1 3.66Å; W151-V192 HydrophobicContact CE3-CG2 3.78Å; W151-V192 HydrophobicContact CH2-CG2 4.47Å; W151-V192 HydrophobicContact CZ3-CG2 3.74Å; W151-L200 HydrophobicContact CB-CD1 4.46Å; W151-L200 HydrophobicContact CD2-CD1 4.21Å; W151-L200 HydrophobicContact CG-CD1 4.04Å; W151-I214 HydrophobicContact CZ2-CD1 4.05Å
152S98.7Very high95.5Very high0 Ų023.4 Ų23.40%012%0.122CC..EExtended strand (participates in β ladder)trans-125150.2171.860.80000111H133 R139 I159 R160 Y162H133-S152 PolarHBondContact NE2-OG 2.92Å; R139-S152 CarbonylContact O-C 3.2Å; R139-S152 VanDerWaalsContact O-CA 3.31Å; R139-S152 WeakPolarHBondContact O-CA 3.23Å; S152-I159 VanDerWaalsContact O-CA 3.24Å; S152-I159 WeakPolarHBondContact O-CA 3.04Å; S152-R160 PolarHBondContact N-O 3.18Å; S152-R160 PolarHBondContact O-N 2.68Å; S152-Y162 WeakPolarHBondContact OG-CE2 3.43Å; S152-Y162 PolarHBondContact OG-OH 3.24Å; S152-Y162 VanDerWaalsContact OG-OH 3.08Å
153A98.6Very high95.4Very high0 Ų023.5 Ų23.50%012%0.121CC..EExtended strand (participates in β ladder)trans-117.6133.7165.600000109.6K138 R139 I159 A187 L190K138-A153 PolarHBondContact N-O 3.03Å; R139-A153 PolarHBondContact N-O 2.82Å; R139-A153 PolarHBondContact O-N 2.9Å; A153-I159 HydrophobicContact CB-CD1 3.56Å; A153-A187 HydrophobicContact CB-CB 3.95Å; A153-L190 HydrophobicContact CB-CB 4.19Å; A153-L190 HydrophobicContact CB-CD1 4.24Å; A153-L190 HydrophobicContact CB-CD2 3.73Å; A153-L190 HydrophobicContact CB-CG 4.25Å
154A98.7Very high95.4Very high0 Ų025.1 Ų25.10%013%0.129CC..EExtended strand (participates in β ladder)trans-136.5163.3179.800000113.1H133 R136 V137 D156 G157 L158 A187H133-A154 HydrophobicContact CB-CB 4.34Å; H133-A154 WeakPolarHBondContact CE1-CB 3.24Å; H133-A154 VanDerWaalsContact ND1-CB 3.31Å; H133-A154 WeakPolarHBondContact ND1-CB 3.34Å; R136-A154 VanDerWaalsContact O-CA 3.27Å; R136-A154 WeakPolarHBondContact O-CA 3.42Å; R136-A154 VanDerWaalsContact O-CB 3.3Å; R136-A154 WeakPolarHBondContact O-CB 3.19Å; V137-A154 HydrophobicContact CG2-CB 4.24Å; A154-D156 WeakPolarHBondContact CB-OD1 3.49Å; A154-D156 PolarHBondContact O-N 2.81Å; A154-D156 VanDerWaalsContact O-N 3.11Å; A154-G157 PolarHBondContact O-N 3Å; A154-G157 VanDerWaalsContact O-N 3.11Å; A154-L158 PolarHBondContact N-O 2.96Å; A154-A187 CarbonylContact C-O 3.6Å; A154-A187 WeakPolarHBondContact O-CB 3.47Å; A154-A187 PolarHBondContact O-N 3.15Å; A154-A187 VanDerWaalsContact O-N 3.1Å
155E98.1Very high95.6Very high8 Ų829.8 Ų29.84%0.03714%0.139CC..THydrogen-bonded Turntrans-733.7179.6-64.4-174157.400114.4N135 R136 K138 G157 E186 K188N135-E155 HydrophobicContact CB-CB 3.96Å; N135-E155 VanDerWaalsContact ND2-CB 3.34Å; N135-E155 WeakPolarHBondContact ND2-CB 3.35Å; N135-E155 PolarHBondContact ND2-O 2.8Å; N135-E155 PolarHBondContact OD1-OE2 2.98Å; R136-E155 HydrophobicContact CB-CG 4.36Å; R136-E155 IonicContact CZ-OE1 3.63Å; R136-E155 IonicContact CZ-OE2 3.26Å; R136-E155 VanDerWaalsContact CZ-OE2 3.22Å; R136-E155 VanDerWaalsContact NE-CD 3.34Å; R136-E155 IonicContact NE-OE1 2.69Å; R136-E155 PolarHBondContact NE-OE1 3.45Å; R136-E155 IonicContact NE-OE2 3.09Å; R136-E155 PolarHBondContact NE-OE2 3.41Å; R136-E155 VanDerWaalsContact NH2-CD 3.27Å; R136-E155 IonicContact NH2-OE1 2.72Å; R136-E155 PolarHBondContact NH2-OE1 3.46Å; R136-E155 IonicContact NH2-OE2 3.36Å; R136-E155 PolarHBondContact NH2-OE2 3.41Å; R136-E155 PolarHBondContact O-N 2.76Å; K138-E155 VanDerWaalsContact CE-CD 3.46Å; K138-E155 WeakPolarHBondContact CE-OE1 3.29Å; K138-E155 HydrophobicContact CG-CG 3.87Å; K138-E155 IonicContact NZ-OE1 2.76Å; E155-G157 PolarHBondContact O-N 3.5Å; E155-E186 HydrophobicContact CB-CB 4.14Å; E155-E186 HydrophobicContact CB-CG 4.1Å; E155-E186 HydrophobicContact CG-CB 4.24Å; E155-E186 HydrophobicContact CG-CG 4.48Å; E155-K188 HydrophobicContact CG-CD 4.29Å; E155-K188 IonicContact OE1-NZ 3.02Å; E155-K188 PolarHBondContact OE1-NZ 3.03Å
156D97.3Very high95.5Very high18 Ų1826.9 Ų26.910%0.09612%0.124CC..THydrogen-bonded Turntrans-82.93.616760.87.6000111.9H133 T134 N135 A154 L158 T178H133-D156 VanDerWaalsContact CA-OD2 3.23Å; H133-D156 WeakPolarHBondContact CA-OD2 3.45Å; H133-D156 WeakPolarHBondContact CB-OD2 3.43Å; H133-D156 IonicContact CE1-OD1 2.76Å; H133-D156 IonicContact CE1-OD2 2.65Å; H133-D156 IonicContact CG-OD2 2.66Å; H133-D156 VanDerWaalsContact ND1-CG 3.33Å; H133-D156 IonicContact ND1-OD1 3.65Å; H133-D156 PolarHBondContact ND1-OD1 3.48Å; H133-D156 VanDerWaalsContact ND1-OD1 3.14Å; H133-D156 IonicContact ND1-OD2 2.8Å; H133-D156 PolarHBondContact ND1-OD2 3.22Å; T134-D156 PolarHBondContact N-OD2 2.84Å; T134-D156 VanDerWaalsContact OG1-CB 3.31Å; T134-D156 WeakPolarHBondContact OG1-CB 3.34Å; N135-D156 HydrophobicContact CB-CB 3.93Å; A154-D156 WeakPolarHBondContact CB-OD1 3.49Å; A154-D156 PolarHBondContact O-N 2.81Å; A154-D156 VanDerWaalsContact O-N 3.11Å; D156-L158 VanDerWaalsContact C-N 3.32Å; D156-L158 VanDerWaalsContact OD1-CB 3.27Å; D156-L158 WeakPolarHBondContact OD1-CB 3.19Å; D156-L158 WeakPolarHBondContact OD1-CG 3.43Å; D156-L158 PolarHBondContact OD1-N 3.05Å; D156-T178 WeakPolarHBondContact O-CG2 3.42Å
157G96.5Very high94.9Very high0 Ų031 Ų310%015%0.152CC..SBendtrans82.48.1179.600000113.6A154 E155 L177 V185A154-G157 PolarHBondContact O-N 3Å; A154-G157 VanDerWaalsContact O-N 3.11Å; E155-G157 PolarHBondContact O-N 3.5Å; G157-L177 VanDerWaalsContact O-CB 3.28Å; G157-L177 WeakPolarHBondContact O-CB 3.43Å; G157-L177 PolarHBondContact O-N 3.08Å; G157-V185 VanDerWaalsContact CA-O 3.27Å; G157-V185 WeakPolarHBondContact CA-O 3.15Å; G157-V185 PolarHBondContact N-O 3.02Å
158L97.2Very high94.2Very high3 Ų330.1 Ų30.12%0.01615%0.147CC..EExtended strand (participates in β ladder)trans-103142.7-174.6-53.6-178.3000112.7A154 D156 R160 V173 D176 K222A154-L158 PolarHBondContact N-O 2.96Å; D156-L158 VanDerWaalsContact C-N 3.32Å; D156-L158 VanDerWaalsContact OD1-CB 3.27Å; D156-L158 WeakPolarHBondContact OD1-CB 3.19Å; D156-L158 WeakPolarHBondContact OD1-CG 3.43Å; D156-L158 PolarHBondContact OD1-N 3.05Å; L158-R160 HydrophobicContact CB-CG 4.4Å; L158-V173 HydrophobicContact CD1-CG2 4.39Å; L158-V173 HydrophobicContact CD2-CG1 4.38Å; L158-D176 HydrophobicContact CD2-CB 3.67Å; L158-D176 WeakPolarHBondContact CD2-OD1 3.4Å; L158-D176 VanDerWaalsContact CD2-OD2 3.24Å; L158-D176 WeakPolarHBondContact CD2-OD2 3.27Å; L158-K222 HydrophobicContact CD1-CD 4.04Å
159I97.9Very high93.5Very high0 Ų034 Ų340%016%0.161CC..EExtended strand (participates in β ladder)trans-105.1119.3158.3-48.5-58.7000107.8S152 A153 L174 I175 A187 L190 V202S152-I159 VanDerWaalsContact O-CA 3.24Å; S152-I159 WeakPolarHBondContact O-CA 3.04Å; A153-I159 HydrophobicContact CB-CD1 3.56Å; I159-L174 HydrophobicContact CG2-CD2 4.26Å; I159-L174 PolarHBondContact O-N 3.43Å; I159-I175 HydrophobicContact CB-CB 3.93Å; I159-I175 HydrophobicContact CB-CD1 4.26Å; I159-I175 HydrophobicContact CG1-CB 3.92Å; I159-I175 HydrophobicContact CG1-CD1 4.13Å; I159-I175 HydrophobicContact CG1-CG2 4.43Å; I159-I175 PolarHBondContact N-O 3.31Å; I159-I175 PolarHBondContact O-N 3.12Å; I159-I175 VanDerWaalsContact O-N 3.14Å; I159-A187 HydrophobicContact CD1-CB 3.86Å; I159-L190 HydrophobicContact CD1-CD1 4.38Å; I159-L190 HydrophobicContact CG2-CD1 3.76Å; I159-V202 HydrophobicContact CD1-CG1 3.87Å; I159-V202 HydrophobicContact CD1-CG2 4.01Å; I159-V202 HydrophobicContact CG1-CG1 4.39Å; I159-V202 HydrophobicContact CG1-CG2 3.99Å
160R97.6Very high93.1Very high12 Ų1239 Ų395%0.04518%0.183CC..EExtended strand (participates in β ladder)trans-108.9148.3179.9-71.1177.2166.6-81.31.8111.2D132 H133 W151 S152 L158 Y162 S171 E172D132-R160 PolarHBondContact O-NH2 3.09Å; H133-R160 VanDerWaalsContact CE1-CD 3.45Å; H133-R160 WeakPolarHBondContact CE1-CD 3.29Å; H133-R160 WeakPolarHBondContact NE2-CD 3.44Å; W151-R160 CarbonylContact C-O 3.42Å; W151-R160 WeakPolarHBondContact CA-O 3.36Å; W151-R160 WeakPolarHBondContact CB-O 3.46Å; S152-R160 PolarHBondContact N-O 3.18Å; S152-R160 PolarHBondContact O-N 2.68Å; L158-R160 HydrophobicContact CB-CG 4.4Å; R160-Y162 HydrophobicContact CB-CE2 3.79Å; R160-S171 VanDerWaalsContact CD-OG 3.31Å; R160-S171 WeakPolarHBondContact CD-OG 3.13Å; R160-S171 PolarHBondContact NH1-O 3.16Å; R160-S171 PolarHBondContact NH1-OG 3.14Å; R160-E172 CarbonylContact C-O 3.51Å; R160-E172 VanDerWaalsContact CA-O 3.23Å; R160-E172 WeakPolarHBondContact CA-O 3.35Å
161Q96.4Very high92.7Very high31 Ų3139.2 Ų39.215%0.14519%0.185CC..EExtended strand (participates in β ladder)trans-111.5140.3173-176.6176.2-56.200109.8T149 W151 S171 E172 L174 N219T149-Q161 HydrophobicContact CG2-CG 3.59Å; W151-Q161 VanDerWaalsContact NE1-OE1 3.08Å; Q161-S171 WeakPolarHBondContact O-CB 3.24Å; Q161-E172 PolarHBondContact N-O 2.88Å; Q161-E172 PolarHBondContact O-N 2.92Å; Q161-L174 HydrophobicContact CB-CB 4.43Å; Q161-N219 PolarHBondContact NE2-ND2 2.98Å; Q161-N219 PolarHBondContact OE1-ND2 3.44Å
162Y96.3Very high92.5Very high2 Ų240.6 Ų40.61%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-124133.7180-56.6-103.2000108.3V116 F130 T149 F150 S152 R160V116-Y162 HydrophobicContact CB-CE1 4.3Å; V116-Y162 HydrophobicContact CG2-CE1 4.47Å; V116-Y162 WeakPolarHBondContact CG2-OH 3.43Å; F130-Y162 HydrophobicContact CB-CD1 4.26Å; F130-Y162 HydrophobicContact CB-CE1 3.6Å; F130-Y162 AromaticContact CD1-CD1 3.84Å; F130-Y162 HydrophobicContact CD1-CD1 3.84Å; F130-Y162 AromaticContact CD1-CE1 3.98Å; F130-Y162 HydrophobicContact CD1-CE1 3.98Å; F130-Y162 AromaticContact CD2-CD1 3.67Å; F130-Y162 HydrophobicContact CD2-CD1 3.67Å; F130-Y162 AromaticContact CD2-CE1 3.79Å; F130-Y162 HydrophobicContact CD2-CE1 3.79Å; F130-Y162 HydrophobicContact CE1-CD1 4.03Å; F130-Y162 AromaticContact CE2-CD1 3.86Å; F130-Y162 HydrophobicContact CE2-CD1 3.86Å; F130-Y162 HydrophobicContact CE2-CE1 4.45Å; F130-Y162 AromaticContact CG-CD1 3.66Å; F130-Y162 HydrophobicContact CG-CD1 3.66Å; F130-Y162 AromaticContact CG-CE1 3.53Å; F130-Y162 HydrophobicContact CG-CE1 3.53Å; F130-Y162 HydrophobicContact CZ-CD1 4.04Å; T149-Y162 WeakPolarHBondContact CA-O 3.26Å; T149-Y162 WeakPolarHBondContact CG2-O 3.21Å; F150-Y162 AromaticContact CD2-CD2 3.58Å; F150-Y162 HydrophobicContact CD2-CD2 3.58Å; F150-Y162 HydrophobicContact CD2-CE2 4.32Å; F150-Y162 AromaticContact CD2-CG 3.95Å; F150-Y162 HydrophobicContact CD2-CG 3.95Å; F150-Y162 VanDerWaalsContact CE1-CB 3.43Å; F150-Y162 HydrophobicContact CE1-CG 4.03Å; F150-Y162 AromaticContact CE2-CD1 3.87Å; F150-Y162 HydrophobicContact CE2-CD1 3.87Å; F150-Y162 AromaticContact CE2-CD2 3.19Å; F150-Y162 HydrophobicContact CE2-CD2 3.19Å; F150-Y162 HydrophobicContact CE2-CE1 4.38Å; F150-Y162 AromaticContact CE2-CE2 3.83Å; F150-Y162 HydrophobicContact CE2-CE2 3.83Å; F150-Y162 AromaticContact CE2-CG 3.25Å; F150-Y162 HydrophobicContact CE2-CG 3.25Å; F150-Y162 HydrophobicContact CG-CD2 4.42Å; F150-Y162 AromaticContact CZ-CD1 3.73Å; F150-Y162 HydrophobicContact CZ-CD1 3.73Å; F150-Y162 AromaticContact CZ-CD2 3.82Å; F150-Y162 HydrophobicContact CZ-CD2 3.82Å; F150-Y162 AromaticContact CZ-CG 3.32Å; F150-Y162 HydrophobicContact CZ-CG 3.32Å; F150-Y162 PolarHBondContact N-O 2.98Å; F150-Y162 VanDerWaalsContact N-O 3.15Å; F150-Y162 PolarHBondContact O-N 3.11Å; S152-Y162 WeakPolarHBondContact OG-CE2 3.43Å; S152-Y162 PolarHBondContact OG-OH 3.24Å; S152-Y162 VanDerWaalsContact OG-OH 3.08Å; R160-Y162 HydrophobicContact CB-CE2 3.79Å
163D93.7Very high92.3Very high29 Ų2940.6 Ų40.616%0.15519%0.191CC..EExtended strand (participates in β ladder)trans-121.4110.9171.9-170.5-23.8000109.2N148 R165 E166N148-D163 WeakPolarHBondContact O-CA 3.3Å; D163-R165 PolarHBondContact O-N 3.46Å; D163-R165 VanDerWaalsContact O-N 3.14Å; D163-R165 VanDerWaalsContact OD1-CB 3.25Å; D163-R165 WeakPolarHBondContact OD1-CB 3.2Å; D163-R165 WeakPolarHBondContact OD1-CG 3.48Å; D163-R165 IonicContact OD1-CZ 3.24Å; D163-R165 PolarHBondContact OD1-N 2.97Å; D163-R165 IonicContact OD1-NE 3.77Å; D163-R165 PolarHBondContact OD1-NE 3.34Å; D163-R165 IonicContact OD1-NH2 2.78Å; D163-R165 IonicContact OD2-CZ 3.45Å; D163-R165 VanDerWaalsContact OD2-CZ 3.31Å; D163-R165 IonicContact OD2-NE 3.71Å; D163-R165 PolarHBondContact OD2-NE 2.66Å; D163-R165 IonicContact OD2-NH2 2.81Å; D163-R165 PolarHBondContact OD2-NH2 2.82Å; D163-E166 HydrophobicContact CB-CG 4.1Å; D163-E166 WeakPolarHBondContact O-CB 3.49Å; D163-E166 PolarHBondContact O-N 3.02Å
164L94.3Very high92.1Very high35 Ų3540.8 Ų40.818%0.18319%0.193CC..THydrogen-bonded Turntrans-70-7.1-176.9-63.7-179.3000113.7L99 V118 F130 N148 F150 E166L99-L164 HydrophobicContact CD2-CD1 3.61Å; V118-L164 HydrophobicContact CG1-CD1 4.23Å; V118-L164 HydrophobicContact CG1-CD2 4.49Å; V118-L164 HydrophobicContact CG2-CD2 4.15Å; F130-L164 HydrophobicContact CE2-CD2 4.48Å; F130-L164 HydrophobicContact CZ-CD2 4.35Å; N148-L164 HydrophobicContact CB-CB 4.45Å; N148-L164 PolarHBondContact O-N 3.3Å; F150-L164 HydrophobicContact CD1-CG 4.49Å; F150-L164 HydrophobicContact CE1-CD1 4.27Å; F150-L164 HydrophobicContact CE1-CD2 3.89Å; F150-L164 HydrophobicContact CE1-CG 4.02Å; L164-E166 VanDerWaalsContact C-N 3.33Å
165R92.1Very high91.9Very high159 Ų15941 Ų4160%0.619%0.194SC*.THydrogen-bonded Turntrans-80.9-19.8171.3-57.1169.8-68.1-177.40.8111.6N148 D163N148-R165 HydrophobicContact CB-CG 3.77Å; D163-R165 PolarHBondContact O-N 3.46Å; D163-R165 VanDerWaalsContact O-N 3.14Å; D163-R165 VanDerWaalsContact OD1-CB 3.25Å; D163-R165 WeakPolarHBondContact OD1-CB 3.2Å; D163-R165 WeakPolarHBondContact OD1-CG 3.48Å; D163-R165 IonicContact OD1-CZ 3.24Å; D163-R165 PolarHBondContact OD1-N 2.97Å; D163-R165 IonicContact OD1-NE 3.77Å; D163-R165 PolarHBondContact OD1-NE 3.34Å; D163-R165 IonicContact OD1-NH2 2.78Å; D163-R165 IonicContact OD2-CZ 3.45Å; D163-R165 VanDerWaalsContact OD2-CZ 3.31Å; D163-R165 IonicContact OD2-NE 3.71Å; D163-R165 PolarHBondContact OD2-NE 2.66Å; D163-R165 IonicContact OD2-NH2 2.81Å; D163-R165 PolarHBondContact OD2-NH2 2.82Å
166E87.8Confident91.7Very high77 Ų7740.9 Ų40.936%0.3619%0.193SC..SBendtrans-81.4130.9176.1-64-170.6-170.500110.3D163 L164 S168 R221D163-E166 HydrophobicContact CB-CG 4.1Å; D163-E166 WeakPolarHBondContact O-CB 3.49Å; D163-E166 PolarHBondContact O-N 3.02Å; L164-E166 VanDerWaalsContact C-N 3.33Å; E166-S168 PolarHBondContact O-N 3.09Å; E166-S168 PolarHBondContact OE2-OG 3.29Å; E166-R221 IonicContact OE2-NH2 3.12Å
167N77.1Confident91.5Very high164 Ų16440 Ų4088%0.87719%0.189SC*.  trans-74.9-5.2177.4-74.2-18.2000113.2
168S75.7Confident91.3Very high30 Ų3041.6 Ų41.621%0.2120%0.198CC..  trans-73.4133.1175.643.80000110.8E166 H170E166-S168 PolarHBondContact O-N 3.09Å; E166-S168 PolarHBondContact OE2-OG 3.29Å; S168-H170 PolarHBondContact O-N 2.82Å
169K78.9Confident90.8Very high145 Ų14543.7 Ų43.763%0.6321%0.208SC*.SBendtrans-7731.2168.3-60.1-172177.8-174.10112.3
170H86Confident90.3Very high106 Ų10644.9 Ų44.949%0.49121%0.213SC..  trans-126.8146.3-176.3-67.8-61.5000109.9D132 S168D132-H170 IonicContact OD1-CE1 3.2Å; D132-H170 IonicContact OD1-CG 3.25Å; D132-H170 IonicContact OD1-ND1 3.79Å; D132-H170 PolarHBondContact OD1-ND1 2.83Å; D132-H170 WeakPolarHBondContact OD2-CA 3.45Å; S168-H170 PolarHBondContact O-N 2.82Å
171S90.6Very high89.9Confident4 Ų445.1 Ų45.13%0.02822%0.216CC..PPolyproline II helixtrans-102155.6173.354.20000111.8D132 R160 Q161D132-S171 WeakPolarHBondContact CB-OG 3.26Å; D132-S171 PolarHBondContact OD2-N 2.89Å; D132-S171 PolarHBondContact OD2-OG 3.09Å; R160-S171 VanDerWaalsContact CD-OG 3.31Å; R160-S171 WeakPolarHBondContact CD-OG 3.13Å; R160-S171 PolarHBondContact NH1-O 3.16Å; R160-S171 PolarHBondContact NH1-OG 3.14Å; Q161-S171 WeakPolarHBondContact O-CB 3.24Å
172E92.8Very high89.5Confident29 Ų2944.2 Ų44.214%0.13621%0.214CC..EExtended strand (participates in β ladder)trans-93.4144.5173.2-60.4-65.3145.500109.8R160 Q161 L174 N219 H220 R221R160-E172 CarbonylContact C-O 3.51Å; R160-E172 VanDerWaalsContact CA-O 3.23Å; R160-E172 WeakPolarHBondContact CA-O 3.35Å; Q161-E172 PolarHBondContact N-O 2.88Å; Q161-E172 PolarHBondContact O-N 2.92Å; E172-L174 PolarHBondContact O-N 3.25Å; E172-N219 HydrophobicContact CB-CB 4.01Å; E172-H220 WeakPolarHBondContact OE2-CA 3.48Å; E172-R221 VanDerWaalsContact CD-CG 3.42Å; E172-R221 WeakPolarHBondContact OE1-CD 3.45Å; E172-R221 WeakPolarHBondContact OE1-CG 3.15Å; E172-R221 IonicContact OE1-CZ 3.76Å; E172-R221 IonicContact OE1-NE 2.77Å; E172-R221 PolarHBondContact OE1-NE 3.15Å; E172-R221 IonicContact OE1-NH2 2.69Å; E172-R221 WeakPolarHBondContact OE2-CG 3.18Å; E172-R221 PolarHBondContact OE2-N 3.03Å
173V94.2Very high89.1Confident0 Ų048.3 Ų48.30%023%0.234CC..EExtended strand (participates in β ladder)trans-79.3120.5168.81780000108L158 D176 N219 H220 K222L158-V173 HydrophobicContact CD1-CG2 4.39Å; L158-V173 HydrophobicContact CD2-CG1 4.38Å; V173-D176 HydrophobicContact CG1-CB 4.06Å; V173-N219 WeakPolarHBondContact O-CA 3.36Å; V173-H220 WeakPolarHBondContact CB-O 3.48Å; V173-H220 PolarHBondContact N-O 3.36Å; V173-H220 PolarHBondContact O-N 3.15Å; V173-K222 HydrophobicContact CG2-CB 3.89Å; V173-K222 HydrophobicContact CG2-CD 4.31Å
174L94.5Very high88.9Confident5 Ų552.6 Ų52.63%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-89.4-51.2172.8170.963000109.8W151 I159 Q161 E172 L200 I214 I217 N219W151-L174 VanDerWaalsContact CD1-CD2 3.49Å; I159-L174 HydrophobicContact CG2-CD2 4.26Å; I159-L174 PolarHBondContact O-N 3.43Å; Q161-L174 HydrophobicContact CB-CB 4.43Å; E172-L174 PolarHBondContact O-N 3.25Å; L174-L200 HydrophobicContact CD2-CD1 4.02Å; L174-I214 HydrophobicContact CD1-CB 4.36Å; L174-I214 HydrophobicContact CD2-CG2 4.08Å; L174-I217 HydrophobicContact CD1-CB 4.08Å; L174-I217 HydrophobicContact CD1-CG2 3.81Å; L174-I217 WeakPolarHBondContact O-CG2 3.28Å; L174-N219 WeakPolarHBondContact CD1-OD1 3.46Å
175I94.6Very high88.9Confident5 Ų551.4 Ų51.43%0.02625%0.25CS..EExtended strand (participates in β ladder)trans-132.1128.2178.3-64.5145.6000109.1I159 L177 Y180 L200 V202 Y212 I217I159-I175 HydrophobicContact CB-CB 3.93Å; I159-I175 HydrophobicContact CB-CD1 4.26Å; I159-I175 HydrophobicContact CG1-CB 3.92Å; I159-I175 HydrophobicContact CG1-CD1 4.13Å; I159-I175 HydrophobicContact CG1-CG2 4.43Å; I159-I175 PolarHBondContact N-O 3.31Å; I159-I175 PolarHBondContact O-N 3.12Å; I159-I175 VanDerWaalsContact O-N 3.14Å; I175-L177 HydrophobicContact CG2-CD2 4.31Å; I175-L177 HydrophobicContact CG2-CG 4.3Å; I175-Y180 WeakPolarHBondContact CG2-OH 3.34Å; I175-L200 HydrophobicContact CD1-CD2 4.45Å; I175-V202 HydrophobicContact CD1-CG2 4.44Å; I175-Y212 HydrophobicContact CD1-CD1 4.3Å; I175-Y212 HydrophobicContact CD1-CD2 3.45Å; I175-Y212 VanDerWaalsContact CD1-CD2 3.45Å; I175-Y212 HydrophobicContact CD1-CE2 3.71Å; I175-Y212 HydrophobicContact CD1-CG 3.75Å; I175-Y212 HydrophobicContact CG1-CD2 4.47Å; I175-Y212 HydrophobicContact CG1-CE2 4.47Å; I175-Y212 HydrophobicContact CG2-CE2 4.46Å; I175-I217 HydrophobicContact CD1-CD1 4.31Å; I175-I217 HydrophobicContact CG1-CD1 4Å
176D93.7Very high89.1Confident5 Ų546.7 Ų46.73%0.02724%0.235CC..EExtended strand (participates in β ladder)trans-109.298.7169.1-168.7-27.1000109.2L158 V173 T178 E179 Y180 K222L158-D176 HydrophobicContact CD2-CB 3.67Å; L158-D176 WeakPolarHBondContact CD2-OD1 3.4Å; L158-D176 VanDerWaalsContact CD2-OD2 3.24Å; L158-D176 WeakPolarHBondContact CD2-OD2 3.27Å; V173-D176 HydrophobicContact CG1-CB 4.06Å; D176-T178 PolarHBondContact O-N 3.04Å; D176-T178 VanDerWaalsContact OD1-CB 3.27Å; D176-T178 WeakPolarHBondContact OD1-CB 3.48Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.46Å; D176-T178 PolarHBondContact OD1-N 2.79Å; D176-T178 PolarHBondContact OD1-OG1 3.3Å; D176-E179 HydrophobicContact CB-CG 4.01Å; D176-E179 PolarHBondContact O-N 2.98Å; D176-Y180 WeakPolarHBondContact O-CE1 3.41Å; D176-K222 IonicContact OD2-NZ 3.31Å; D176-K222 PolarHBondContact OD2-NZ 3.34Å
177L93.7Very high89.6Confident0 Ų043 Ų430%022%0.218CC..THydrogen-bonded Turntrans-64.4-26179.8-66.9164.6000111.4G157 I175 E179 Y180 C181 V185 A187 V202 A204G157-L177 VanDerWaalsContact O-CB 3.28Å; G157-L177 WeakPolarHBondContact O-CB 3.43Å; G157-L177 PolarHBondContact O-N 3.08Å; I175-L177 HydrophobicContact CG2-CD2 4.31Å; I175-L177 HydrophobicContact CG2-CG 4.3Å; L177-E179 PolarHBondContact O-N 3.32Å; L177-Y180 HydrophobicContact CD2-CE2 3.9Å; L177-Y180 WeakPolarHBondContact CD2-OH 3.18Å; L177-Y180 PolarHBondContact O-N 3.21Å; L177-C181 HydrophobicContact CB-CB 4.49Å; L177-C181 WeakPolarHBondContact O-CA 3.42Å; L177-C181 VanDerWaalsContact O-CB 3.24Å; L177-C181 WeakPolarHBondContact O-CB 3.44Å; L177-C181 PolarHBondContact O-N 2.65Å; L177-V185 HydrophobicContact CB-CB 4.46Å; L177-V185 HydrophobicContact CB-CG1 3.49Å; L177-V185 VanDerWaalsContact CB-CG1 3.49Å; L177-V185 HydrophobicContact CB-CG2 4.1Å; L177-V185 HydrophobicContact CD1-CG2 4.21Å; L177-A187 HydrophobicContact CD1-CB 3.91Å; L177-V202 HydrophobicContact CD1-CG1 4.4Å; L177-A204 HydrophobicContact CD1-CB 3.68Å
178T91.8Very high90.6Very high33 Ų3335.8 Ų35.820%0.20218%0.179CC..Hα-helixtrans-65.5-23.8-174.976.30000112.2D156 D176 Y180 G182 V185D156-T178 WeakPolarHBondContact O-CG2 3.42Å; D176-T178 PolarHBondContact O-N 3.04Å; D176-T178 VanDerWaalsContact OD1-CB 3.27Å; D176-T178 WeakPolarHBondContact OD1-CB 3.48Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.46Å; D176-T178 PolarHBondContact OD1-N 2.79Å; D176-T178 PolarHBondContact OD1-OG1 3.3Å; T178-Y180 VanDerWaalsContact C-N 3.3Å; T178-Y180 PolarHBondContact O-N 3.28Å; T178-G182 WeakPolarHBondContact CA-O 3.3Å; T178-V185 HydrophobicContact CG2-CG1 3.99Å
179E87.5Confident91.6Very high47 Ų4734.3 Ų34.322%0.2217%0.169CC..Hα-helixtrans-66.7-27.9179.1-67.6-165130.200113.7D176 L177 Q239D176-E179 HydrophobicContact CB-CG 4.01Å; D176-E179 PolarHBondContact O-N 2.98Å; L177-E179 PolarHBondContact O-N 3.32Å; E179-Q239 PolarHBondContact OE1-N 3.49Å
180Y87.1Confident92.6Very high25 Ų2527.7 Ų27.710%0.09814%0.14CC..Hα-helixtrans-133.4-18.3-173.651.4-92.2000114.9I175 D176 L177 T178 Y212 L242 S513 E516I175-Y180 WeakPolarHBondContact CG2-OH 3.34Å; D176-Y180 WeakPolarHBondContact O-CE1 3.41Å; L177-Y180 HydrophobicContact CD2-CE2 3.9Å; L177-Y180 WeakPolarHBondContact CD2-OH 3.18Å; L177-Y180 PolarHBondContact O-N 3.21Å; T178-Y180 VanDerWaalsContact C-N 3.3Å; T178-Y180 PolarHBondContact O-N 3.28Å; Y180-Y212 PolarHBondContact OH-OH 3.32Å; Y180-L242 HydrophobicContact CE1-CD1 4.1Å; Y180-L242 HydrophobicContact CE1-CG 4.47Å; Y180-L242 HydrophobicContact CE2-CD1 4.25Å; Y180-S513 WeakPolarHBondContact CB-OG 3.35Å; Y180-S513 PolarHBondContact O-N 2.84Å; Y180-S513 VanDerWaalsContact O-N 3.16Å; Y180-E516 HydrophobicContact CD2-CB 4.35Å; Y180-E516 WeakPolarHBondContact O-CB 3.48Å
181C89.3Confident93.2Very high17 Ų1724 Ų2412%0.11513%0.125CC..Hα-helixtrans-100.2-5.6176.7-68.40000114.2L177 V185 E516L177-C181 HydrophobicContact CB-CB 4.49Å; L177-C181 WeakPolarHBondContact O-CA 3.42Å; L177-C181 VanDerWaalsContact O-CB 3.24Å; L177-C181 WeakPolarHBondContact O-CB 3.44Å; L177-C181 PolarHBondContact O-N 2.65Å; C181-V185 HydrophobicContact CB-CB 3.93Å; C181-V185 HydrophobicContact CB-CG1 4.01Å; C181-V185 HydrophobicContact CB-CG2 3.84Å; C181-E516 VanDerWaalsContact SG-CD 3.54Å; C181-E516 PolarHBondContact SG-OE1 3.16Å; C181-E516 VanDerWaalsContact SG-OE1 3.32Å
182G87.4Confident93.5Very high11 Ų1124.3 Ų24.311%0.11313%0.126CC..  trans98.1160.8-177.400000113.2T178 L184 V185T178-G182 WeakPolarHBondContact CA-O 3.3Å; G182-L184 VanDerWaalsContact C-N 3.26Å; G182-L184 PolarHBondContact O-N 3.21Å; G182-V185 VanDerWaalsContact O-CG1 3.22Å; G182-V185 WeakPolarHBondContact O-CG1 3.26Å; G182-V185 PolarHBondContact O-N 3.02Å
183Q87.6Confident93.7Very high88 Ų8823.4 Ų23.441%0.41112%0.123SC..THydrogen-bonded Turntrans-71.7-15.9-166.9-64.3-171.4-18.100115.2D510Q183-D510 PolarHBondContact N-OD1 2.85Å; Q183-D510 VanDerWaalsContact N-OD1 3.14Å
184L90.2Very high93.7Very high120 Ų12026.2 Ų26.263%0.62814%0.141SC*.THydrogen-bonded Turntrans-101.511-177.7-57.4178.7000113.2G182G182-L184 VanDerWaalsContact C-N 3.26Å; G182-L184 PolarHBondContact O-N 3.21Å
185V93.9Very high93.6Very high10 Ų1032.1 Ų32.16%0.06117%0.168CC..  trans-71.9135.6176.6680000110.3G157 L177 T178 C181 G182 A204G157-V185 VanDerWaalsContact CA-O 3.27Å; G157-V185 WeakPolarHBondContact CA-O 3.15Å; G157-V185 PolarHBondContact N-O 3.02Å; L177-V185 HydrophobicContact CB-CB 4.46Å; L177-V185 HydrophobicContact CB-CG1 3.49Å; L177-V185 VanDerWaalsContact CB-CG1 3.49Å; L177-V185 HydrophobicContact CB-CG2 4.1Å; L177-V185 HydrophobicContact CD1-CG2 4.21Å; T178-V185 HydrophobicContact CG2-CG1 3.99Å; C181-V185 HydrophobicContact CB-CB 3.93Å; C181-V185 HydrophobicContact CB-CG1 4.01Å; C181-V185 HydrophobicContact CB-CG2 3.84Å; G182-V185 VanDerWaalsContact O-CG1 3.22Å; G182-V185 WeakPolarHBondContact O-CG1 3.26Å; G182-V185 PolarHBondContact O-N 3.02Å; V185-A204 HydrophobicContact CG2-CB 4.34Å
186E96.6Very high93.6Very high60 Ų6034.5 Ų34.528%0.2818%0.181SC..  trans-118128.5179.5-59.7176.6160.400108.7E155 K188 A204 S205E155-E186 HydrophobicContact CB-CB 4.14Å; E155-E186 HydrophobicContact CB-CG 4.1Å; E155-E186 HydrophobicContact CG-CB 4.24Å; E155-E186 HydrophobicContact CG-CG 4.48Å; E186-K188 HydrophobicContact CB-CD 4.4Å; E186-K188 WeakPolarHBondContact OE2-CE 3.45Å; E186-K188 IonicContact OE2-NZ 3.7Å; E186-K188 PolarHBondContact OE2-NZ 2.84Å; E186-A204 CarbonylContact O-C 3.56Å; E186-A204 WeakPolarHBondContact O-CA 3.22Å; E186-A204 WeakPolarHBondContact O-CB 3.46Å; E186-S205 WeakPolarHBondContact CB-OG 3.34Å; E186-S205 PolarHBondContact N-OG 3.46Å; E186-S205 PolarHBondContact O-N 2.87Å; E186-S205 PolarHBondContact O-OG 3.38Å
187A98.1Very high93.6Very high0 Ų034.5 Ų34.50%018%0.181CC..EExtended strand (participates in β ladder)trans-85125.6168.600000109A153 A154 I159 L177A153-A187 HydrophobicContact CB-CB 3.95Å; A154-A187 CarbonylContact C-O 3.6Å; A154-A187 WeakPolarHBondContact O-CB 3.47Å; A154-A187 PolarHBondContact O-N 3.15Å; A154-A187 VanDerWaalsContact O-N 3.1Å; I159-A187 HydrophobicContact CD1-CB 3.86Å; L177-A187 HydrophobicContact CD1-CB 3.91Å
188K97.9Very high93.5Very high11 Ų1136.3 Ų36.35%0.04819%0.191CC..EExtended strand (participates in β ladder)trans-106.6-33.2-175.7-63.1-56.7-175.2164.40113K138 E155 E186 G203 V270 D539K138-K188 WeakPolarHBondContact CB-O 3.47Å; K138-K188 HydrophobicContact CG-CD 4.29Å; E155-K188 HydrophobicContact CG-CD 4.29Å; E155-K188 IonicContact OE1-NZ 3.02Å; E155-K188 PolarHBondContact OE1-NZ 3.03Å; E186-K188 HydrophobicContact CB-CD 4.4Å; E186-K188 WeakPolarHBondContact OE2-CE 3.45Å; E186-K188 IonicContact OE2-NZ 3.7Å; E186-K188 PolarHBondContact OE2-NZ 2.84Å; K188-G203 PolarHBondContact N-O 2.9Å; K188-V270 HydrophobicContact CB-CG2 4.22Å; K188-V270 HydrophobicContact CD-CG2 4.46Å; K188-V270 HydrophobicContact CG-CG2 3.38Å; K188-D539 HydrophobicContact CD-CB 4.46Å; K188-D539 IonicContact NZ-OD2 3.5Å; K188-D539 PolarHBondContact NZ-OD2 2.89Å
189C98.1Very high93.8Very high0 Ų035.9 Ų35.90%019%0.189CC..EExtended strand (participates in β ladder)trans-151.315618059.60000111.8R139 V202 G203 A271 Y273 V274R139-C189 HydrophobicContact CB-CB 4.42Å; R139-C189 HydrophobicContact CG-CB 4.38Å; C189-V202 WeakPolarHBondContact O-CA 3.29Å; C189-G203 PolarHBondContact N-O 2.84Å; C189-G203 VanDerWaalsContact N-O 3.16Å; C189-G203 PolarHBondContact O-N 2.94Å; C189-A271 PolarHBondContact SG-O 2.86Å; C189-Y273 VanDerWaalsContact SG-CA 3.53Å; C189-V274 HydrophobicContact CB-CG2 4.35Å
190L98.6Very high94.3Very high6 Ų633.6 Ų33.63%0.03118%0.178CC..EExtended strand (participates in β ladder)trans-147.4157.5172.381.3179.2000110.3R139 A141 W151 A153 I159 L200 A201 V202R139-L190 HydrophobicContact CB-CD2 3.6Å; R139-L190 HydrophobicContact CG-CD2 3.71Å; R139-L190 WeakPolarHBondContact O-CD2 3.27Å; A141-L190 HydrophobicContact CB-CD1 4.24Å; A141-L190 HydrophobicContact CB-CD2 3.95Å; A141-L190 HydrophobicContact CB-CG 3.71Å; W151-L190 HydrophobicContact CB-CD1 3.66Å; A153-L190 HydrophobicContact CB-CB 4.19Å; A153-L190 HydrophobicContact CB-CD1 4.24Å; A153-L190 HydrophobicContact CB-CD2 3.73Å; A153-L190 HydrophobicContact CB-CG 4.25Å; I159-L190 HydrophobicContact CD1-CD1 4.38Å; I159-L190 HydrophobicContact CG2-CD1 3.76Å; L190-L200 HydrophobicContact CB-CD2 4.36Å; L190-A201 CarbonylContact C-O 3.46Å; L190-A201 WeakPolarHBondContact CA-O 3.49Å; L190-V202 HydrophobicContact CB-CG2 4.43Å
191T98.3Very high94.8Very high27 Ų2732.4 Ų32.417%0.16617%0.174CC..EExtended strand (participates in β ladder)trans-155152.4174.3-1710000110.1A201 V274 F276T191-A201 HydrophobicContact CG2-CB 3.98Å; T191-A201 PolarHBondContact N-O 2.97Å; T191-A201 PolarHBondContact O-N 3.27Å; T191-V274 HydrophobicContact CG2-CB 4.36Å; T191-V274 HydrophobicContact CG2-CG2 3.79Å; T191-V274 WeakPolarHBondContact CG2-O 3.31Å; T191-F276 HydrophobicContact CG2-CD2 3.57Å; T191-F276 HydrophobicContact CG2-CE2 3.6Å
192V98.1Very high95.3Very high11 Ų1131.6 Ų31.67%0.06717%0.168CC..EExtended strand (participates in β ladder)trans-106.2138.1179179.10000109A141 A143 W151 N197 L200A141-V192 HydrophobicContact CB-CG2 4.31Å; A143-V192 HydrophobicContact CB-CB 4.11Å; A143-V192 HydrophobicContact CB-CG1 3.74Å; A143-V192 HydrophobicContact CB-CG2 4.5Å; W151-V192 HydrophobicContact CE3-CG2 3.78Å; W151-V192 HydrophobicContact CH2-CG2 4.47Å; W151-V192 HydrophobicContact CZ3-CG2 3.74Å; V192-N197 HydrophobicContact CG1-CB 4.14Å; V192-L200 HydrophobicContact CG2-CD1 4.22Å; V192-L200 HydrophobicContact CG2-CG 4.34Å
193N97.6Very high95.8Very high11 Ų1131.1 Ų31.16%0.05916%0.163CC..  trans-65.4127.3-179.7-177.7-51.3000110.1Q195 D196 N197 C199 F276 G280N193-Q195 VanDerWaalsContact C-N 3.27Å; N193-Q195 PolarHBondContact O-N 3.39Å; N193-Q195 PolarHBondContact OD1-N 3.15Å; N193-D196 WeakPolarHBondContact CB-O 3.5Å; N193-D196 CarbonylContact O-C 3.54Å; N193-D196 PolarHBondContact OD1-N 3.5Å; N193-N197 PolarHBondContact O-N 2.91Å; N193-N197 PolarHBondContact O-ND2 2.8Å; N193-C199 HydrophobicContact CB-CB 3.8Å; N193-C199 PolarHBondContact N-O 3.13Å; N193-F276 VanDerWaalsContact CA-CE2 3.49Å; N193-F276 HydrophobicContact CB-CD1 4.21Å; N193-F276 HydrophobicContact CB-CD2 3.97Å; N193-F276 HydrophobicContact CB-CE1 4Å; N193-F276 HydrophobicContact CB-CE2 3.74Å; N193-F276 HydrophobicContact CB-CG 4.19Å; N193-F276 HydrophobicContact CB-CZ 3.76Å; N193-G280 PolarHBondContact ND2-O 3.24Å
194P94Very high96.2Very high58 Ų5826.9 Ų26.938%0.37714%0.143SC..SBendtrans-70-20.1-172.527.3-35.7000113.9N197 F276P194-N197 PolarHBondContact O-ND2 2.89Å; P194-F276 HydrophobicContact CG-CB 4.37Å
195Q92Very high96.4Very high129 Ų12922.9 Ų22.960%0.60313%0.125SC*.SBendtrans-101.8-38.7179.6-62.3-60.4-33.700112.7N193 P278 N279N193-Q195 VanDerWaalsContact C-N 3.27Å; N193-Q195 PolarHBondContact O-N 3.39Å; N193-Q195 PolarHBondContact OD1-N 3.15Å; Q195-P278 PolarHBondContact NE2-O 2.6Å; Q195-N279 VanDerWaalsContact CG-O 3.28Å; Q195-N279 WeakPolarHBondContact CG-O 3.21Å
196D93.9Very high96.3Very high56 Ų5623.4 Ų23.430%0.29913%0.132SC..  trans-114.888172.2-173.7-1.1000109.6N193 N198 C199N193-D196 WeakPolarHBondContact CB-O 3.5Å; N193-D196 CarbonylContact O-C 3.54Å; N193-D196 PolarHBondContact OD1-N 3.5Å; D196-N198 PolarHBondContact O-N 3.4Å; D196-N198 WeakPolarHBondContact OD1-CB 3.24Å; D196-N198 PolarHBondContact OD1-N 3.08Å; D196-N198 PolarHBondContact OD1-ND2 3.49Å; D196-C199 PolarHBondContact O-N 2.86Å
197N93.4Very high96.2Very high5 Ų520.6 Ų20.63%0.02712%0.119CC..THydrogen-bonded Turntrans-66.15-176.9-65.4-176.7000113.9A143 M145 W146 V192 N193 P194A143-N197 HydrophobicContact CB-CB 4.27Å; M145-N197 HydrophobicContact CB-CB 4.14Å; M145-N197 WeakPolarHBondContact CB-OD1 3.39Å; M145-N197 HydrophobicContact CG-CB 4.37Å; M145-N197 WeakPolarHBondContact CG-OD1 3.18Å; M145-N197 PolarHBondContact N-OD1 3.2Å; M145-N197 HydrophobicContact SD-CB 4.12Å; W146-N197 PolarHBondContact NE1-O 3.35Å; V192-N197 HydrophobicContact CG1-CB 4.14Å; N193-N197 PolarHBondContact O-N 2.91Å; N193-N197 PolarHBondContact O-ND2 2.8Å; P194-N197 PolarHBondContact O-ND2 2.89Å
198N93.1Very high96.1Very high37 Ų3720.7 Ų20.720%0.19812%0.12CC..THydrogen-bonded Turntrans-89.4-13.1168.7-54.5-69.8000113D196 I214 R215D196-N198 PolarHBondContact O-N 3.4Å; D196-N198 WeakPolarHBondContact OD1-CB 3.24Å; D196-N198 PolarHBondContact OD1-N 3.08Å; D196-N198 PolarHBondContact OD1-ND2 3.49Å; N198-I214 HydrophobicContact CB-CG1 4.44Å; N198-I214 WeakPolarHBondContact O-CG1 2.98Å; N198-I214 PolarHBondContact O-N 3.32Å; N198-R215 HydrophobicContact CB-CG 3.88Å; N198-R215 VanDerWaalsContact CG-CD 3.44Å; N198-R215 WeakPolarHBondContact OD1-CD 3.38Å; N198-R215 WeakPolarHBondContact OD1-CG 3.24Å
199C96.5Very high96.1Very high24 Ų2420.2 Ų20.216%0.16212%0.118CC..EExtended strand (participates in β ladder)trans-94.2119.7177.9-71.20000110.9N193 D196 L211 Y212N193-C199 HydrophobicContact CB-CB 3.8Å; N193-C199 PolarHBondContact N-O 3.13Å; D196-C199 PolarHBondContact O-N 2.86Å; C199-L211 HydrophobicContact CB-CD1 4.24Å; C199-Y212 CarbonylContact C-O 3.59Å; C199-Y212 WeakPolarHBondContact CA-O 3.49Å
200L98Very high96Very high0 Ų020.2 Ų20.20%012%0.118CC..EExtended strand (participates in β ladder)trans-119.6121-179.9-172.5154.8000109.9W151 L174 I175 L190 V192 V202 Y212 I214W151-L200 HydrophobicContact CB-CD1 4.46Å; W151-L200 HydrophobicContact CD2-CD1 4.21Å; W151-L200 HydrophobicContact CG-CD1 4.04Å; L174-L200 HydrophobicContact CD2-CD1 4.02Å; I175-L200 HydrophobicContact CD1-CD2 4.45Å; L190-L200 HydrophobicContact CB-CD2 4.36Å; V192-L200 HydrophobicContact CG2-CD1 4.22Å; V192-L200 HydrophobicContact CG2-CG 4.34Å; L200-V202 HydrophobicContact CD2-CG2 3.3Å; L200-Y212 PolarHBondContact N-O 3.37Å; L200-Y212 PolarHBondContact O-N 2.93Å; L200-I214 HydrophobicContact CB-CG2 3.63Å; L200-I214 HydrophobicContact CD1-CG2 4.21Å
201A98.7Very high96Very high0 Ų021 Ų210%012%0.122CC..EExtended strand (participates in β ladder)trans-94.6138.9175.200000110.9L190 T191 R210 L211 V274 F276 L283L190-A201 CarbonylContact C-O 3.46Å; L190-A201 WeakPolarHBondContact CA-O 3.49Å; T191-A201 HydrophobicContact CG2-CB 3.98Å; T191-A201 PolarHBondContact N-O 2.97Å; T191-A201 PolarHBondContact O-N 3.27Å; A201-R210 CarbonylContact C-O 3.55Å; A201-R210 VanDerWaalsContact CA-O 3.27Å; A201-R210 WeakPolarHBondContact CA-O 3.41Å; A201-L211 HydrophobicContact CB-CD1 4.02Å; A201-V274 HydrophobicContact CB-CG2 4.47Å; A201-F276 HydrophobicContact CB-CE2 3.87Å; A201-F276 HydrophobicContact CB-CZ 3.68Å; A201-L283 HydrophobicContact CB-CD1 3.83Å; A201-L283 HydrophobicContact CB-CD2 4.11Å
202V98.7Very high96Very high0 Ų019.8 Ų19.80%011%0.114CC..EExtended strand (participates in β ladder)trans-128.2125.3-179.8-179.70000110.2I159 I175 L177 C189 L190 L200 R210 Y212I159-V202 HydrophobicContact CD1-CG1 3.87Å; I159-V202 HydrophobicContact CD1-CG2 4.01Å; I159-V202 HydrophobicContact CG1-CG1 4.39Å; I159-V202 HydrophobicContact CG1-CG2 3.99Å; I175-V202 HydrophobicContact CD1-CG2 4.44Å; L177-V202 HydrophobicContact CD1-CG1 4.4Å; C189-V202 WeakPolarHBondContact O-CA 3.29Å; L190-V202 HydrophobicContact CB-CG2 4.43Å; L200-V202 HydrophobicContact CD2-CG2 3.3Å; V202-R210 HydrophobicContact CB-CB 4.5Å; V202-R210 PolarHBondContact N-O 2.93Å; V202-R210 PolarHBondContact O-N 3.3Å; V202-Y212 HydrophobicContact CB-CE2 4.09Å; V202-Y212 HydrophobicContact CG2-CD2 3.89Å; V202-Y212 HydrophobicContact CG2-CE2 3.78Å
203G98.2Very high95.8Very high0 Ų020.6 Ų20.60%012%0.118CC..EExtended strand (participates in β ladder)trans-98.1131.9164.400000110.8K188 C189K188-G203 PolarHBondContact N-O 2.9Å; C189-G203 PolarHBondContact N-O 2.84Å; C189-G203 VanDerWaalsContact N-O 3.16Å; C189-G203 PolarHBondContact O-N 2.94Å
204A96.7Very high95.6Very high0 Ų020.8 Ų20.80%012%0.119CC..EExtended strand (participates in β ladder)trans-146.9-178.5-177.100000110.3L177 V185 E186 G206L177-A204 HydrophobicContact CD1-CB 3.68Å; V185-A204 HydrophobicContact CG2-CB 4.34Å; E186-A204 CarbonylContact O-C 3.56Å; E186-A204 WeakPolarHBondContact O-CA 3.22Å; E186-A204 WeakPolarHBondContact O-CB 3.46Å; A204-G206 PolarHBondContact O-N 2.87Å
205S93.7Very high95.4Very high36 Ų3625.3 Ų25.325%0.25213%0.128SC..BIsolated β-bridgetrans-51.9135.8175.2-47.20000112.2E186E186-S205 WeakPolarHBondContact CB-OG 3.34Å; E186-S205 PolarHBondContact N-OG 3.46Å; E186-S205 PolarHBondContact O-N 2.87Å; E186-S205 PolarHBondContact O-OG 3.38Å
206G92Very high95.3Very high20 Ų2022.1 Ų22.121%0.20611%0.114CC..SBendtrans95.5175.1-176.500000113.7A204 F208 L269A204-G206 PolarHBondContact O-N 2.87Å; G206-F208 VanDerWaalsContact C-N 3.25Å; G206-F208 PolarHBondContact O-N 3.06Å; G206-L269 CarbonylContact C-O 3.59Å; G206-L269 VanDerWaalsContact CA-O 3.27Å; G206-L269 WeakPolarHBondContact CA-O 3.31Å; G206-L269 PolarHBondContact N-O 2.7Å
207P93.7Very high95.1Very high2 Ų220.6 Ų20.61%0.01311%0.106CC..SBendtrans-81.2-1-171.933.3-36.9000114.2V251 L255 L269 M287P207-V251 HydrophobicContact CB-CG2 4.04Å; P207-V251 HydrophobicContact CG-CG2 4.32Å; P207-L255 HydrophobicContact CB-CB 3.82Å; P207-L255 HydrophobicContact CB-CD1 3.95Å; P207-L269 HydrophobicContact CB-CD1 4Å; P207-M287 WeakPolarHBondContact O-CE 3.16Å
208F96Very high94.6Very high2 Ų227.9 Ų27.91%0.00914%0.139CC..  trans-97135.3-172.2-62.4-86.8000111.4G206 R210 Y249 Y250 V251 P256 L336 R520G206-F208 VanDerWaalsContact C-N 3.25Å; G206-F208 PolarHBondContact O-N 3.06Å; F208-R210 PolarHBondContact O-NH1 3.23Å; F208-Y249 HydrophobicContact CB-CD1 3.94Å; F208-Y249 HydrophobicContact CB-CE1 4.39Å; F208-Y249 HydrophobicContact CD1-CD1 4.1Å; F208-Y249 HydrophobicContact CG-CD1 4.2Å; F208-Y250 WeakPolarHBondContact CA-O 3.13Å; F208-V251 HydrophobicContact CD1-CB 3.73Å; F208-V251 HydrophobicContact CD1-CG1 4.28Å; F208-V251 HydrophobicContact CD1-CG2 4.03Å; F208-V251 HydrophobicContact CE1-CB 3.84Å; F208-V251 HydrophobicContact CE1-CG1 3.96Å; F208-V251 HydrophobicContact CE1-CG2 3.94Å; F208-V251 HydrophobicContact CZ-CG2 4.37Å; F208-P256 HydrophobicContact CE1-CG 4.49Å; F208-P256 HydrophobicContact CZ-CG 3.98Å; F208-L336 HydrophobicContact CE2-CD2 4.19Å; F208-L336 HydrophobicContact CZ-CD2 3.76Å; F208-R520 HydrophobicContact CD1-CB 4.28Å; F208-R520 HydrophobicContact CD1-CG 4.03Å; F208-R520 HydrophobicContact CD2-CG 4.04Å; F208-R520 HydrophobicContact CE1-CB 3.71Å; F208-R520 HydrophobicContact CE1-CG 3.87Å; F208-R520 HydrophobicContact CE2-CB 4.33Å; F208-R520 HydrophobicContact CE2-CG 3.9Å; F208-R520 HydrophobicContact CG-CG 4.12Å; F208-R520 HydrophobicContact CZ-CB 3.75Å; F208-R520 HydrophobicContact CZ-CG 3.81Å
209V98Very high94Very high1 Ų128.8 Ų28.81%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-106.4139.1167.5-179.50000109Y249 Y250 A271 V274 L283 V285 M287V209-Y249 CarbonylContact O-C 3.5Å; V209-Y249 WeakPolarHBondContact O-CA 3.47Å; V209-Y250 PolarHBondContact N-O 3.2Å; V209-Y250 PolarHBondContact O-N 2.93Å; V209-A271 HydrophobicContact CG2-CB 3.76Å; V209-V274 HydrophobicContact CG1-CG1 3.9Å; V209-V274 HydrophobicContact CG2-CG1 4.26Å; V209-L283 HydrophobicContact CG1-CD2 3.75Å; V209-V285 HydrophobicContact CB-CG2 4.42Å; V209-V285 HydrophobicContact CG1-CG2 4.33Å; V209-V285 HydrophobicContact CG2-CB 4.36Å; V209-V285 HydrophobicContact CG2-CG1 3.57Å; V209-V285 HydrophobicContact CG2-CG2 3.85Å; V209-M287 HydrophobicContact CG2-CE 4.33Å
210R97.4Very high93.2Very high0 Ų029.5 Ų29.50%015%0.145CC..EExtended strand (participates in β ladder)trans-117.6126.1-167.4-53.4171.8179.667.9-3.8108.6A201 V202 F208 Y212 Y249 E516A201-R210 CarbonylContact C-O 3.55Å; A201-R210 VanDerWaalsContact CA-O 3.27Å; A201-R210 WeakPolarHBondContact CA-O 3.41Å; V202-R210 HydrophobicContact CB-CB 4.5Å; V202-R210 PolarHBondContact N-O 2.93Å; V202-R210 PolarHBondContact O-N 3.3Å; F208-R210 PolarHBondContact O-NH1 3.23Å; R210-Y212 HydrophobicContact CB-CD2 4.33Å; R210-Y212 HydrophobicContact CB-CE2 3.55Å; R210-Y212 VanDerWaalsContact CD-OH 3.29Å; R210-Y212 WeakPolarHBondContact CD-OH 3.24Å; R210-Y249 HydrophobicContact CB-CD2 4.28Å; R210-Y249 HydrophobicContact CB-CE2 3.9Å; R210-Y249 VanDerWaalsContact CD-OH 3.28Å; R210-Y249 WeakPolarHBondContact CD-OH 3.29Å; R210-Y249 HydrophobicContact CG-CD1 4.22Å; R210-Y249 HydrophobicContact CG-CD2 4.07Å; R210-Y249 HydrophobicContact CG-CE1 3.79Å; R210-Y249 HydrophobicContact CG-CE2 3.59Å; R210-Y249 HydrophobicContact CG-CG 4.36Å; R210-Y249 VanDerWaalsContact CG-CZ 3.45Å; R210-Y249 PolarHBondContact NE-OH 3.37Å; R210-E516 IonicContact NH2-OE1 2.91Å
211L97.9Very high92Very high21 Ų2136.5 Ų36.511%0.1117%0.172CC..EExtended strand (participates in β ladder)trans-110.6119.1176-176.669000108.5C199 A201 A247 Q248 Y250 F276 L297C199-L211 HydrophobicContact CB-CD1 4.24Å; A201-L211 HydrophobicContact CB-CD1 4.02Å; L211-A247 CarbonylContact O-C 3.57Å; L211-A247 VanDerWaalsContact O-CA 3.32Å; L211-A247 WeakPolarHBondContact O-CA 3.38Å; L211-Q248 HydrophobicContact CB-CB 4.5Å; L211-Q248 WeakPolarHBondContact CB-O 3.37Å; L211-Q248 PolarHBondContact N-O 3.34Å; L211-Q248 PolarHBondContact O-N 3.12Å; L211-Y250 HydrophobicContact CB-CD2 4.46Å; L211-Y250 HydrophobicContact CB-CE2 3.92Å; L211-Y250 HydrophobicContact CD2-CE2 4.05Å; L211-F276 HydrophobicContact CD1-CE1 3.98Å; L211-F276 HydrophobicContact CD1-CZ 3.54Å; L211-L297 HydrophobicContact CD2-CD2 4.44Å
212Y97.4Very high90.5Very high2 Ų238.6 Ų38.61%0.00818%0.181CC..EExtended strand (participates in β ladder)trans-108.2141.5-177.3-64.9-76.9000111.5I175 Y180 C199 L200 V202 R210 I217 L242 A246 A247I175-Y212 HydrophobicContact CD1-CD1 4.3Å; I175-Y212 HydrophobicContact CD1-CD2 3.45Å; I175-Y212 VanDerWaalsContact CD1-CD2 3.45Å; I175-Y212 HydrophobicContact CD1-CE2 3.71Å; I175-Y212 HydrophobicContact CD1-CG 3.75Å; I175-Y212 HydrophobicContact CG1-CD2 4.47Å; I175-Y212 HydrophobicContact CG1-CE2 4.47Å; I175-Y212 HydrophobicContact CG2-CE2 4.46Å; Y180-Y212 PolarHBondContact OH-OH 3.32Å; C199-Y212 CarbonylContact C-O 3.59Å; C199-Y212 WeakPolarHBondContact CA-O 3.49Å; L200-Y212 PolarHBondContact N-O 3.37Å; L200-Y212 PolarHBondContact O-N 2.93Å; V202-Y212 HydrophobicContact CB-CE2 4.09Å; V202-Y212 HydrophobicContact CG2-CD2 3.89Å; V202-Y212 HydrophobicContact CG2-CE2 3.78Å; R210-Y212 HydrophobicContact CB-CD2 4.33Å; R210-Y212 HydrophobicContact CB-CE2 3.55Å; R210-Y212 VanDerWaalsContact CD-OH 3.29Å; R210-Y212 WeakPolarHBondContact CD-OH 3.24Å; Y212-I217 HydrophobicContact CD1-CD1 3.78Å; Y212-I217 HydrophobicContact CG-CD1 4.05Å; Y212-L242 HydrophobicContact CE1-CD1 3.91Å; Y212-A246 VanDerWaalsContact CA-O 3.32Å; Y212-A246 WeakPolarHBondContact CA-O 3.39Å; Y212-A247 HydrophobicContact CD1-CB 3.63Å; Y212-A247 HydrophobicContact CE1-CB 3.57Å
213D95.1Very high88.5Confident28 Ų2842.7 Ų42.715%0.1521%0.209CC..EExtended strand (participates in β ladder)trans-90.5103.5160.1-173.6-21.8000108.7R215 M216 A246D213-R215 PolarHBondContact O-N 2.85Å; D213-R215 VanDerWaalsContact O-N 3.17Å; D213-R215 VanDerWaalsContact OD1-CB 3.3Å; D213-R215 WeakPolarHBondContact OD1-CB 3.35Å; D213-R215 IonicContact OD1-CZ 3.99Å; D213-R215 PolarHBondContact OD1-N 3.28Å; D213-R215 IonicContact OD1-NE 3.3Å; D213-R215 PolarHBondContact OD1-NE 3.03Å; D213-R215 IonicContact OD1-NH2 3.68Å; D213-R215 IonicContact OD2-CZ 2.98Å; D213-R215 IonicContact OD2-NE 3.77Å; D213-R215 PolarHBondContact OD2-NE 2.87Å; D213-R215 IonicContact OD2-NH2 3.05Å; D213-R215 PolarHBondContact OD2-NH2 3.32Å; D213-M216 HydrophobicContact CB-CG 4.17Å; D213-M216 HydrophobicContact CB-SD 4.1Å; D213-M216 PolarHBondContact O-N 2.82Å; D213-M216 VanDerWaalsContact O-N 3.07Å; D213-A246 PolarHBondContact N-O 3.45Å
214I92.8Very high86.3Confident15 Ų1548.9 Ų48.98%0.07724%0.24CC..G310 helixtrans-67.4-17.4-173.772.1-170.9000112.6W151 L174 N198 L200 M216 I217W151-I214 HydrophobicContact CZ2-CD1 4.05Å; L174-I214 HydrophobicContact CD1-CB 4.36Å; L174-I214 HydrophobicContact CD2-CG2 4.08Å; N198-I214 HydrophobicContact CB-CG1 4.44Å; N198-I214 WeakPolarHBondContact O-CG1 2.98Å; N198-I214 PolarHBondContact O-N 3.32Å; L200-I214 HydrophobicContact CB-CG2 3.63Å; L200-I214 HydrophobicContact CD1-CG2 4.21Å; I214-M216 PolarHBondContact O-N 3.28Å; I214-I217 PolarHBondContact O-N 2.85Å
215R89.8Confident83.8Confident153 Ų15355.1 Ų55.158%0.57727%0.267SS*.G310 helixtrans-68.7-23.8174.8-58.7169.8-64.8-170.24.4112.3N198 D213 I217N198-R215 HydrophobicContact CB-CG 3.88Å; N198-R215 VanDerWaalsContact CG-CD 3.44Å; N198-R215 WeakPolarHBondContact OD1-CD 3.38Å; N198-R215 WeakPolarHBondContact OD1-CG 3.24Å; D213-R215 PolarHBondContact O-N 2.85Å; D213-R215 VanDerWaalsContact O-N 3.17Å; D213-R215 VanDerWaalsContact OD1-CB 3.3Å; D213-R215 WeakPolarHBondContact OD1-CB 3.35Å; D213-R215 IonicContact OD1-CZ 3.99Å; D213-R215 PolarHBondContact OD1-N 3.28Å; D213-R215 IonicContact OD1-NE 3.3Å; D213-R215 PolarHBondContact OD1-NE 3.03Å; D213-R215 IonicContact OD1-NH2 3.68Å; D213-R215 IonicContact OD2-CZ 2.98Å; D213-R215 IonicContact OD2-NE 3.77Å; D213-R215 PolarHBondContact OD2-NE 2.87Å; D213-R215 IonicContact OD2-NH2 3.05Å; D213-R215 PolarHBondContact OD2-NH2 3.32Å; R215-I217 VanDerWaalsContact C-N 3.32Å
216M90.9Very high81.1Confident63 Ų6361.6 Ų61.631%0.3129%0.293SS..G310 helixtrans-88.1-6.1179.2-59.8-177.465.700112.1D213 I214 P243 D244 A246D213-M216 HydrophobicContact CB-CG 4.17Å; D213-M216 HydrophobicContact CB-SD 4.1Å; D213-M216 PolarHBondContact O-N 2.82Å; D213-M216 VanDerWaalsContact O-N 3.07Å; I214-M216 PolarHBondContact O-N 3.28Å; M216-P243 HydrophobicContact CE-CB 4.28Å; M216-D244 WeakPolarHBondContact CE-O 3.34Å; M216-A246 HydrophobicContact CB-CB 3.74Å; M216-A246 HydrophobicContact CE-CB 4.13Å; M216-A246 HydrophobicContact SD-CB 4.26Å
217I89Confident78.4Confident23 Ų2363 Ų6312%0.11830%0.3CS..SBendtrans-110.5130.6-174.1-55.9177.3000108.8L174 I175 Y212 I214 R215 L242L174-I217 HydrophobicContact CD1-CB 4.08Å; L174-I217 HydrophobicContact CD1-CG2 3.81Å; L174-I217 WeakPolarHBondContact O-CG2 3.28Å; I175-I217 HydrophobicContact CD1-CD1 4.31Å; I175-I217 HydrophobicContact CG1-CD1 4Å; Y212-I217 HydrophobicContact CD1-CD1 3.78Å; Y212-I217 HydrophobicContact CG-CD1 4.05Å; I214-I217 PolarHBondContact O-N 2.85Å; R215-I217 VanDerWaalsContact C-N 3.32Å; I217-L242 HydrophobicContact CD1-CD2 4.43Å; I217-L242 HydrophobicContact CG1-CD2 4.49Å
218H82.5Confident76Confident158 Ų15869.4 Ų69.473%0.73134%0.342SS*.  trans-97.1120.3179-65.576.1000109.8
219N81.7Confident73.5Confident56 Ų5673.4 Ų73.430%0.29937%0.37SS..  trans-65.4147.7174.5-65.3-6.1000111.1Q161 E172 V173 L174Q161-N219 PolarHBondContact NE2-ND2 2.98Å; Q161-N219 PolarHBondContact OE1-ND2 3.44Å; E172-N219 HydrophobicContact CB-CB 4.01Å; V173-N219 WeakPolarHBondContact O-CA 3.36Å; L174-N219 WeakPolarHBondContact CD1-OD1 3.46Å
220H78.8Confident70.6Confident39 Ų3978.6 Ų78.618%0.18141%0.413CS..BIsolated β-bridgetrans-152.1155.6176.364.7-86.8000113.6E172 V173 Q239E172-H220 WeakPolarHBondContact OE2-CA 3.48Å; V173-H220 WeakPolarHBondContact CB-O 3.48Å; V173-H220 PolarHBondContact N-O 3.36Å; V173-H220 PolarHBondContact O-N 3.15Å; H220-Q239 PolarHBondContact CD2-NE2 2.73Å; H220-Q239 VanDerWaalsContact CD2-NE2 3.32Å; H220-Q239 PolarHBondContact ND1-OE1 2.84Å; H220-Q239 PolarHBondContact NE2-NE2 3.48Å
221R73.6Confident67.9Low148 Ų14880.9 Ų80.956%0.55844%0.437SS*.  trans-79.7126.4173.5-65.8-172.9178.4-174.5-4110.3E166 E172 S223E166-R221 IonicContact OE2-NH2 3.12Å; E172-R221 VanDerWaalsContact CD-CG 3.42Å; E172-R221 WeakPolarHBondContact OE1-CD 3.45Å; E172-R221 WeakPolarHBondContact OE1-CG 3.15Å; E172-R221 IonicContact OE1-CZ 3.76Å; E172-R221 IonicContact OE1-NE 2.77Å; E172-R221 PolarHBondContact OE1-NE 3.15Å; E172-R221 IonicContact OE1-NH2 2.69Å; E172-R221 WeakPolarHBondContact OE2-CG 3.18Å; E172-R221 PolarHBondContact OE2-N 3.03Å; R221-S223 PolarHBondContact O-N 3.1Å
222K65.7Low65.5Low43 Ų4385.8 Ų85.819%0.18747%0.467CS..  trans-70.4112173.4-161161.8-177.11520109.3L158 V173 D176 M224 C236L158-K222 HydrophobicContact CD1-CD 4.04Å; V173-K222 HydrophobicContact CG2-CB 3.89Å; V173-K222 HydrophobicContact CG2-CD 4.31Å; D176-K222 IonicContact OD2-NZ 3.31Å; D176-K222 PolarHBondContact OD2-NZ 3.34Å; K222-M224 PolarHBondContact O-N 3.15Å; K222-C236 WeakPolarHBondContact CE-SG 3.01Å
223S56.5Low62.9Low86 Ų8690.1 Ų90.160%0.60149%0.487SS*.  trans-76.8107.4173.2-176.20000109.2R221 K225R221-S223 PolarHBondContact O-N 3.1Å; S223-K225 VanDerWaalsContact C-N 3.3Å; S223-K225 PolarHBondContact O-N 3.01Å
224M53.8Low60.6Low131 Ų13191.3 Ų91.365%0.64550%0.496SS*.  trans-74.882.6177-160.1174.4109.500109.5K222 Q226 T234K222-M224 PolarHBondContact O-N 3.15Å; M224-Q226 HydrophobicContact CE-CG 4.34Å; M224-Q226 PolarHBondContact O-N 3.26Å; M224-Q226 VanDerWaalsContact O-N 3.14Å; M224-T234 HydrophobicContact CG-CG2 4.19Å
225K44.2Very low58.1Low131 Ų13195.9 Ų95.957%0.5752%0.515SS*.  trans-70.4106.9166.4-69.9-179.1-174.8169.10107.3S223 S227 D237S223-K225 VanDerWaalsContact C-N 3.3Å; S223-K225 PolarHBondContact O-N 3.01Å; K225-S227 PolarHBondContact O-N 3.41Å; K225-D237 IonicContact NZ-OD2 3.6Å; K225-D237 PolarHBondContact NZ-OD2 3.39Å
226Q36.4Very low55.9Low171 Ų17191.2 Ų91.280%0.79951%0.505SS*.  trans-60.397.3170.4-71178.5-200108.9M224M224-Q226 HydrophobicContact CE-CG 4.34Å; M224-Q226 PolarHBondContact O-N 3.26Å; M224-Q226 VanDerWaalsContact O-N 3.14Å
227S35.4Very low53.8Low49 Ų4994.2 Ų94.234%0.34352%0.523SS..  trans-77.8130.1159.857.40000107.9K225 S229 F235K225-S227 PolarHBondContact O-N 3.41Å; S227-S229 PolarHBondContact O-N 2.9Å; S227-F235 WeakPolarHBondContact OG-CD2 3.2Å
228P42Very low51.9Low138 Ų138101.9 Ų101.990%0.89655%0.55SS**SBendtrans-70.63.4-175.228.2-35.9000114.7A230P228-A230 PolarHBondContact O-N 3.22Å
229S43.7Very low50.8Low85 Ų8598.8 Ų98.859%0.59454%0.536SS*.SBendtrans-80.8106.4171.5-56.30000108.9S227 G231S227-S229 PolarHBondContact O-N 2.9Å; S229-G231 PolarHBondContact O-N 3.05Å
230A37.8Very low49.9Very low111 Ų111105.4 Ų105.492%0.91756%0.562SS**  trans-6648.6-179.500000114.8P228P228-A230 PolarHBondContact O-N 3.22Å
231G39.8Very low49.5Very low48 Ų48107.4 Ų107.450%0.49558%0.578SS.*  trans-93.9138161.400000108.6S229 H233S229-G231 PolarHBondContact O-N 3.05Å; G231-H233 PolarHBondContact O-N 3.02Å
232V47.7Very low49.8Very low124 Ų124102.4 Ų102.475%0.75256%0.563SS**SBendtrans-63.111.2-179.3178.70000113.3
233H44.2Very low50.7Low92 Ų92103.4 Ų103.443%0.42657%0.573SS.*  trans-107.8116.3-177.9-57.5-73.5000110.3G231G231-H233 PolarHBondContact O-N 3.02Å
234T45.8Very low52.1Low54 Ų54105.8 Ų105.833%0.33158%0.579SS.*  trans-80.3127.3174.739.40000110.1M224M224-T234 HydrophobicContact CG-CG2 4.19Å
235F40.2Very low53.7Low110 Ų110102 Ų10248%0.48258%0.575SS.*  trans-87.4128.2178.1-59.8-87.6000110.5S227S227-F235 WeakPolarHBondContact OG-CD2 3.2Å
236C44.2Very low56Low55 Ų5595.9 Ų95.937%0.37255%0.548SS..  trans-115.8146168.4-720000111.4K222 R238K222-C236 WeakPolarHBondContact CE-SG 3.01Å; C236-R238 PolarHBondContact O-N 3.32Å
237D47.3Very low58.7Low127 Ų12788.1 Ų88.168%0.67951%0.513SS*.  trans-67.6118.2169.8-70.3-48.4000107.8K225 Q239K225-D237 IonicContact NZ-OD2 3.6Å; K225-D237 PolarHBondContact NZ-OD2 3.39Å; D237-Q239 PolarHBondContact O-N 2.78Å; D237-Q239 VanDerWaalsContact O-N 3.13Å
238R48.6Very low61.6Low183 Ų18387.9 Ų87.969%0.69151%0.507SS*.  trans-47.9112.5-176.1-174.6176.9163.7-170.4-6.4111.2C236C236-R238 PolarHBondContact O-N 3.32Å
239Q59.2Low64.2Low93 Ų9381.3 Ų81.344%0.43546%0.464SS..PPolyproline II helixtrans-70.8168.5173.6-73.4-166.16.300112.1E179 H220 D237E179-Q239 PolarHBondContact OE1-N 3.49Å; H220-Q239 PolarHBondContact CD2-NE2 2.73Å; H220-Q239 VanDerWaalsContact CD2-NE2 3.32Å; H220-Q239 PolarHBondContact ND1-OE1 2.84Å; H220-Q239 PolarHBondContact NE2-NE2 3.48Å; D237-Q239 PolarHBondContact O-N 2.78Å; D237-Q239 VanDerWaalsContact O-N 3.13Å
240K62.4Low66.8Low195 Ų19577.3 Ų77.385%0.84844%0.436SS*.PPolyproline II helixtrans-53.1142.5178.6-71.9179.5-179.8176.40110
241P70.5Confident69.6Low81 Ų8172 Ų7253%0.52639%0.392SS..PPolyproline II helixtrans-54.2149.2178.825.8-35.6000111D515P241-D515 VanDerWaalsContact CB-OD2 3.26Å; P241-D515 WeakPolarHBondContact CB-OD2 3.39Å
242L80.7Confident72.3Confident44 Ų4469.8 Ų69.823%0.2337%0.369CS..PPolyproline II helixtrans-48.4130171.8-77.6168.9000108.7Y180 Y212 I217 D244 A247 L519Y180-L242 HydrophobicContact CE1-CD1 4.1Å; Y180-L242 HydrophobicContact CE1-CG 4.47Å; Y180-L242 HydrophobicContact CE2-CD1 4.25Å; Y212-L242 HydrophobicContact CE1-CD1 3.91Å; I217-L242 HydrophobicContact CD1-CD2 4.43Å; I217-L242 HydrophobicContact CG1-CD2 4.49Å; L242-D244 PolarHBondContact O-N 3.15Å; L242-A247 HydrophobicContact CD1-CB 4.32Å; L242-L519 HydrophobicContact CD1-CD1 4.39Å
243P84.3Confident74.5Confident63 Ų6363.9 Ų63.941%0.40933%0.333SS..PPolyproline II helixtrans-55.3141.1177.2-25.434.7000110.8M216 G245 A246M216-P243 HydrophobicContact CE-CB 4.28Å; P243-G245 PolarHBondContact O-N 3.42Å; P243-A246 HydrophobicContact CB-CB 4.23Å; P243-A246 WeakPolarHBondContact O-CB 3.46Å; P243-A246 PolarHBondContact O-N 3.19Å
244D86.1Confident76.8Confident136 Ų13659.5 Ų59.573%0.72731%0.313SS*.THydrogen-bonded Turntrans-56.4133.3175.9-171.537.4000109.8M216 L242 A246 R522M216-D244 WeakPolarHBondContact CE-O 3.34Å; L242-D244 PolarHBondContact O-N 3.15Å; D244-A246 VanDerWaalsContact C-N 3.32Å; D244-A246 PolarHBondContact O-N 3.49Å; D244-R522 IonicContact OD1-NH1 3.51Å
245G87.3Confident79Confident53 Ų5357 Ų5755%0.54630%0.297SS..THydrogen-bonded Turntrans82.2-8.6-173.400000116.3P243 A247P243-G245 PolarHBondContact O-N 3.42Å; G245-A247 PolarHBondContact O-N 3.06Å
246A92Very high81.4Confident1 Ų152.5 Ų52.51%0.00828%0.28CS..SBendtrans-69.5-20.5177.400000113.5Y212 D213 M216 P243 D244Y212-A246 VanDerWaalsContact CA-O 3.32Å; Y212-A246 WeakPolarHBondContact CA-O 3.39Å; D213-A246 PolarHBondContact N-O 3.45Å; M216-A246 HydrophobicContact CB-CB 3.74Å; M216-A246 HydrophobicContact CE-CB 4.13Å; M216-A246 HydrophobicContact SD-CB 4.26Å; P243-A246 HydrophobicContact CB-CB 4.23Å; P243-A246 WeakPolarHBondContact O-CB 3.46Å; P243-A246 PolarHBondContact O-N 3.19Å; D244-A246 VanDerWaalsContact C-N 3.32Å; D244-A246 PolarHBondContact O-N 3.49Å
247A94.4Very high83.4Confident8 Ų851.7 Ų51.77%0.06627%0.273CS..EExtended strand (participates in β ladder)trans-135.4141.9-178.200000111.9L211 Y212 L242 G245 Y249 L519L211-A247 CarbonylContact O-C 3.57Å; L211-A247 VanDerWaalsContact O-CA 3.32Å; L211-A247 WeakPolarHBondContact O-CA 3.38Å; Y212-A247 HydrophobicContact CD1-CB 3.63Å; Y212-A247 HydrophobicContact CE1-CB 3.57Å; L242-A247 HydrophobicContact CD1-CB 4.32Å; G245-A247 PolarHBondContact O-N 3.06Å; A247-Y249 HydrophobicContact CB-CE2 4.14Å; A247-L519 HydrophobicContact CB-CD1 4.27Å; A247-L519 HydrophobicContact CB-CD2 4.26Å; A247-L519 WeakPolarHBondContact O-CD2 3.35Å
248Q95.7Very high85.2Confident44 Ų4447.5 Ų47.521%0.20625%0.248CC..EExtended strand (participates in β ladder)trans-130.6130.2173-179.659.77000110.2L211 Y250 R522 Y524L211-Q248 HydrophobicContact CB-CB 4.5Å; L211-Q248 WeakPolarHBondContact CB-O 3.37Å; L211-Q248 PolarHBondContact N-O 3.34Å; L211-Q248 PolarHBondContact O-N 3.12Å; Q248-Y250 HydrophobicContact CB-CE2 4.35Å; Q248-Y250 HydrophobicContact CG-CE2 3.79Å; Q248-R522 PolarHBondContact NE2-O 3.01Å; Q248-R522 VanDerWaalsContact NE2-O 3.1Å; Q248-Y524 VanDerWaalsContact CD-CD2 3.5Å; Q248-Y524 HydrophobicContact CG-CD2 3.93Å; Q248-Y524 HydrophobicContact CG-CE2 3.94Å; Q248-Y524 VanDerWaalsContact OE1-CE2 3.27Å
249Y96.6Very high86.9Confident0 Ų040.7 Ų40.70%023%0.225CC..EExtended strand (participates in β ladder)trans-102.5151.3-175.3-79.2-142.5000111.4F208 V209 R210 A247 E516 L519 R520 S523 Y524F208-Y249 HydrophobicContact CB-CD1 3.94Å; F208-Y249 HydrophobicContact CB-CE1 4.39Å; F208-Y249 HydrophobicContact CD1-CD1 4.1Å; F208-Y249 HydrophobicContact CG-CD1 4.2Å; V209-Y249 CarbonylContact O-C 3.5Å; V209-Y249 WeakPolarHBondContact O-CA 3.47Å; R210-Y249 HydrophobicContact CB-CD2 4.28Å; R210-Y249 HydrophobicContact CB-CE2 3.9Å; R210-Y249 VanDerWaalsContact CD-OH 3.28Å; R210-Y249 WeakPolarHBondContact CD-OH 3.29Å; R210-Y249 HydrophobicContact CG-CD1 4.22Å; R210-Y249 HydrophobicContact CG-CD2 4.07Å; R210-Y249 HydrophobicContact CG-CE1 3.79Å; R210-Y249 HydrophobicContact CG-CE2 3.59Å; R210-Y249 HydrophobicContact CG-CG 4.36Å; R210-Y249 VanDerWaalsContact CG-CZ 3.45Å; R210-Y249 PolarHBondContact NE-OH 3.37Å; A247-Y249 HydrophobicContact CB-CE2 4.14Å; Y249-E516 WeakPolarHBondContact CE1-OE1 3.47Å; Y249-E516 WeakPolarHBondContact CE1-OE2 3.27Å; Y249-E516 PolarHBondContact OH-OE2 3.17Å; Y249-L519 HydrophobicContact CD1-CB 4.35Å; Y249-L519 HydrophobicContact CD2-CB 4.04Å; Y249-L519 HydrophobicContact CE1-CB 4.29Å; Y249-L519 HydrophobicContact CE2-CB 4.02Å; Y249-L519 HydrophobicContact CE2-CD1 3.94Å; Y249-L519 HydrophobicContact CE2-CG 4.44Å; Y249-L519 HydrophobicContact CG-CB 4.23Å; Y249-R520 HydrophobicContact CD1-CG 4Å; Y249-R520 HydrophobicContact CE1-CG 4.07Å; Y249-S523 VanDerWaalsContact O-CA 3.25Å; Y249-S523 WeakPolarHBondContact O-CA 3.44Å; Y249-Y524 PolarHBondContact O-N 3.37Å
250Y98.1Very high88.1Confident1 Ų139.8 Ų39.80%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-133.7142.8176.9-63.3-92.9000109.5F208 V209 L211 Q248 F295 L297 K300 Y524F208-Y250 WeakPolarHBondContact CA-O 3.13Å; V209-Y250 PolarHBondContact N-O 3.2Å; V209-Y250 PolarHBondContact O-N 2.93Å; L211-Y250 HydrophobicContact CB-CD2 4.46Å; L211-Y250 HydrophobicContact CB-CE2 3.92Å; L211-Y250 HydrophobicContact CD2-CE2 4.05Å; Q248-Y250 HydrophobicContact CB-CE2 4.35Å; Q248-Y250 HydrophobicContact CG-CE2 3.79Å; Y250-F295 HydrophobicContact CD1-CB 3.85Å; Y250-F295 AromaticContact CD1-CD1 3.79Å; Y250-F295 HydrophobicContact CD1-CD1 3.79Å; Y250-F295 AromaticContact CD1-CG 3.98Å; Y250-F295 HydrophobicContact CD1-CG 3.98Å; Y250-F295 HydrophobicContact CE1-CB 4.4Å; Y250-F295 HydrophobicContact CG-CB 4.43Å; Y250-F295 HydrophobicContact CG-CD1 4.18Å; Y250-F295 HydrophobicContact CG-CG 4.27Å; Y250-L297 HydrophobicContact CE1-CD2 3.74Å; Y250-L297 HydrophobicContact CE2-CD2 3.96Å; Y250-L297 VanDerWaalsContact CZ-CD2 3.41Å; Y250-L297 WeakPolarHBondContact OH-CD2 3.16Å; Y250-K300 WeakPolarHBondContact OH-CE 3.5Å; Y250-Y524 CarbonylContact C-O 3.53Å; Y250-Y524 VanDerWaalsContact CA-O 3.3Å; Y250-Y524 WeakPolarHBondContact CA-O 3.4Å; Y250-Y524 HydrophobicContact CE1-CD2 4.12Å; Y250-Y524 HydrophobicContact CE1-CG 4.41Å
251V97.1Very high89.1Confident1 Ų134 Ų341%0.00621%0.206CC..  trans-157.2147.9-177.568.10000110.4P207 F208 G253 P256 P303 S523 Y524 D525P207-V251 HydrophobicContact CB-CG2 4.04Å; P207-V251 HydrophobicContact CG-CG2 4.32Å; F208-V251 HydrophobicContact CD1-CB 3.73Å; F208-V251 HydrophobicContact CD1-CG1 4.28Å; F208-V251 HydrophobicContact CD1-CG2 4.03Å; F208-V251 HydrophobicContact CE1-CB 3.84Å; F208-V251 HydrophobicContact CE1-CG1 3.96Å; F208-V251 HydrophobicContact CE1-CG2 3.94Å; F208-V251 HydrophobicContact CZ-CG2 4.37Å; V251-G253 PolarHBondContact O-N 3.47Å; V251-P256 HydrophobicContact CG1-CG 4.46Å; V251-P256 HydrophobicContact CG2-CG 3.83Å; V251-P303 HydrophobicContact CG1-CG 4.18Å; V251-S523 WeakPolarHBondContact CG1-OG 3.1Å; V251-Y524 PolarHBondContact N-O 2.89Å; V251-D525 WeakPolarHBondContact O-CA 3.39Å
252A96.1Very high89.8Confident1 Ų130.6 Ų30.61%0.00818%0.183CC..  trans-74.2118.516500000110.4H254 L255 P256 Y293 Y526A252-H254 PolarHBondContact O-N 3.05Å; A252-L255 HydrophobicContact CB-CD1 3.79Å; A252-L255 HydrophobicContact CB-CG 3.9Å; A252-L255 WeakPolarHBondContact O-CB 3.21Å; A252-L255 WeakPolarHBondContact O-CG 3.23Å; A252-L255 PolarHBondContact O-N 3.46Å; A252-P256 WeakPolarHBondContact O-CD 3.45Å; A252-Y293 HydrophobicContact CB-CD1 3.74Å; A252-Y293 HydrophobicContact CB-CD2 4.37Å; A252-Y293 HydrophobicContact CB-CE1 3.38Å; A252-Y293 HydrophobicContact CB-CE2 4.1Å; A252-Y293 HydrophobicContact CB-CG 4.22Å; A252-Y526 HydrophobicContact CB-CD1 3.62Å; A252-Y526 HydrophobicContact CB-CE1 3.81Å
253G93.2Very high89.9Confident0 Ų033.1 Ų33.10%020%0.196CC..THydrogen-bonded Turntrans-58.2-20.6-161.200000117.6V251 Y416 D525V251-G253 PolarHBondContact O-N 3.47Å; G253-Y416 WeakPolarHBondContact CA-OH 3.15Å; G253-D525 PolarHBondContact N-OD1 3.04Å
254H92.8Very high89.7Confident0 Ų036.6 Ų36.60%021%0.212CC..THydrogen-bonded Turntrans-88.7-11.7177.564.3-73.3000114.1A252 V257 K258 Y293 G413 Y416 L446A252-H254 PolarHBondContact O-N 3.05Å; H254-V257 VanDerWaalsContact O-CG1 3.28Å; H254-V257 WeakPolarHBondContact O-CG1 3.38Å; H254-K258 WeakPolarHBondContact O-CG 3.31Å; H254-K258 PolarHBondContact O-N 2.96Å; H254-Y293 PolarHBondContact CE1-OH 3.02Å; H254-Y293 VanDerWaalsContact CE1-OH 3.31Å; H254-G413 WeakPolarHBondContact NE2-CA 3.44Å; H254-Y416 HydrophobicContact CB-CD1 4.16Å; H254-Y416 HydrophobicContact CB-CD2 3.74Å; H254-Y416 HydrophobicContact CB-CE2 4.34Å; H254-Y416 HydrophobicContact CB-CG 3.63Å; H254-Y416 AromaticContact CG-CG 3.89Å; H254-Y416 AromaticContact ND1-CD1 3.47Å; H254-Y416 WeakPolarHBondContact ND1-CD1 3.34Å; H254-Y416 AromaticContact ND1-CG 3.71Å; H254-L446 HydrophobicContact CB-CD2 4.11Å
255L93.1Very high89.5Confident0 Ų037 Ų370%020%0.203CC..Hα-helixtrans-72.2-42.1-177.2-59.2-177.9000113.2P207 A252 V257 K258 L259 Y262 L269 E290P207-L255 HydrophobicContact CB-CB 3.82Å; P207-L255 HydrophobicContact CB-CD1 3.95Å; A252-L255 HydrophobicContact CB-CD1 3.79Å; A252-L255 HydrophobicContact CB-CG 3.9Å; A252-L255 WeakPolarHBondContact O-CB 3.21Å; A252-L255 WeakPolarHBondContact O-CG 3.23Å; A252-L255 PolarHBondContact O-N 3.46Å; L255-V257 VanDerWaalsContact C-N 3.33Å; L255-V257 PolarHBondContact O-N 2.81Å; L255-K258 CarbonylContact O-C 3.6Å; L255-K258 PolarHBondContact O-N 3.23Å; L255-K258 VanDerWaalsContact O-N 3.13Å; L255-L259 PolarHBondContact O-N 3.46Å; L255-Y262 HydrophobicContact CD2-CE2 3.98Å; L255-L269 HydrophobicContact CB-CD1 4.27Å; L255-L269 HydrophobicContact CD1-CD1 4.49Å; L255-L269 HydrophobicContact CD2-CD1 4.48Å; L255-E290 HydrophobicContact CD1-CG 4.07Å; L255-E290 VanDerWaalsContact CD2-CD 3.48Å; L255-E290 HydrophobicContact CD2-CG 3.59Å
256P90.3Very high89.2Confident17 Ų1740.5 Ų40.511%0.1121%0.208CC..Hα-helixtrans-58.7-40.9-179.8-27.836.9000113.7F208 V251 A252 K258 L259F208-P256 HydrophobicContact CE1-CG 4.49Å; F208-P256 HydrophobicContact CZ-CG 3.98Å; V251-P256 HydrophobicContact CG1-CG 4.46Å; V251-P256 HydrophobicContact CG2-CG 3.83Å; A252-P256 WeakPolarHBondContact O-CD 3.45Å; P256-K258 VanDerWaalsContact C-N 3.32Å; P256-K258 PolarHBondContact O-N 3.02Å; P256-L259 WeakPolarHBondContact O-CB 3.35Å; P256-L259 PolarHBondContact O-N 3.49Å
257V85Confident88.9Confident37 Ų3741.5 Ų41.522%0.22421%0.212CC..Hα-helixtrans-70.2-30.2178.969.20000112.3H254 L255 P260 Y448H254-V257 VanDerWaalsContact O-CG1 3.28Å; H254-V257 WeakPolarHBondContact O-CG1 3.38Å; L255-V257 VanDerWaalsContact C-N 3.33Å; L255-V257 PolarHBondContact O-N 2.81Å; V257-P260 WeakPolarHBondContact O-CD 2.95Å; V257-Y448 HydrophobicContact CB-CE1 4.11Å; V257-Y448 HydrophobicContact CG1-CE1 4.27Å; V257-Y448 HydrophobicContact CG1-CE2 4.35Å; V257-Y448 VanDerWaalsContact CG1-OH 3.28Å; V257-Y448 WeakPolarHBondContact CG1-OH 3.38Å; V257-Y448 HydrophobicContact CG2-CD1 4.5Å; V257-Y448 HydrophobicContact CG2-CE1 3.83Å
258K85.4Confident88.4Confident39 Ų3946.1 Ų46.117%0.1724%0.239CC..Hα-helixtrans-87.7-8.5178.6-73-168.7173.1-167.90114.1H254 L255 P256 P260 D261 Y262H254-K258 WeakPolarHBondContact O-CG 3.31Å; H254-K258 PolarHBondContact O-N 2.96Å; L255-K258 CarbonylContact O-C 3.6Å; L255-K258 PolarHBondContact O-N 3.23Å; L255-K258 VanDerWaalsContact O-N 3.13Å; P256-K258 VanDerWaalsContact C-N 3.32Å; P256-K258 PolarHBondContact O-N 3.02Å; K258-P260 VanDerWaalsContact C-CD 3.41Å; K258-P260 VanDerWaalsContact C-N 3.3Å; K258-D261 WeakPolarHBondContact O-CA 3.35Å; K258-D261 WeakPolarHBondContact O-CB 3.42Å; K258-D261 PolarHBondContact O-N 2.76Å; K258-Y262 HydrophobicContact CB-CD2 3.86Å; K258-Y262 HydrophobicContact CB-CE2 3.39Å; K258-Y262 HydrophobicContact CD-CE2 4.24Å; K258-Y262 HydrophobicContact CG-CE2 4.49Å; K258-Y262 WeakPolarHBondContact O-CD2 3.33Å; K258-Y262 PolarHBondContact O-N 3Å
259L85.4Confident88.2Confident40 Ų4044.4 Ų44.421%0.20923%0.231CC..Hα-helixtrans-52.1-41.1-178-169.965.8000113.5L255 P256 D261 Y262 N263 L269L255-L259 PolarHBondContact O-N 3.46Å; P256-L259 WeakPolarHBondContact O-CB 3.35Å; P256-L259 PolarHBondContact O-N 3.49Å; L259-D261 PolarHBondContact O-N 2.91Å; L259-Y262 PolarHBondContact O-N 2.93Å; L259-N263 VanDerWaalsContact O-CG 3.23Å; L259-N263 PolarHBondContact O-N 3.17Å; L259-N263 PolarHBondContact O-ND2 2.93Å; L259-L269 HydrophobicContact CD1-CD1 4.02Å
260P84.1Confident88.1Confident75 Ų7545 Ų4549%0.48724%0.235SC..Hα-helixtrans-61.7-39.5173.6-22.835.3000113.5V257 K258 N263 N264V257-P260 WeakPolarHBondContact O-CD 2.95Å; K258-P260 VanDerWaalsContact C-CD 3.41Å; K258-P260 VanDerWaalsContact C-N 3.3Å; P260-N263 PolarHBondContact O-N 2.62Å; P260-N264 PolarHBondContact O-N 3.27Å; P260-N264 PolarHBondContact O-ND2 3.01Å
261D83.5Confident88.1Confident74 Ų7445 Ų4540%0.39624%0.235SC..Hα-helixtrans-66.4-41.2178.7-66.3-20.3000111.1K258 L259 N264 R265K258-D261 WeakPolarHBondContact O-CA 3.35Å; K258-D261 WeakPolarHBondContact O-CB 3.42Å; K258-D261 PolarHBondContact O-N 2.76Å; L259-D261 PolarHBondContact O-N 2.91Å; D261-N264 PolarHBondContact O-N 2.88Å; D261-R265 WeakPolarHBondContact O-CG 3.24Å; D261-R265 PolarHBondContact O-N 3.46Å
262Y84.5Confident88.1Confident9 Ų945 Ų454%0.03524%0.235CC..Hα-helixtrans-63-45.5174.8-66.7-58.1000111.5L255 K258 L259 N264 R265 L266 R267 L269 E290L255-Y262 HydrophobicContact CD2-CE2 3.98Å; K258-Y262 HydrophobicContact CB-CD2 3.86Å; K258-Y262 HydrophobicContact CB-CE2 3.39Å; K258-Y262 HydrophobicContact CD-CE2 4.24Å; K258-Y262 HydrophobicContact CG-CE2 4.49Å; K258-Y262 WeakPolarHBondContact O-CD2 3.33Å; K258-Y262 PolarHBondContact O-N 3Å; L259-Y262 PolarHBondContact O-N 2.93Å; Y262-N264 VanDerWaalsContact C-N 3.31Å; Y262-N264 PolarHBondContact O-N 3.07Å; Y262-R265 CarbonylContact O-C 3.43Å; Y262-R265 WeakPolarHBondContact O-CA 3.15Å; Y262-R265 PolarHBondContact O-N 2.9Å; Y262-L266 PolarHBondContact O-N 2.97Å; Y262-L266 VanDerWaalsContact O-N 3.15Å; Y262-R267 HydrophobicContact CD1-CB 4.22Å; Y262-R267 HydrophobicContact CD1-CG 3.9Å; Y262-R267 PolarHBondContact O-N 2.73Å; Y262-L269 HydrophobicContact CD2-CD1 3.69Å; Y262-L269 HydrophobicContact CD2-CD2 4.44Å; Y262-L269 HydrophobicContact CD2-CG 4.24Å; Y262-L269 HydrophobicContact CE2-CD1 3.95Å; Y262-L269 HydrophobicContact CG-CD1 4.4Å; Y262-L269 HydrophobicContact CG-CG 4.49Å; Y262-E290 PolarHBondContact OH-OE1 3Å
263N82.6Confident88.2Confident96 Ų9645.8 Ų45.851%0.51324%0.238SC..Hα-helixtrans-60-40.6176.7-70.3-16.8000112.3L259 P260 R265 L266L259-N263 VanDerWaalsContact O-CG 3.23Å; L259-N263 PolarHBondContact O-N 3.17Å; L259-N263 PolarHBondContact O-ND2 2.93Å; P260-N263 PolarHBondContact O-N 2.62Å; N263-R265 PolarHBondContact O-N 2.86Å; N263-L266 PolarHBondContact O-N 2.82Å
264N81.6Confident88.4Confident136 Ų13645.9 Ų45.973%0.72724%0.239SC*.Hα-helixtrans-64.1-26.3176.6-71.4-24.2000112.8P260 D261 Y262P260-N264 PolarHBondContact O-N 3.27Å; P260-N264 PolarHBondContact O-ND2 3.01Å; D261-N264 PolarHBondContact O-N 2.88Å; Y262-N264 VanDerWaalsContact C-N 3.31Å; Y262-N264 PolarHBondContact O-N 3.07Å
265R81.3Confident88.7Confident145 Ų14546.8 Ų46.855%0.54724%0.244SC..THydrogen-bonded Turntrans-94.39.5174.8-64.4-177.9-174.4-172.91.5113.2D261 Y262 N263 R267 N636D261-R265 WeakPolarHBondContact O-CG 3.24Å; D261-R265 PolarHBondContact O-N 3.46Å; Y262-R265 CarbonylContact O-C 3.43Å; Y262-R265 WeakPolarHBondContact O-CA 3.15Å; Y262-R265 PolarHBondContact O-N 2.9Å; N263-R265 PolarHBondContact O-N 2.86Å; R265-R267 PolarHBondContact O-N 3.01Å; R265-R267 VanDerWaalsContact O-N 3.09Å; R265-N636 PolarHBondContact NH1-OD1 3.02Å
266L81.3Confident89Confident126 Ų12647.3 Ų47.366%0.6625%0.246SC*.THydrogen-bonded Turntrans55.724.9-175.2-55.1174.7000113.3Y262 N263 P639Y262-L266 PolarHBondContact O-N 2.97Å; Y262-L266 VanDerWaalsContact O-N 3.15Å; N263-L266 PolarHBondContact O-N 2.82Å; L266-P639 HydrophobicContact CB-CG 3.82Å; L266-P639 HydrophobicContact CD1-CG 4.45Å
267R84Confident89.3Confident22 Ų2246.5 Ų46.58%0.08324%0.241CC..  trans-88.8113.8178.5178.6158162-169.2-4.8109.4Y262 R265 G289 E290 D412 M635 N636Y262-R267 HydrophobicContact CD1-CB 4.22Å; Y262-R267 HydrophobicContact CD1-CG 3.9Å; Y262-R267 PolarHBondContact O-N 2.73Å; R265-R267 PolarHBondContact O-N 3.01Å; R265-R267 VanDerWaalsContact O-N 3.09Å; R267-G289 PolarHBondContact NE-O 3.24Å; R267-G289 PolarHBondContact NH2-O 2.76Å; R267-E290 IonicContact NH2-OE1 3Å; R267-E290 PolarHBondContact NH2-OE1 2.75Å; R267-D412 IonicContact CZ-OD2 3.82Å; R267-D412 IonicContact NH1-OD2 3.85Å; R267-D412 PolarHBondContact NH1-OD2 2.68Å; R267-D412 IonicContact NH2-OD2 2.84Å; R267-D412 PolarHBondContact NH2-OD2 2.9Å; R267-M635 VanDerWaalsContact CZ-CG 3.49Å; R267-M635 PolarHBondContact NH1-O 3.45Å; R267-M635 PolarHBondContact NH2-SD 2.95Å; R267-N636 PolarHBondContact NH1-OD1 3.17Å
268V84.5Confident89.7Confident106 Ų10647.5 Ų47.564%0.64225%0.248SC*.  trans-88128.4-179.5-178.50000109.8
269L92.3Very high90Very high7 Ų749.5 Ų49.54%0.03726%0.261CS..  trans-96.8127.1172-62.1-174.7000110.3G206 P207 L255 L259 Y262 E290G206-L269 CarbonylContact C-O 3.59Å; G206-L269 VanDerWaalsContact CA-O 3.27Å; G206-L269 WeakPolarHBondContact CA-O 3.31Å; G206-L269 PolarHBondContact N-O 2.7Å; P207-L269 HydrophobicContact CB-CD1 4Å; L255-L269 HydrophobicContact CB-CD1 4.27Å; L255-L269 HydrophobicContact CD1-CD1 4.49Å; L255-L269 HydrophobicContact CD2-CD1 4.48Å; L259-L269 HydrophobicContact CD1-CD1 4.02Å; Y262-L269 HydrophobicContact CD2-CD1 3.69Å; Y262-L269 HydrophobicContact CD2-CD2 4.44Å; Y262-L269 HydrophobicContact CD2-CG 4.24Å; Y262-L269 HydrophobicContact CE2-CD1 3.95Å; Y262-L269 HydrophobicContact CG-CD1 4.4Å; Y262-L269 HydrophobicContact CG-CG 4.49Å; L269-E290 HydrophobicContact CD2-CB 4.3Å; L269-E290 HydrophobicContact CD2-CG 3.68Å
270V94.5Very high90.5Very high14 Ų1448 Ų489%0.08526%0.255CS..EExtended strand (participates in β ladder)trans-156.3135.4-179.362.20000111K188 T272 M287 G288K188-V270 HydrophobicContact CB-CG2 4.22Å; K188-V270 HydrophobicContact CD-CG2 4.46Å; K188-V270 HydrophobicContact CG-CG2 3.38Å; V270-T272 HydrophobicContact CG1-CG2 3.94Å; V270-T272 PolarHBondContact O-N 2.84Å; V270-T272 VanDerWaalsContact O-N 3.1Å; V270-M287 CarbonylContact O-C 3.57Å; V270-G288 PolarHBondContact N-O 3.04Å; V270-G288 WeakPolarHBondContact O-CA 3.3Å; V270-G288 PolarHBondContact O-N 2.93Å
271A97.2Very high91.1Very high0 Ų046.7 Ų46.70%025%0.246CC..EExtended strand (participates in β ladder)trans-75.5101.1171.200000109.5C189 V209 V274 V285 M287C189-A271 PolarHBondContact SG-O 2.86Å; V209-A271 HydrophobicContact CG2-CB 3.76Å; A271-V274 HydrophobicContact CB-CG1 4.28Å; A271-V285 HydrophobicContact CB-CG1 3.92Å; A271-M287 HydrophobicContact CB-CE 4.12Å; A271-M287 HydrophobicContact CB-SD 4.26Å; A271-M287 PolarHBondContact N-SD 3.22Å
272T96.8Very high91.9Very high1 Ų143.9 Ų43.91%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-76.1-27.2-177.960.60000112.1R139 V270 N286 N535 D539 K541R139-T272 PolarHBondContact NH2-O 3.37Å; V270-T272 HydrophobicContact CG1-CG2 3.94Å; V270-T272 PolarHBondContact O-N 2.84Å; V270-T272 VanDerWaalsContact O-N 3.1Å; T272-N286 PolarHBondContact N-O 3.3Å; T272-N286 PolarHBondContact OG1-O 2.84Å; T272-N535 PolarHBondContact OG1-ND2 2.94Å; T272-D539 WeakPolarHBondContact CB-O 3.49Å; T272-K541 PolarHBondContact OG1-O 3.34Å; T272-K541 VanDerWaalsContact OG1-O 3.04Å
273Y98.3Very high92.5Very high17 Ų1743.5 Ų43.57%0.06723%0.229CC..EExtended strand (participates in β ladder)trans-149.2141.9176.4-163.9-109.4000112.1R139 C189 T275 V285 N286 K541 E542 A543 N544 Q587R139-Y273 VanDerWaalsContact CZ-CD2 3.47Å; C189-Y273 VanDerWaalsContact SG-CA 3.53Å; Y273-T275 HydrophobicContact CD1-CG2 4.41Å; Y273-T275 HydrophobicContact CE1-CG2 4Å; Y273-V285 WeakPolarHBondContact O-CA 3.21Å; Y273-N286 PolarHBondContact O-N 2.93Å; Y273-K541 VanDerWaalsContact CB-O 3.28Å; Y273-K541 WeakPolarHBondContact CB-O 3.45Å; Y273-E542 HydrophobicContact CD1-CB 4.18Å; Y273-E542 HydrophobicContact CD1-CG 4.49Å; Y273-E542 HydrophobicContact CD2-CB 4.33Å; Y273-E542 HydrophobicContact CD2-CG 3.79Å; Y273-E542 HydrophobicContact CE1-CB 4.23Å; Y273-E542 HydrophobicContact CE1-CG 4.44Å; Y273-E542 HydrophobicContact CE2-CB 4.38Å; Y273-E542 HydrophobicContact CE2-CG 3.73Å; Y273-E542 HydrophobicContact CG-CB 4.19Å; Y273-E542 HydrophobicContact CG-CG 4.14Å; Y273-A543 WeakPolarHBondContact CD1-O 3.46Å; Y273-A543 WeakPolarHBondContact CE1-O 3.33Å; Y273-N544 PolarHBondContact OH-ND2 2.96Å; Y273-Q587 PolarHBondContact OH-NE2 2.87Å
274V98.6Very high93.3Very high2 Ų239 Ų391%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-134.7136.4174.3-63.20000109.2C189 T191 A201 V209 A271 L283 L284 V285C189-V274 HydrophobicContact CB-CG2 4.35Å; T191-V274 HydrophobicContact CG2-CB 4.36Å; T191-V274 HydrophobicContact CG2-CG2 3.79Å; T191-V274 WeakPolarHBondContact CG2-O 3.31Å; A201-V274 HydrophobicContact CB-CG2 4.47Å; V209-V274 HydrophobicContact CG1-CG1 3.9Å; V209-V274 HydrophobicContact CG2-CG1 4.26Å; A271-V274 HydrophobicContact CB-CG1 4.28Å; V274-L283 HydrophobicContact CB-CD1 4.45Å; V274-L284 WeakPolarHBondContact CA-O 3.32Å; V274-V285 HydrophobicContact CG1-CG1 4.23Å; V274-V285 HydrophobicContact CG1-CG2 4.11Å
275T98.4Very high94.1Very high19 Ų1932.5 Ų32.512%0.11717%0.17CC..EExtended strand (participates in β ladder)trans-148.8141.9178-168.90000111Y273 L284 A543 F545Y273-T275 HydrophobicContact CD1-CG2 4.41Å; Y273-T275 HydrophobicContact CE1-CG2 4Å; T275-L284 HydrophobicContact CG2-CB 3.89Å; T275-L284 HydrophobicContact CG2-CD2 4.02Å; T275-L284 HydrophobicContact CG2-CG 4.46Å; T275-L284 PolarHBondContact N-O 3.08Å; T275-L284 PolarHBondContact O-N 2.7Å; T275-A543 WeakPolarHBondContact CG2-O 3.44Å; T275-F545 HydrophobicContact CG2-CD2 4.08Å; T275-F545 HydrophobicContact CG2-CE2 4.11Å
276F98.4Very high94.9Very high11 Ų1125.6 Ų25.65%0.04814%0.144CC..EExtended strand (participates in β ladder)trans-83.3151.6176.1-72-80.9000111T191 N193 P194 A201 L211 E282 L283 L297 F545T191-F276 HydrophobicContact CG2-CD2 3.57Å; T191-F276 HydrophobicContact CG2-CE2 3.6Å; N193-F276 VanDerWaalsContact CA-CE2 3.49Å; N193-F276 HydrophobicContact CB-CD1 4.21Å; N193-F276 HydrophobicContact CB-CD2 3.97Å; N193-F276 HydrophobicContact CB-CE1 4Å; N193-F276 HydrophobicContact CB-CE2 3.74Å; N193-F276 HydrophobicContact CB-CG 4.19Å; N193-F276 HydrophobicContact CB-CZ 3.76Å; P194-F276 HydrophobicContact CG-CB 4.37Å; A201-F276 HydrophobicContact CB-CE2 3.87Å; A201-F276 HydrophobicContact CB-CZ 3.68Å; L211-F276 HydrophobicContact CD1-CE1 3.98Å; L211-F276 HydrophobicContact CD1-CZ 3.54Å; F276-E282 WeakPolarHBondContact CA-O 3.42Å; F276-L283 HydrophobicContact CD1-CD1 3.92Å; F276-L283 HydrophobicContact CD2-CD1 4.4Å; F276-L283 HydrophobicContact CE1-CD1 3.88Å; F276-L283 HydrophobicContact CE2-CD1 4.38Å; F276-L283 HydrophobicContact CG-CD1 4.19Å; F276-L283 HydrophobicContact CZ-CD1 4.12Å; F276-L297 HydrophobicContact CD1-CD1 3.8Å; F276-L297 HydrophobicContact CE1-CD1 3.58Å; F276-F545 WeakPolarHBondContact O-CE2 3.23Å
277S97.4Very high95.7Very high0 Ų019.7 Ų19.70%011%0.113CC..  trans-60.1156.816659.40000110.5N279 G280 T281 E282S277-N279 WeakPolarHBondContact CB-OD1 3.43Å; S277-N279 PolarHBondContact O-N 3.38Å; S277-N279 PolarHBondContact OG-OD1 3.46Å; S277-G280 PolarHBondContact O-N 2.94Å; S277-G280 PolarHBondContact OG-N 3.48Å; S277-T281 PolarHBondContact OG-N 3.28Å; S277-E282 PolarHBondContact N-O 3.14Å; S277-E282 PolarHBondContact OG-N 2.77Å; S277-E282 PolarHBondContact OG-O 2.87Å
278P92.9Very high96.2Very high58 Ų5818.9 Ų18.938%0.37711%0.111SC..THydrogen-bonded Turntrans-55.8-26.7-179.5-28.835.9000115Q195Q195-P278 PolarHBondContact NE2-O 2.6Å
279N92.8Very high96.5Very high81 Ų8114 Ų1443%0.4338%0.083SC..THydrogen-bonded Turntrans-95.83.7176.368-13.5000113.6Q195 S277 T281Q195-N279 VanDerWaalsContact CG-O 3.28Å; Q195-N279 WeakPolarHBondContact CG-O 3.21Å; S277-N279 WeakPolarHBondContact CB-OD1 3.43Å; S277-N279 PolarHBondContact O-N 3.38Å; S277-N279 PolarHBondContact OG-OD1 3.46Å; N279-T281 VanDerWaalsContact CG-OG1 3.26Å; N279-T281 PolarHBondContact ND2-OG1 2.92Å; N279-T281 PolarHBondContact O-N 3.07Å; N279-T281 PolarHBondContact OD1-N 2.9Å; N279-T281 PolarHBondContact OD1-OG1 3.38Å
280G95.8Very high96.6Very high8 Ų813.7 Ų13.78%0.0828%0.081CC..SBendtrans69.310.1176.700000115.8N193 S277N193-G280 PolarHBondContact ND2-O 3.24Å; S277-G280 PolarHBondContact O-N 2.94Å; S277-G280 PolarHBondContact OG-N 3.48Å
281T97.3Very high96.7Very high48 Ų4813 Ų1329%0.2948%0.077SC..SBendtrans-94.1-10.6-175.761.60000114.2S277 N279 L297S277-T281 PolarHBondContact OG-N 3.28Å; N279-T281 VanDerWaalsContact CG-OG1 3.26Å; N279-T281 PolarHBondContact ND2-OG1 2.92Å; N279-T281 PolarHBondContact O-N 3.07Å; N279-T281 PolarHBondContact OD1-N 2.9Å; N279-T281 PolarHBondContact OD1-OG1 3.38Å; T281-L297 VanDerWaalsContact O-CB 3.24Å; T281-L297 WeakPolarHBondContact O-CB 3.45Å; T281-L297 WeakPolarHBondContact O-CG 3.35Å; T281-L297 PolarHBondContact O-N 3.49Å
282E98.3Very high96.8Very high16 Ų1613 Ų138%0.0758%0.077CC..EExtended strand (participates in β ladder)trans-133.9152-178.6-51.6168.4120.700109.6F276 S277 L294 F295 F545 K567F276-E282 WeakPolarHBondContact CA-O 3.42Å; S277-E282 PolarHBondContact N-O 3.14Å; S277-E282 PolarHBondContact OG-N 2.77Å; S277-E282 PolarHBondContact OG-O 2.87Å; E282-L294 HydrophobicContact CB-CD1 3.7Å; E282-L294 HydrophobicContact CB-CG 4.45Å; E282-F295 CarbonylContact C-O 3.54Å; E282-F295 VanDerWaalsContact CA-O 3.24Å; E282-F295 WeakPolarHBondContact CA-O 3.17Å; E282-F545 HydrophobicContact CB-CZ 4.42Å; E282-K567 VanDerWaalsContact CD-CE 3.47Å; E282-K567 VanDerWaalsContact CD-NZ 3.34Å; E282-K567 WeakPolarHBondContact OE1-CE 3.47Å; E282-K567 IonicContact OE1-NZ 3.59Å; E282-K567 PolarHBondContact OE1-NZ 2.98Å; E282-K567 WeakPolarHBondContact OE2-CE 3.29Å; E282-K567 IonicContact OE2-NZ 2.75Å; E282-K567 PolarHBondContact OE2-NZ 3.23Å; E282-K567 VanDerWaalsContact OE2-NZ 3.17Å
283L98.7Very high96.9Very high0 Ų013 Ų130%08%0.077CC..EExtended strand (participates in β ladder)trans-123.9115.3178.1-176.568.5000109.5A201 V209 V274 F276 V285 F295 L297A201-L283 HydrophobicContact CB-CD1 3.83Å; A201-L283 HydrophobicContact CB-CD2 4.11Å; V209-L283 HydrophobicContact CG1-CD2 3.75Å; V274-L283 HydrophobicContact CB-CD1 4.45Å; F276-L283 HydrophobicContact CD1-CD1 3.92Å; F276-L283 HydrophobicContact CD2-CD1 4.4Å; F276-L283 HydrophobicContact CE1-CD1 3.88Å; F276-L283 HydrophobicContact CE2-CD1 4.38Å; F276-L283 HydrophobicContact CG-CD1 4.19Å; F276-L283 HydrophobicContact CZ-CD1 4.12Å; L283-V285 HydrophobicContact CD2-CG2 4.39Å; L283-V285 HydrophobicContact CG-CG2 4.15Å; L283-F295 HydrophobicContact CB-CB 4.43Å; L283-F295 PolarHBondContact N-O 2.72Å; L283-F295 PolarHBondContact O-N 3.39Å; L283-L297 HydrophobicContact CB-CD1 4.25Å; L283-L297 HydrophobicContact CB-CD2 3.96Å; L283-L297 HydrophobicContact CB-CG 4.34Å
284L98.8Very high96.9Very high1 Ų112.2 Ų12.21%0.0057%0.074CC..EExtended strand (participates in β ladder)trans-91.3135.3175-173.273.4000109.5V274 T275 V292 Y293 L294 Y530 A543 F545 I553V274-L284 WeakPolarHBondContact CA-O 3.32Å; T275-L284 HydrophobicContact CG2-CB 3.89Å; T275-L284 HydrophobicContact CG2-CD2 4.02Å; T275-L284 HydrophobicContact CG2-CG 4.46Å; T275-L284 PolarHBondContact N-O 3.08Å; T275-L284 PolarHBondContact O-N 2.7Å; L284-V292 HydrophobicContact CD1-CG1 3.54Å; L284-V292 HydrophobicContact CG-CG1 3.97Å; L284-Y293 CarbonylContact C-O 3.48Å; L284-L294 HydrophobicContact CB-CD1 4.13Å; L284-L294 HydrophobicContact CD1-CB 4.08Å; L284-L294 HydrophobicContact CD1-CD1 4.19Å; L284-Y530 HydrophobicContact CD1-CD2 4.4Å; L284-Y530 HydrophobicContact CD1-CE2 4.04Å; L284-A543 HydrophobicContact CD2-CB 4.04Å; L284-A543 HydrophobicContact CG-CB 4.5Å; L284-F545 HydrophobicContact CB-CD2 4.38Å; L284-F545 HydrophobicContact CB-CE2 3.56Å; L284-F545 HydrophobicContact CB-CZ 3.7Å; L284-F545 HydrophobicContact CD2-CD2 4.39Å; L284-F545 HydrophobicContact CD2-CE2 4.33Å; L284-I553 HydrophobicContact CD1-CD1 4.08Å; L284-I553 HydrophobicContact CD1-CG1 4.49Å; L284-I553 HydrophobicContact CD1-CG2 4.02Å; L284-I553 HydrophobicContact CD2-CD1 4.16Å; L284-I553 HydrophobicContact CD2-CG2 3.9Å
285V98.7Very high96.9Very high0 Ų012.1 Ų12.10%07%0.073CC..EExtended strand (participates in β ladder)trans-134.1120-173.8-1800000109V209 A271 Y273 V274 L283 M287 V292 Y293 F295V209-V285 HydrophobicContact CB-CG2 4.42Å; V209-V285 HydrophobicContact CG1-CG2 4.33Å; V209-V285 HydrophobicContact CG2-CB 4.36Å; V209-V285 HydrophobicContact CG2-CG1 3.57Å; V209-V285 HydrophobicContact CG2-CG2 3.85Å; A271-V285 HydrophobicContact CB-CG1 3.92Å; Y273-V285 WeakPolarHBondContact O-CA 3.21Å; V274-V285 HydrophobicContact CG1-CG1 4.23Å; V274-V285 HydrophobicContact CG1-CG2 4.11Å; L283-V285 HydrophobicContact CD2-CG2 4.39Å; L283-V285 HydrophobicContact CG-CG2 4.15Å; V285-M287 HydrophobicContact CG1-CE 3.97Å; V285-V292 CarbonylContact O-C 3.5Å; V285-V292 WeakPolarHBondContact O-CA 3.15Å; V285-V292 WeakPolarHBondContact O-CG1 3.25Å; V285-Y293 PolarHBondContact N-O 2.91Å; V285-Y293 PolarHBondContact O-N 2.74Å; V285-F295 HydrophobicContact CB-CD2 4.5Å; V285-F295 HydrophobicContact CB-CE2 4.03Å; V285-F295 HydrophobicContact CG2-CD2 3.73Å; V285-F295 HydrophobicContact CG2-CE2 3.61Å
286N98.4Very high96.9Very high0 Ų012 Ų120%07%0.072CC..EExtended strand (participates in β ladder)trans-88.5111.1165.9-165.1-3.5000108.6T272 Y273 H533 N535 K541 A543T272-N286 PolarHBondContact N-O 3.3Å; T272-N286 PolarHBondContact OG1-O 2.84Å; Y273-N286 PolarHBondContact O-N 2.93Å; N286-H533 PolarHBondContact OD1-NE2 3.34Å; N286-N535 VanDerWaalsContact CG-ND2 3.35Å; N286-N535 PolarHBondContact OD1-ND2 3.01Å; N286-K541 PolarHBondContact ND2-O 2.92Å; N286-A543 HydrophobicContact CB-CB 3.87Å
287M97Very high96.8Very high3 Ų312.6 Ų12.62%0.0158%0.075CC..EExtended strand (participates in β ladder)trans-95.9115.3-178.9-168.6676400109.5P207 V209 V270 A271 V285 E290 Q291 Y293P207-M287 WeakPolarHBondContact O-CE 3.16Å; V209-M287 HydrophobicContact CG2-CE 4.33Å; V270-M287 CarbonylContact O-C 3.57Å; A271-M287 HydrophobicContact CB-CE 4.12Å; A271-M287 HydrophobicContact CB-SD 4.26Å; A271-M287 PolarHBondContact N-SD 3.22Å; V285-M287 HydrophobicContact CG1-CE 3.97Å; M287-E290 HydrophobicContact CB-CB 3.73Å; M287-E290 HydrophobicContact CG-CB 3.59Å; M287-E290 HydrophobicContact CG-CG 4.33Å; M287-E290 CarbonylContact O-C 3.48Å; M287-E290 VanDerWaalsContact O-C 3.23Å; M287-E290 WeakPolarHBondContact O-CA 3.28Å; M287-E290 PolarHBondContact O-N 3.36Å; M287-E290 VanDerWaalsContact O-O 3.07Å; M287-Q291 WeakPolarHBondContact CB-O 3.27Å; M287-Q291 PolarHBondContact N-O 3.33Å; M287-Y293 HydrophobicContact CB-CD2 4.15Å; M287-Y293 HydrophobicContact CB-CE2 4.22Å
288G94.1Very high96.8Very high4 Ų416.4 Ų16.44%0.04110%0.099CC..EExtended strand (participates in β ladder)trans-59.6137.8170.100000111V270 E290 N535V270-G288 PolarHBondContact N-O 3.04Å; V270-G288 WeakPolarHBondContact O-CA 3.3Å; V270-G288 PolarHBondContact O-N 2.93Å; G288-E290 PolarHBondContact O-N 2.91Å; G288-N535 CarbonylContact C-O 3.54Å; G288-N535 WeakPolarHBondContact CA-ND2 3.41Å; G288-N535 WeakPolarHBondContact CA-O 3.45Å; G288-N535 PolarHBondContact N-ND2 3.17Å
289G91.1Very high97Very high4 Ų422.4 Ų22.44%0.04112%0.115CC..THydrogen-bonded Turntrans65.118.4-168.300000112.8R267 N535R267-G289 PolarHBondContact NE-O 3.24Å; R267-G289 PolarHBondContact NH2-O 2.76Å; G289-N535 PolarHBondContact N-O 2.87Å
290E95Very high97.1Very high0 Ų022.8 Ų22.80%011%0.113CC..SBendtrans-156.6-167.9-174.7-101.8-55.9141.300111.3L255 Y262 R267 L269 M287 G288 Y293L255-E290 HydrophobicContact CD1-CG 4.07Å; L255-E290 VanDerWaalsContact CD2-CD 3.48Å; L255-E290 HydrophobicContact CD2-CG 3.59Å; Y262-E290 PolarHBondContact OH-OE1 3Å; R267-E290 IonicContact NH2-OE1 3Å; R267-E290 PolarHBondContact NH2-OE1 2.75Å; L269-E290 HydrophobicContact CD2-CB 4.3Å; L269-E290 HydrophobicContact CD2-CG 3.68Å; M287-E290 HydrophobicContact CB-CB 3.73Å; M287-E290 HydrophobicContact CG-CB 3.59Å; M287-E290 HydrophobicContact CG-CG 4.33Å; M287-E290 CarbonylContact O-C 3.48Å; M287-E290 VanDerWaalsContact O-C 3.23Å; M287-E290 WeakPolarHBondContact O-CA 3.28Å; M287-E290 PolarHBondContact O-N 3.36Å; M287-E290 VanDerWaalsContact O-O 3.07Å; G288-E290 PolarHBondContact O-N 2.91Å; E290-Y293 HydrophobicContact CB-CE2 4.25Å; E290-Y293 PolarHBondContact OE2-OH 3.03Å
291Q97.3Very high96.8Very high0 Ų025.6 Ų25.60%012%0.124CC..  trans-85.4175.6179-53.6-50.5-45.700113.4M287 Y293 R529 C531 M635M287-Q291 WeakPolarHBondContact CB-O 3.27Å; M287-Q291 PolarHBondContact N-O 3.33Å; Q291-Y293 HydrophobicContact CB-CE2 4Å; Q291-Y293 VanDerWaalsContact O-CD2 3.25Å; Q291-Y293 WeakPolarHBondContact O-CD2 3.34Å; Q291-Y293 WeakPolarHBondContact O-CE2 3.29Å; Q291-R529 HydrophobicContact CB-CG 3.82Å; Q291-R529 HydrophobicContact CG-CG 4.19Å; Q291-C531 VanDerWaalsContact OE1-CA 3.28Å; Q291-M635 PolarHBondContact NE2-SD 2.67Å; Q291-M635 VanDerWaalsContact NE2-SD 3.42Å
292V98.7Very high96.5Very high0 Ų028.5 Ų28.50%013%0.129CC..EExtended strand (participates in β ladder)trans-84.1131.6165.1-1750000109.1L284 V285 R529 Y530 H533 A543L284-V292 HydrophobicContact CD1-CG1 3.54Å; L284-V292 HydrophobicContact CG-CG1 3.97Å; V285-V292 CarbonylContact O-C 3.5Å; V285-V292 WeakPolarHBondContact O-CA 3.15Å; V285-V292 WeakPolarHBondContact O-CG1 3.25Å; V292-R529 WeakPolarHBondContact O-CA 3.39Å; V292-Y530 HydrophobicContact CB-CD2 4.22Å; V292-Y530 HydrophobicContact CG1-CD2 4.08Å; V292-Y530 PolarHBondContact N-O 3.24Å; V292-Y530 PolarHBondContact O-N 3.42Å; V292-H533 VanDerWaalsContact CG2-CE1 3.41Å; V292-H533 WeakPolarHBondContact CG2-CE1 3.5Å; V292-A543 HydrophobicContact CG1-CB 3.88Å; V292-A543 HydrophobicContact CG2-CB 4.05Å
293Y98.8Very high96.1Very high1 Ų127.9 Ų27.90%0.00413%0.127CC..EExtended strand (participates in β ladder)trans-119.7140.9-178.7-65.3-82.4000111A252 H254 L284 V285 M287 E290 Q291 Y526 R529A252-Y293 HydrophobicContact CB-CD1 3.74Å; A252-Y293 HydrophobicContact CB-CD2 4.37Å; A252-Y293 HydrophobicContact CB-CE1 3.38Å; A252-Y293 HydrophobicContact CB-CE2 4.1Å; A252-Y293 HydrophobicContact CB-CG 4.22Å; H254-Y293 PolarHBondContact CE1-OH 3.02Å; H254-Y293 VanDerWaalsContact CE1-OH 3.31Å; L284-Y293 CarbonylContact C-O 3.48Å; V285-Y293 PolarHBondContact N-O 2.91Å; V285-Y293 PolarHBondContact O-N 2.74Å; M287-Y293 HydrophobicContact CB-CD2 4.15Å; M287-Y293 HydrophobicContact CB-CE2 4.22Å; E290-Y293 HydrophobicContact CB-CE2 4.25Å; E290-Y293 PolarHBondContact OE2-OH 3.03Å; Q291-Y293 HydrophobicContact CB-CE2 4Å; Q291-Y293 VanDerWaalsContact O-CD2 3.25Å; Q291-Y293 WeakPolarHBondContact O-CD2 3.34Å; Q291-Y293 WeakPolarHBondContact O-CE2 3.29Å; Y293-Y526 AromaticContact CD1-CD1 3.64Å; Y293-Y526 HydrophobicContact CD1-CD1 3.64Å; Y293-Y526 HydrophobicContact CD1-CD2 4.02Å; Y293-Y526 HydrophobicContact CD1-CE1 4.03Å; Y293-Y526 HydrophobicContact CD1-CE2 4.37Å; Y293-Y526 AromaticContact CD1-CG 3.61Å; Y293-Y526 HydrophobicContact CD1-CG 3.61Å; Y293-Y526 AromaticContact CE1-CD1 3.88Å; Y293-Y526 HydrophobicContact CE1-CD1 3.88Å; Y293-Y526 AromaticContact CE1-CE1 3.8Å; Y293-Y526 HydrophobicContact CE1-CE1 3.8Å; Y293-Y526 HydrophobicContact CE1-CE2 4.48Å; Y293-Y526 HydrophobicContact CE1-CG 4.24Å; Y293-R529 HydrophobicContact CD1-CB 4.13Å; Y293-R529 HydrophobicContact CD1-CG 3.98Å; Y293-R529 HydrophobicContact CE1-CB 4.14Å; Y293-R529 VanDerWaalsContact CE1-CD 3.42Å; Y293-R529 HydrophobicContact CE1-CG 3.62Å
294L98.8Very high95.1Very high0 Ų031.9 Ų31.90%014%0.142CC..EExtended strand (participates in β ladder)trans-117.8122.4173.717864.1000109.8E282 L284 Q527 F528 Y530 F545 K567E282-L294 HydrophobicContact CB-CD1 3.7Å; E282-L294 HydrophobicContact CB-CG 4.45Å; L284-L294 HydrophobicContact CB-CD1 4.13Å; L284-L294 HydrophobicContact CD1-CB 4.08Å; L284-L294 HydrophobicContact CD1-CD1 4.19Å; L294-Q527 WeakPolarHBondContact O-CB 3.42Å; L294-Q527 PolarHBondContact O-N 3.41Å; L294-F528 HydrophobicContact CB-CB 4.26Å; L294-F528 HydrophobicContact CD2-CD2 3.96Å; L294-F528 PolarHBondContact N-O 2.72Å; L294-F528 PolarHBondContact O-N 3.39Å; L294-Y530 HydrophobicContact CB-CE2 3.85Å; L294-Y530 HydrophobicContact CD2-CE2 4.5Å; L294-Y530 WeakPolarHBondContact CD2-OH 3.5Å; L294-F545 HydrophobicContact CD1-CE1 3.89Å; L294-F545 HydrophobicContact CD1-CZ 3.56Å; L294-F545 HydrophobicContact CD2-CE1 4.42Å; L294-K567 HydrophobicContact CD2-CD 4.19Å; L294-K567 VanDerWaalsContact CD2-CE 3.45Å; L294-K567 HydrophobicContact CD2-CG 4.05Å
295F98.6Very high93.4Very high1 Ų132.1 Ų32.10%0.00414%0.144CC..EExtended strand (participates in β ladder)trans-103.3132.3179.6-61-87.1000110.6Y250 E282 L283 V285 D525 Y526Y250-F295 HydrophobicContact CD1-CB 3.85Å; Y250-F295 AromaticContact CD1-CD1 3.79Å; Y250-F295 HydrophobicContact CD1-CD1 3.79Å; Y250-F295 AromaticContact CD1-CG 3.98Å; Y250-F295 HydrophobicContact CD1-CG 3.98Å; Y250-F295 HydrophobicContact CE1-CB 4.4Å; Y250-F295 HydrophobicContact CG-CB 4.43Å; Y250-F295 HydrophobicContact CG-CD1 4.18Å; Y250-F295 HydrophobicContact CG-CG 4.27Å; E282-F295 CarbonylContact C-O 3.54Å; E282-F295 VanDerWaalsContact CA-O 3.24Å; E282-F295 WeakPolarHBondContact CA-O 3.17Å; L283-F295 HydrophobicContact CB-CB 4.43Å; L283-F295 PolarHBondContact N-O 2.72Å; L283-F295 PolarHBondContact O-N 3.39Å; V285-F295 HydrophobicContact CB-CD2 4.5Å; V285-F295 HydrophobicContact CB-CE2 4.03Å; V285-F295 HydrophobicContact CG2-CD2 3.73Å; V285-F295 HydrophobicContact CG2-CE2 3.61Å; F295-D525 WeakPolarHBondContact CD1-O 3.28Å; F295-Y526 VanDerWaalsContact CD1-CA 3.49Å
296D98Very high91.4Very high16 Ų1632.5 Ų32.59%0.08615%0.145CC..EExtended strand (participates in β ladder)trans-85.5120.7171.9-169.5-34.6000109T298 Y299 Q527D296-T298 WeakPolarHBondContact OD1-CA 3.41Å; D296-T298 WeakPolarHBondContact OD1-CB 3.45Å; D296-T298 PolarHBondContact OD1-N 3.08Å; D296-Y299 PolarHBondContact OD1-N 3.22Å; D296-Q527 HydrophobicContact CB-CB 4.26Å
297L97.5Very high88.9Confident23 Ų2333.7 Ų33.712%0.1215%0.152CC..SBendtrans-88.4-10.8-178.7-50.2177.7000112.3L211 Y250 F276 T281 L283 K300L211-L297 HydrophobicContact CD2-CD2 4.44Å; Y250-L297 HydrophobicContact CE1-CD2 3.74Å; Y250-L297 HydrophobicContact CE2-CD2 3.96Å; Y250-L297 VanDerWaalsContact CZ-CD2 3.41Å; Y250-L297 WeakPolarHBondContact OH-CD2 3.16Å; F276-L297 HydrophobicContact CD1-CD1 3.8Å; F276-L297 HydrophobicContact CE1-CD1 3.58Å; T281-L297 VanDerWaalsContact O-CB 3.24Å; T281-L297 WeakPolarHBondContact O-CB 3.45Å; T281-L297 WeakPolarHBondContact O-CG 3.35Å; T281-L297 PolarHBondContact O-N 3.49Å; L283-L297 HydrophobicContact CB-CD1 4.25Å; L283-L297 HydrophobicContact CB-CD2 3.96Å; L283-L297 HydrophobicContact CB-CG 4.34Å; L297-K300 WeakPolarHBondContact O-CE 3.49Å
298T96.6Very high85.9Confident80 Ų8038.3 Ų38.349%0.49118%0.176SC..SBendtrans-97.6-55-179.9-52.20000110.7D296 K300D296-T298 WeakPolarHBondContact OD1-CA 3.41Å; D296-T298 WeakPolarHBondContact OD1-CB 3.45Å; D296-T298 PolarHBondContact OD1-N 3.08Å; T298-K300 PolarHBondContact O-N 2.83Å
299Y96.4Very high82.9Confident184 Ų18443.3 Ų43.372%0.72221%0.208SC*.SBendtrans-103.665.2179.7-57.6-71.9000110.4D296D296-Y299 PolarHBondContact OD1-N 3.22Å
300K94.9Very high79.9Confident90 Ų9049.7 Ų49.739%0.39123%0.231SC..  trans-63.7138-177.2-51.9178.1-168.6174.60110.6Y250 L297 T298 Y524Y250-K300 WeakPolarHBondContact OH-CE 3.5Å; L297-K300 WeakPolarHBondContact O-CE 3.49Å; T298-K300 PolarHBondContact O-N 2.83Å; K300-Y524 HydrophobicContact CB-CD1 3.62Å; K300-Y524 HydrophobicContact CB-CD2 4.03Å; K300-Y524 HydrophobicContact CB-CE1 3.79Å; K300-Y524 HydrophobicContact CB-CE2 4.17Å; K300-Y524 HydrophobicContact CB-CG 3.75Å; K300-Y524 HydrophobicContact CD-CD2 3.62Å; K300-Y524 HydrophobicContact CD-CE1 4.46Å; K300-Y524 HydrophobicContact CD-CE2 3.41Å; K300-Y524 VanDerWaalsContact CD-CE2 3.41Å; K300-Y524 HydrophobicContact CD-CG 4.24Å; K300-Y524 HydrophobicContact CG-CD2 4.26Å; K300-Y524 HydrophobicContact CG-CE2 4.36Å; K300-Y524 HydrophobicContact CG-CG 4.42Å
301Q91Very high76.5Confident66 Ų6658.5 Ų58.531%0.30827%0.269SS..  trans-124.6135.5179.828.7-174.3-23.900108.7Y524 D525Q301-Y524 CarbonylContact O-C 3.53Å; Q301-Y524 WeakPolarHBondContact O-CA 3.16Å; Q301-D525 PolarHBondContact O-N 3.15Å
302R91.1Very high73Confident110 Ų11063.8 Ų63.842%0.41530%0.304SS..  trans-75.5144.1177.2-72.9-174175.1-88.9-2.9109.4Y524R302-Y524 HydrophobicContact CG-CD1 4.2Å; R302-Y524 HydrophobicContact CG-CE1 4.11Å
303P88.3Confident69.5Low2 Ų272.2 Ų72.21%0.01334%0.344CS..  trans-63.6145.3172.7-6.116.7000110.4V251 T305 S523 D525V251-P303 HydrophobicContact CG1-CG 4.18Å; P303-T305 HydrophobicContact CB-CG2 3.75Å; P303-T305 HydrophobicContact CG-CG2 4.38Å; P303-T305 PolarHBondContact O-N 2.67Å; P303-S523 WeakPolarHBondContact CD-O 3.4Å; P303-D525 HydrophobicContact CB-CB 3.85Å; P303-D525 HydrophobicContact CG-CB 3.88Å
304Y78.5Confident66Low84 Ų8477.3 Ų77.333%0.32938%0.379SS..  trans-7476.9167.6-59.9-71.7000108.7F306 Y416 L419 R420 L423Y304-F306 WeakPolarHBondContact O-CE2 3.48Å; Y304-Y416 PolarHBondContact N-OH 3.22Å; Y304-L419 HydrophobicContact CD2-CD2 3.98Å; Y304-L419 HydrophobicContact CG-CD2 4.01Å; Y304-R420 HydrophobicContact CD2-CG 3.93Å; Y304-R420 HydrophobicContact CE2-CG 3.99Å; Y304-L423 HydrophobicContact CD1-CD1 3.4Å; Y304-L423 VanDerWaalsContact CD1-CD1 3.4Å; Y304-L423 HydrophobicContact CD2-CD1 3.78Å; Y304-L423 HydrophobicContact CE1-CD1 3.42Å; Y304-L423 VanDerWaalsContact CE1-CD1 3.42Å; Y304-L423 HydrophobicContact CE2-CD1 3.78Å; Y304-L423 HydrophobicContact CG-CD1 3.58Å
305T63Low62.4Low6 Ų683.6 Ų83.64%0.03742%0.423CS..  trans-100.6127.8179.150.20000110.5P303 L338P303-T305 HydrophobicContact CB-CG2 3.75Å; P303-T305 HydrophobicContact CG-CG2 4.38Å; P303-T305 PolarHBondContact O-N 2.67Å; T305-L338 HydrophobicContact CG2-CD2 3.52Å; T305-L338 VanDerWaalsContact OG1-CD2 3.3Å; T305-L338 WeakPolarHBondContact OG1-CD2 3.33Å
306F57.6Low58.8Low8 Ų886.5 Ų86.54%0.03545%0.454CS..  trans-12077176.1-46.9-84.3000107.9Y304 F343 L419 L443 Y448 E451Y304-F306 WeakPolarHBondContact O-CE2 3.48Å; F306-F343 HydrophobicContact CD1-CB 4.42Å; F306-F343 HydrophobicContact CE1-CB 3.91Å; F306-F343 AromaticContact CE1-CD2 3.5Å; F306-F343 HydrophobicContact CE1-CD2 3.5Å; F306-F343 HydrophobicContact CE1-CE2 4.33Å; F306-F343 HydrophobicContact CE1-CG 4.01Å; F306-F343 AromaticContact CZ-CD2 3.84Å; F306-F343 HydrophobicContact CZ-CD2 3.84Å; F306-F343 HydrophobicContact CZ-CE2 4.26Å; F306-L419 HydrophobicContact CE2-CD1 4.33Å; F306-L443 HydrophobicContact CD2-CD2 3.57Å; F306-L443 HydrophobicContact CE2-CD2 3.39Å; F306-L443 HydrophobicContact CG-CD2 4.34Å; F306-L443 HydrophobicContact CZ-CD2 4.02Å; F306-Y448 HydrophobicContact CB-CD1 3.67Å; F306-Y448 HydrophobicContact CB-CE1 4.03Å; F306-Y448 HydrophobicContact CB-CG 4.06Å; F306-Y448 HydrophobicContact CD2-CD1 4.26Å; F306-Y448 AromaticContact CD2-CD2 3.9Å; F306-Y448 HydrophobicContact CD2-CD2 3.9Å; F306-Y448 HydrophobicContact CD2-CE1 4.42Å; F306-Y448 HydrophobicContact CD2-CE2 4.06Å; F306-Y448 AromaticContact CD2-CG 3.98Å; F306-Y448 HydrophobicContact CD2-CG 3.98Å; F306-Y448 HydrophobicContact CG-CD1 4.46Å; F306-Y448 HydrophobicContact CG-CG 4.45Å; F306-Y448 WeakPolarHBondContact O-CD1 3.27Å; F306-Y448 WeakPolarHBondContact O-CE1 3.48Å; F306-E451 HydrophobicContact CB-CB 4.42Å; F306-E451 HydrophobicContact CB-CG 3.65Å; F306-E451 WeakPolarHBondContact CB-OE1 2.84Å; F306-E451 HydrophobicContact CD1-CB 4.49Å; F306-E451 HydrophobicContact CD1-CG 4.06Å; F306-E451 HydrophobicContact CG-CB 4.43Å; F306-E451 HydrophobicContact CG-CG 4.03Å
307L45.6Very low55.3Low25 Ų2594.7 Ų94.713%0.13149%0.491CS..PPolyproline II helixtrans-86.6139-178.4-66-170.5000110.8L336 L338L307-L336 HydrophobicContact CD1-CB 4.44Å; L307-L336 WeakPolarHBondContact CD1-O 3.4Å; L307-L338 HydrophobicContact CB-CB 4.21Å; L307-L338 HydrophobicContact CD1-CB 3.45Å; L307-L338 VanDerWaalsContact CD1-CB 3.45Å; L307-L338 HydrophobicContact CD1-CD1 3.42Å; L307-L338 VanDerWaalsContact CD1-CD1 3.42Å; L307-L338 HydrophobicContact CD1-CG 3.9Å; L307-L338 HydrophobicContact CG-CB 3.87Å
308L33.3Very low51.8Low100 Ų10099.8 Ų99.852%0.52452%0.523SS..PPolyproline II helixtrans-58.6132.6-179.8-71.5151.8000110.8R310L308-R310 PolarHBondContact O-N 2.79Å
309P30Very low48.4Very low110 Ų110105.4 Ų105.471%0.71454%0.544SS*.PPolyproline II helixtrans-68.9128173.3-12.925.9000111.3K311P309-K311 PolarHBondContact O-N 3.38Å
310R28.6Very low45Very low137 Ų137104.3 Ų104.352%0.51755%0.551SS.*PPolyproline II helixtrans-61.5125.5139.8-78.9176.4174179.83.5107.3L308 C312 S333 H337L308-R310 PolarHBondContact O-N 2.79Å; R310-C312 VanDerWaalsContact C-N 3.25Å; R310-C312 PolarHBondContact O-N 3.3Å; R310-S333 PolarHBondContact NH2-O 3.5Å; R310-S333 VanDerWaalsContact NH2-O 3.16Å; R310-H337 VanDerWaalsContact CB-CE1 3.42Å; R310-H337 WeakPolarHBondContact CB-CE1 3.36Å; R310-H337 WeakPolarHBondContact CB-NE2 3.34Å; R310-H337 WeakPolarHBondContact CD-NE2 3.4Å; R310-H337 WeakPolarHBondContact CG-NE2 3.2Å; R310-H337 PolarHBondContact N-CE1 2.84Å; R310-H337 PolarHBondContact N-NE2 3.29Å
311K24.6Very low41.7Very low186 Ų186103.5 Ų103.581%0.80957%0.567SS**  trans-59.294.2158.4-71.3178.3179175.50107.3P309 H313P309-K311 PolarHBondContact O-N 3.38Å; K311-H313 PolarHBondContact O-N 3.49Å
312C23.1Very low38.6Very low110 Ų110110.6 Ų110.674%0.74360%0.597SS**  trans-67.3112.3157-81.10000105.7R310 S314R310-C312 VanDerWaalsContact C-N 3.25Å; R310-C312 PolarHBondContact O-N 3.3Å; C312-S314 PolarHBondContact O-N 3.03Å
313H24.3Very low35.2Very low178 Ų178113.8 Ų113.882%0.82462%0.619SS**  trans-61.689.6161.4-70.6-72.6000107.2K311 S315K311-H313 PolarHBondContact O-N 3.49Å; H313-S315 PolarHBondContact O-N 2.83Å; H313-S315 VanDerWaalsContact O-N 3.12Å
314S25.4Very low32.1Very low107 Ų107119.8 Ų119.875%0.74866%0.661SS**  trans-65.3107.1158.542.60000106.1C312 G316C312-S314 PolarHBondContact O-N 3.03Å; S314-G316 PolarHBondContact O-N 2.82Å
315S24.1Very low29.4Very low132 Ų132120.9 Ų120.992%0.92368%0.677SS**  trans-47.2103.4167.1-540000109.1H313H313-S315 PolarHBondContact O-N 2.83Å; H313-S315 VanDerWaalsContact O-N 3.12Å
316G23.9Very low27.4Very low63 Ų63128.4 Ų128.465%0.64972%0.717SS**  trans-160.292.7-175.700000110.4S314S314-G316 PolarHBondContact O-N 2.82Å
317E23.6Very low25.8Very low187 Ų187131.5 Ų131.587%0.87475%0.751SS**  trans6093.7149-61.5-173.8149.900119.5
318V23.4Very low24.7Very low130 Ų130137 Ų13779%0.78879%0.785SS**  22.9104.9122.1-1690000115.9
319Q26.4Very low24.3Very low198 Ų198137.7 Ų137.793%0.92580%0.798SS**  trans-141.9128.4139.3-106.8172.143.600110.5
320N24.2Very low24Very low162 Ų162140 Ų14087%0.86681%0.805SS**  trans-46.2136.7-171.1-69.6-38.1000116.3
321G25.3Very low23.9Very low72 Ų72136.4 Ų136.474%0.74281%0.81SS**  trans142102.2143.300000116.8
322K25.8Very low23.8Very low215 Ų215132.3 Ų132.394%0.93580%0.8SS**  trans87.1110.7159.6-60.8180176.7177.10118
323M19.9Very low24Very low177 Ų177130.6 Ų130.687%0.87279%0.79SS**  trans-46.4132.1161.5-82.315212500112.8
324S24.2Very low24.1Very low128 Ų128129.3 Ų129.390%0.89579%0.789SS**  -141.2121.7124.5-101.80000108.3
325T20.1Very low24.3Very low107 Ų107126.3 Ų126.366%0.65678%0.775SS**  trans-83.9146.3-179.845.80000111.6
326N22Very low24.6Very low165 Ų165121.6 Ų121.688%0.88274%0.739SS**  trans96.2114.7157.2-58.6-14.8000118.4
327G24.3Very low25Very low72 Ų72121.2 Ų121.274%0.74272%0.72SS**  trans168.577.416300000113S329G327-S329 PolarHBondContact O-N 3.18Å
328V23.2Very low25.6Very low140 Ų140112.7 Ų112.785%0.84868%0.681SS**  trans-62.8111.5174.8-174.30000109.3N330V328-N330 PolarHBondContact O-N 3.01Å
329S24.6Very low25.9Very low115 Ų115113.9 Ų113.980%0.80468%0.678SS**  trans-80.793.2-177.746.50000111.9G327 G331G327-S329 PolarHBondContact O-N 3.18Å; S329-G331 PolarHBondContact O-N 3.49Å
330N22.2Very low26.3Very low159 Ų159107.5 Ų107.585%0.8566%0.655SS**  trans-85.184.6164.1-89.7-16.3000109.7V328V328-N330 PolarHBondContact O-N 3.01Å
331G26.8Very low26.9Very low62 Ų62103.5 Ų103.564%0.63963%0.633SS**  trans-130.178.3-179.200000112.2S329 S333S329-G331 PolarHBondContact O-N 3.49Å; G331-S333 PolarHBondContact O-N 3.38Å; G331-S333 VanDerWaalsContact O-N 3.16Å
332V23.6Very low27.6Very low99 Ų99103 Ų10360%0.663%0.628SS**  trans-78.193-178.3-160.80000109.7
333S26.2Very low28.4Very low75 Ų7595.2 Ų95.252%0.52459%0.594SS.*  trans-90.9117.6162.945.40000109.2R310 G331 G335R310-S333 PolarHBondContact NH2-O 3.5Å; R310-S333 VanDerWaalsContact NH2-O 3.16Å; G331-S333 PolarHBondContact O-N 3.38Å; G331-S333 VanDerWaalsContact O-N 3.16Å; S333-G335 PolarHBondContact O-N 3.3Å
334N26.3Very low29.8Very low150 Ų15096.5 Ų96.580%0.80259%0.589SS**  trans-73.141.8169.7-83.92.2000111.3
335G29.5Very low31.3Very low44 Ų4491.4 Ų91.445%0.45455%0.552SS.*PPolyproline II helixtrans-84.1120.4172.800000108.6S333 H337S333-G335 PolarHBondContact O-N 3.3Å; G335-H337 PolarHBondContact O-N 3.39Å
336L31.1Very low32.8Very low33 Ų3389.7 Ų89.717%0.17354%0.543CS..PPolyproline II helixtrans-51.4127.6161.4-83.783.2000107.6F208 L307 L338 R520F208-L336 HydrophobicContact CE2-CD2 4.19Å; F208-L336 HydrophobicContact CZ-CD2 3.76Å; L307-L336 HydrophobicContact CD1-CB 4.44Å; L307-L336 WeakPolarHBondContact CD1-O 3.4Å; L336-L338 HydrophobicContact CB-CD1 4.41Å; L336-L338 HydrophobicContact CD2-CD1 4.35Å; L336-R520 HydrophobicContact CD2-CB 3.56Å; L336-R520 HydrophobicContact CD2-CG 4.17Å
337H31.7Very low34Very low55 Ų5588.5 Ų88.526%0.25553%0.532SS..PPolyproline II helixtrans-73.3146.2158.9-92.6-111.3000107.4R310 G335 E521R310-H337 VanDerWaalsContact CB-CE1 3.42Å; R310-H337 WeakPolarHBondContact CB-CE1 3.36Å; R310-H337 WeakPolarHBondContact CB-NE2 3.34Å; R310-H337 WeakPolarHBondContact CD-NE2 3.4Å; R310-H337 WeakPolarHBondContact CG-NE2 3.2Å; R310-H337 PolarHBondContact N-CE1 2.84Å; R310-H337 PolarHBondContact N-NE2 3.29Å; G335-H337 PolarHBondContact O-N 3.39Å; H337-E521 WeakPolarHBondContact CB-OE1 3.49Å; H337-E521 WeakPolarHBondContact O-CG 3.24Å
338L36Very low35.1Very low9 Ų989 Ų895%0.04752%0.524CS..  trans-136130.9161.5-99.280.3000103T305 L307 L336 S340 E521T305-L338 HydrophobicContact CG2-CD2 3.52Å; T305-L338 VanDerWaalsContact OG1-CD2 3.3Å; T305-L338 WeakPolarHBondContact OG1-CD2 3.33Å; L307-L338 HydrophobicContact CB-CB 4.21Å; L307-L338 HydrophobicContact CD1-CB 3.45Å; L307-L338 VanDerWaalsContact CD1-CB 3.45Å; L307-L338 HydrophobicContact CD1-CD1 3.42Å; L307-L338 VanDerWaalsContact CD1-CD1 3.42Å; L307-L338 HydrophobicContact CD1-CG 3.9Å; L307-L338 HydrophobicContact CG-CB 3.87Å; L336-L338 HydrophobicContact CB-CD1 4.41Å; L336-L338 HydrophobicContact CD2-CD1 4.35Å; L338-S340 PolarHBondContact O-N 3.22Å; L338-E521 HydrophobicContact CD1-CG 4.07Å; L338-E521 HydrophobicContact CG-CB 4.24Å; L338-E521 HydrophobicContact CG-CG 4.04Å
339H31.5Very low36.2Very low155 Ų15593.5 Ų93.572%0.71853%0.525SS*.  trans-50.2118.9170.1-77.5-86.8000108.9N341 E521H339-N341 PolarHBondContact O-N 2.75Å; H339-E521 IonicContact CD2-OE2 2.76Å
340S34.5Very low37.4Very low63 Ų6390.3 Ų90.344%0.44151%0.511SS..  trans-54.5115167.1179.80000106.5L338 G342L338-S340 PolarHBondContact O-N 3.22Å; S340-G342 PolarHBondContact O-N 2.88Å
341N35.7Very low38.8Very low79 Ų7991.7 Ų91.742%0.42251%0.512SS..  trans-66.184.9163.4-81.5-29.4000104.6H339 F343H339-N341 PolarHBondContact O-N 2.75Å; N341-F343 PolarHBondContact O-N 2.99Å
342G40.8Very low40Very low61 Ų6192.9 Ų92.963%0.62951%0.506SS*.  trans-34.2108.8-168.500000110.4S340 R344S340-G342 PolarHBondContact O-N 2.88Å; G342-R344 VanDerWaalsContact C-N 3.27Å; G342-R344 PolarHBondContact O-N 3.41Å
343F42.6Very low41.6Very low51 Ų5191.4 Ų91.422%0.22450%0.501CS..  trans-66.491.8-171.3-177.7-99.6000108.1F306 N341 L345 L423 L439 C455F306-F343 HydrophobicContact CD1-CB 4.42Å; F306-F343 HydrophobicContact CE1-CB 3.91Å; F306-F343 AromaticContact CE1-CD2 3.5Å; F306-F343 HydrophobicContact CE1-CD2 3.5Å; F306-F343 HydrophobicContact CE1-CE2 4.33Å; F306-F343 HydrophobicContact CE1-CG 4.01Å; F306-F343 AromaticContact CZ-CD2 3.84Å; F306-F343 HydrophobicContact CZ-CD2 3.84Å; F306-F343 HydrophobicContact CZ-CE2 4.26Å; N341-F343 PolarHBondContact O-N 2.99Å; F343-L345 HydrophobicContact CD1-CG 4.49Å; F343-L345 HydrophobicContact CE1-CD1 3.84Å; F343-L345 HydrophobicContact CE1-CD2 4.18Å; F343-L345 HydrophobicContact CE1-CG 3.65Å; F343-L345 HydrophobicContact CE2-CD2 4.32Å; F343-L345 HydrophobicContact CZ-CD1 4.09Å; F343-L345 HydrophobicContact CZ-CD2 3.68Å; F343-L345 HydrophobicContact CZ-CG 3.69Å; F343-L423 HydrophobicContact CE2-CD2 4.03Å; F343-L439 HydrophobicContact CE2-CD2 4.13Å; F343-L439 HydrophobicContact CZ-CD2 3.66Å; F343-L439 HydrophobicContact CZ-CG 4.41Å; F343-C455 HydrophobicContact CE1-CB 4.4Å
344R48.3Very low43.1Very low204 Ų20493.2 Ų93.277%0.7751%0.511SS*.  trans-108.6108.2164-70.1-165.5-175.7-166.55106.4G342 E347G342-R344 VanDerWaalsContact C-N 3.27Å; G342-R344 PolarHBondContact O-N 3.41Å; R344-E347 IonicContact NH1-OE1 3.26Å
345L56.2Low44.8Very low22 Ų2292.5 Ų92.512%0.11550%0.503CS..PPolyproline II helixtrans-53.4143.7161.1-70.4164000107.8F343 E347 L423 I426 L439 D458F343-L345 HydrophobicContact CD1-CG 4.49Å; F343-L345 HydrophobicContact CE1-CD1 3.84Å; F343-L345 HydrophobicContact CE1-CD2 4.18Å; F343-L345 HydrophobicContact CE1-CG 3.65Å; F343-L345 HydrophobicContact CE2-CD2 4.32Å; F343-L345 HydrophobicContact CZ-CD1 4.09Å; F343-L345 HydrophobicContact CZ-CD2 3.68Å; F343-L345 HydrophobicContact CZ-CG 3.69Å; L345-E347 PolarHBondContact O-N 3.29Å; L345-L423 HydrophobicContact CD2-CD2 4.46Å; L345-I426 HydrophobicContact CD2-CD1 4.17Å; L345-I426 HydrophobicContact CD2-CG2 4.15Å; L345-L439 HydrophobicContact CD2-CD2 4.05Å; L345-D458 WeakPolarHBondContact CD1-OD2 2.91Å
346P51.3Low46.8Very low70 Ų7095.7 Ų95.746%0.45551%0.513SS..PPolyproline II helixtrans-50.2120.8178.7-24.931.7000110.7S348P346-S348 PolarHBondContact O-N 3.27Å
347E48.3Very low49.3Very low141 Ų141102.6 Ų102.666%0.65954%0.544SS*.PPolyproline II helixtrans-58.7136.1176.6-73-179.7-171.700109.5R344 L345 R349R344-E347 IonicContact NH1-OE1 3.26Å; L345-E347 PolarHBondContact O-N 3.29Å; E347-R349 PolarHBondContact O-N 2.96Å
348S47Very low52.2Low81 Ų81101 Ų10157%0.56654%0.537SS*.THydrogen-bonded Turntrans-7232.3-164.2-151.60000115.6P346 G350P346-S348 PolarHBondContact O-N 3.27Å; S348-G350 VanDerWaalsContact C-N 3.31Å
349R45.4Very low54.9Low235 Ų235103.2 Ų103.289%0.88755%0.552SS**THydrogen-bonded Turntrans-85.4-0.9171.7-69.1-170.5179.2-167.81.1113.6E347 H351E347-R349 PolarHBondContact O-N 2.96Å; R349-H351 PolarHBondContact O-N 3.44Å
350G50Low57.9Low48 Ų48100.5 Ų100.550%0.49555%0.548SS..SBendtrans-73.6123.817800000112S348 V352S348-G350 VanDerWaalsContact C-N 3.31Å; G350-V352 PolarHBondContact O-N 3.03Å
351H51.8Low60.8Low188 Ų188102.8 Ų102.887%0.8755%0.548SS*.  trans-44.7127160.5-86.8-90.6000109.2R349 S353R349-H351 PolarHBondContact O-N 3.44Å; H351-S353 PolarHBondContact O-N 3.36Å
352V53.1Low63.7Low87 Ų8799.2 Ų99.253%0.52753%0.529SS..  trans-59.5105.8165.6179.10000105.8G350G350-V352 PolarHBondContact O-N 3.03Å
353S56.1Low66.4Low69 Ų6999.8 Ų99.848%0.48352%0.515SS..  trans-53.7127.8167.820.40000107H351 Q355 L428H351-S353 PolarHBondContact O-N 3.36Å; S353-Q355 PolarHBondContact O-N 3.45Å; S353-L428 PolarHBondContact OG-O 3.43Å
354P58.6Low69Low113 Ų113105.2 Ų105.273%0.73453%0.534SS*.  trans-47.1131.1177.3-24.831.1000108.7V356P354-V356 PolarHBondContact O-N 3.4Å
355Q61.2Low71.3Confident135 Ų13597 Ų9763%0.63151%0.506SS*.  trans-59.7106.9175.8-71.1-149-1.200107.6S353 E357S353-Q355 PolarHBondContact O-N 3.45Å; Q355-E357 PolarHBondContact O-N 3.03Å
356V70.7Confident73.3Confident110 Ų11096.9 Ų96.967%0.66751%0.505SS*.  trans-66109.3176.8-178.50000106.2P354 L358P354-V356 PolarHBondContact O-N 3.4Å; V356-L358 PolarHBondContact O-N 3.23Å
357E84.8Confident75.5Confident179 Ų17999.5 Ų99.584%0.83651%0.511SS*.PPolyproline II helixtrans-53.7135.2174.1-73.3-174.2170.900109.3Q355Q355-E357 PolarHBondContact O-N 3.03Å
358L91.6Very high77.9Confident20 Ų2097.6 Ų97.611%0.10550%0.502CS..PPolyproline II helixtrans-68.4136.3176.7-71.9173.5000108.9V356 L362 E363 K366 A392 N395 L398V356-L358 PolarHBondContact O-N 3.23Å; L358-L362 HydrophobicContact CB-CB 4.14Å; L358-L362 HydrophobicContact CD2-CB 4.23Å; L358-L362 HydrophobicContact CD2-CD1 4.19Å; L358-E363 HydrophobicContact CB-CB 4.44Å; L358-K366 HydrophobicContact CD1-CB 4.4Å; L358-K366 HydrophobicContact CD1-CD 3.91Å; L358-A392 HydrophobicContact CD2-CB 3.65Å; L358-N395 HydrophobicContact CD2-CB 4.18Å; L358-N395 WeakPolarHBondContact CD2-ND2 3.32Å; L358-N395 WeakPolarHBondContact CG-ND2 3.44Å; L358-L398 HydrophobicContact CD1-CD1 4.46Å; L358-L398 HydrophobicContact CD1-CD2 4.09Å; L358-L398 HydrophobicContact CD1-CG 4.43Å; L358-L398 HydrophobicContact CD2-CD1 4.13Å
359P93.8Very high80.4Confident56 Ų5693.7 Ų93.736%0.36448%0.475SS..PPolyproline II helixtrans-50.5145.9167.9-2733.7000110.8Y361 L362 E363P359-Y361 HydrophobicContact CB-CD1 3.72Å; P359-Y361 HydrophobicContact CB-CE1 3.53Å; P359-Y361 HydrophobicContact CG-CE1 4.16Å; P359-Y361 PolarHBondContact O-N 3.19Å; P359-L362 PolarHBondContact O-N 3.35Å; P359-E363 PolarHBondContact O-N 3.23Å
360P94.8Very high82.9Confident98 Ų9885.4 Ų85.464%0.63645%0.449SS*.Hα-helixtrans-52.3-32.3-172.8-30.634.7000114.9R364P360-R364 WeakPolarHBondContact O-CG 3.34Å; P360-R364 PolarHBondContact O-N 2.87Å
361Y95.5Very high85.2Confident111 Ų11189.1 Ų89.144%0.43545%0.453SS..Hα-helixtrans-72.3-34.4177.279.5-89.6000113.2P359 V365P359-Y361 HydrophobicContact CB-CD1 3.72Å; P359-Y361 HydrophobicContact CB-CE1 3.53Å; P359-Y361 HydrophobicContact CG-CE1 4.16Å; P359-Y361 PolarHBondContact O-N 3.19Å; Y361-V365 WeakPolarHBondContact O-CG2 3.11Å; Y361-V365 PolarHBondContact O-N 2.86Å
362L96Very high87.5Confident5 Ų580.3 Ų80.33%0.02641%0.413CS..Hα-helixtrans-75.8-31.5174.9-71.9-174000111.6L358 P359 R364 V365 K366 R391 A392L358-L362 HydrophobicContact CB-CB 4.14Å; L358-L362 HydrophobicContact CD2-CB 4.23Å; L358-L362 HydrophobicContact CD2-CD1 4.19Å; P359-L362 PolarHBondContact O-N 3.35Å; L362-R364 VanDerWaalsContact C-N 3.29Å; L362-R364 PolarHBondContact O-N 2.92Å; L362-V365 PolarHBondContact O-N 3.04Å; L362-K366 PolarHBondContact O-N 3.17Å; L362-R391 HydrophobicContact CD1-CB 3.84Å; L362-R391 HydrophobicContact CD2-CB 3.87Å; L362-R391 HydrophobicContact CD2-CG 4.34Å; L362-R391 HydrophobicContact CG-CB 4.48Å; L362-A392 HydrophobicContact CD1-CB 3.73Å
363E96.5Very high89.6Confident73 Ų7379 Ų7934%0.34140%0.4SS..Hα-helixtrans-61.5-40.5173-168.956.7-148.300111L358 P359 K366 Q367L358-E363 HydrophobicContact CB-CB 4.44Å; P359-E363 PolarHBondContact O-N 3.23Å; E363-K366 PolarHBondContact O-N 2.9Å; E363-K366 WeakPolarHBondContact OE1-CE 3.25Å; E363-K366 IonicContact OE1-NZ 2.83Å; E363-K366 PolarHBondContact OE1-NZ 3.36Å; E363-K366 WeakPolarHBondContact OE2-CE 3.37Å; E363-K366 IonicContact OE2-NZ 2.89Å; E363-Q367 PolarHBondContact O-N 2.71Å
364R97.8Very high91.6Very high165 Ų16579.3 Ų79.362%0.62341%0.407SS*.Hα-helixtrans-62-43.1171.7-68.2176.5-163.2152.53112.8P360 L362 K366 Q367 Q368P360-R364 WeakPolarHBondContact O-CG 3.34Å; P360-R364 PolarHBondContact O-N 2.87Å; L362-R364 VanDerWaalsContact C-N 3.29Å; L362-R364 PolarHBondContact O-N 2.92Å; R364-K366 VanDerWaalsContact C-N 3.33Å; R364-K366 PolarHBondContact O-N 3.04Å; R364-Q367 PolarHBondContact O-N 2.99Å; R364-Q368 WeakPolarHBondContact O-CG 3.42Å; R364-Q368 PolarHBondContact O-N 3.36Å
365V97.9Very high93.5Very high30 Ų3077.6 Ų77.618%0.18240%0.397CS..Hα-helixtrans-63-41.8176.5175.60000110.7Y361 L362 Q367 Q368 A369 L384 A388Y361-V365 WeakPolarHBondContact O-CG2 3.11Å; Y361-V365 PolarHBondContact O-N 2.86Å; L362-V365 PolarHBondContact O-N 3.04Å; V365-Q367 VanDerWaalsContact C-N 3.34Å; V365-Q367 PolarHBondContact O-N 3.18Å; V365-Q368 PolarHBondContact O-N 2.83Å; V365-A369 WeakPolarHBondContact O-CB 3.32Å; V365-A369 PolarHBondContact O-N 2.89Å; V365-L384 HydrophobicContact CG1-CB 4.42Å; V365-L384 HydrophobicContact CG1-CD2 4.37Å; V365-L384 WeakPolarHBondContact CG1-O 3.49Å; V365-A388 HydrophobicContact CG1-CB 4.13Å
366K97.6Very high95.3Very high20 Ų2077.8 Ų77.89%0.08740%0.398CS..Hα-helixtrans-61.6-41.9173.9-178.8176.564.578.90111.5L358 L362 E363 R364 A369 N370 M397 L398L358-K366 HydrophobicContact CD1-CB 4.4Å; L358-K366 HydrophobicContact CD1-CD 3.91Å; L362-K366 PolarHBondContact O-N 3.17Å; E363-K366 PolarHBondContact O-N 2.9Å; E363-K366 WeakPolarHBondContact OE1-CE 3.25Å; E363-K366 IonicContact OE1-NZ 2.83Å; E363-K366 PolarHBondContact OE1-NZ 3.36Å; E363-K366 WeakPolarHBondContact OE2-CE 3.37Å; E363-K366 IonicContact OE2-NZ 2.89Å; R364-K366 VanDerWaalsContact C-N 3.33Å; R364-K366 PolarHBondContact O-N 3.04Å; K366-A369 WeakPolarHBondContact O-CB 3.4Å; K366-A369 PolarHBondContact O-N 2.93Å; K366-N370 VanDerWaalsContact O-CG 3.23Å; K366-N370 PolarHBondContact O-N 2.81Å; K366-M397 HydrophobicContact CD-CE 3.9Å; K366-M397 HydrophobicContact CD-SD 3.97Å; K366-L398 HydrophobicContact CB-CD2 4.23Å; K366-L398 HydrophobicContact CD-CD2 3.95Å; K366-L398 HydrophobicContact CG-CD2 4.1Å
367Q98.1Very high96.6Very high125 Ų12576.5 Ų76.558%0.58438%0.384SS*.Hα-helixtrans-62.8-45.3177.2-173.9177.15.600111.7E363 R364 V365 A369 N370 E371E363-Q367 PolarHBondContact O-N 2.71Å; R364-Q367 PolarHBondContact O-N 2.99Å; V365-Q367 VanDerWaalsContact C-N 3.34Å; V365-Q367 PolarHBondContact O-N 3.18Å; Q367-A369 VanDerWaalsContact C-N 3.3Å; Q367-A369 PolarHBondContact O-N 3.5Å; Q367-N370 WeakPolarHBondContact O-CB 3.41Å; Q367-N370 PolarHBondContact O-N 2.88Å; Q367-E371 PolarHBondContact O-N 3.05Å
368Q98.6Very high97.2Very high101 Ų10170.5 Ų70.547%0.47235%0.354SS..Hα-helixtrans-60.1-39.9173.8-70.3173.7-22.900111.9R364 V365 E371 A372 L384R364-Q368 WeakPolarHBondContact O-CG 3.42Å; R364-Q368 PolarHBondContact O-N 3.36Å; V365-Q368 PolarHBondContact O-N 2.83Å; Q368-E371 PolarHBondContact O-N 2.89Å; Q368-A372 WeakPolarHBondContact O-CB 3.32Å; Q368-A372 PolarHBondContact O-N 2.8Å; Q368-L384 HydrophobicContact CB-CD1 3.99Å
369A98.5Very high97.5Very high0 Ų070.2 Ų70.20%035%0.353CS..Hα-helixtrans-65.7-39.4176.400000112.2V365 K366 Q367 F373 L384 Y385V365-A369 WeakPolarHBondContact O-CB 3.32Å; V365-A369 PolarHBondContact O-N 2.89Å; K366-A369 WeakPolarHBondContact O-CB 3.4Å; K366-A369 PolarHBondContact O-N 2.93Å; Q367-A369 VanDerWaalsContact C-N 3.3Å; Q367-A369 PolarHBondContact O-N 3.5Å; A369-F373 WeakPolarHBondContact O-CB 3.34Å; A369-F373 PolarHBondContact O-N 2.89Å; A369-L384 HydrophobicContact CB-CB 3.57Å; A369-L384 HydrophobicContact CB-CD1 4.32Å; A369-Y385 HydrophobicContact CB-CD1 3.63Å; A369-Y385 HydrophobicContact CB-CD2 4.13Å; A369-Y385 HydrophobicContact CB-CE1 3.39Å; A369-Y385 HydrophobicContact CB-CE2 3.91Å; A369-Y385 HydrophobicContact CB-CG 3.98Å
370N98.5Very high97.7Very high61 Ų6171.5 Ų71.533%0.32636%0.355SS..Hα-helixtrans-65.4-39.4174.8-70.3-20.2000111.5K366 Q367 F373 A374 Y385 N401K366-N370 VanDerWaalsContact O-CG 3.23Å; K366-N370 PolarHBondContact O-N 2.81Å; Q367-N370 WeakPolarHBondContact O-CB 3.41Å; Q367-N370 PolarHBondContact O-N 2.88Å; N370-F373 WeakPolarHBondContact O-CB 3.43Å; N370-F373 PolarHBondContact O-N 3.47Å; N370-A374 WeakPolarHBondContact O-CB 3.32Å; N370-A374 PolarHBondContact O-N 2.86Å; N370-Y385 PolarHBondContact OD1-OH 2.89Å; N370-N401 PolarHBondContact OD1-ND2 3.15Å
371E98.7Very high97.9Very high125 Ų12566.9 Ų66.958%0.58432%0.324SS*.Hα-helixtrans-65.2-49.3176.4-175.9172.8-16700111.1Q367 Q368 F373 A374 C375Q367-E371 PolarHBondContact O-N 3.05Å; Q368-E371 PolarHBondContact O-N 2.89Å; E371-F373 VanDerWaalsContact C-N 3.25Å; E371-F373 PolarHBondContact O-N 3.14Å; E371-A374 WeakPolarHBondContact O-CB 3.38Å; E371-A374 PolarHBondContact O-N 3.24Å; E371-C375 PolarHBondContact O-N 2.94Å; E371-C375 PolarHBondContact O-SG 3.14Å
372A98.5Very high98Very high3 Ų361.9 Ų61.93%0.02531%0.305CS..Hα-helixtrans-55.7-42.1173.200000111.6Q368 C375 Q376 Q377 Q380 A381 L384Q368-A372 WeakPolarHBondContact O-CB 3.32Å; Q368-A372 PolarHBondContact O-N 2.8Å; A372-C375 CarbonylContact O-C 3.53Å; A372-C375 PolarHBondContact O-N 3.25Å; A372-Q376 PolarHBondContact O-N 3.28Å; A372-Q377 HydrophobicContact CB-CB 4.23Å; A372-Q377 WeakPolarHBondContact O-CB 2.99Å; A372-Q377 PolarHBondContact O-N 3.19Å; A372-Q380 HydrophobicContact CB-CB 4.27Å; A372-Q380 HydrophobicContact CB-CG 4.07Å; A372-A381 HydrophobicContact CB-CB 4.06Å; A372-L384 HydrophobicContact CB-CD1 4.39Å
373F98.5Very high98.1Very high59 Ų5964.2 Ų64.226%0.25932%0.316SS..Hα-helixtrans-62.7-43174.6-175.1-82.7000112.3A369 N370 E371 C375 Q376 W378 A381 A404 A405 K408A369-F373 WeakPolarHBondContact O-CB 3.34Å; A369-F373 PolarHBondContact O-N 2.89Å; N370-F373 WeakPolarHBondContact O-CB 3.43Å; N370-F373 PolarHBondContact O-N 3.47Å; E371-F373 VanDerWaalsContact C-N 3.25Å; E371-F373 PolarHBondContact O-N 3.14Å; F373-C375 VanDerWaalsContact C-N 3.29Å; F373-C375 PolarHBondContact O-N 3.06Å; F373-Q376 PolarHBondContact O-N 2.85Å; F373-Q376 VanDerWaalsContact O-N 3.1Å; F373-W378 HydrophobicContact CD1-CZ3 4.15Å; F373-W378 AromaticContact CD2-CE3 3.89Å; F373-W378 HydrophobicContact CD2-CE3 3.89Å; F373-W378 AromaticContact CD2-CZ3 3.69Å; F373-W378 HydrophobicContact CD2-CZ3 3.69Å; F373-W378 HydrophobicContact CE1-CZ3 4.15Å; F373-W378 HydrophobicContact CE2-CE3 4.05Å; F373-W378 AromaticContact CE2-CZ3 3.7Å; F373-W378 HydrophobicContact CE2-CZ3 3.7Å; F373-W378 HydrophobicContact CG-CE3 4.41Å; F373-W378 AromaticContact CG-CZ3 3.92Å; F373-W378 HydrophobicContact CG-CZ3 3.92Å; F373-W378 AromaticContact CZ-CZ3 3.94Å; F373-W378 HydrophobicContact CZ-CZ3 3.94Å; F373-W378 WeakPolarHBondContact O-CZ3 3.34Å; F373-A381 HydrophobicContact CB-CB 4.04Å; F373-A404 HydrophobicContact CE2-CB 4.01Å; F373-A404 HydrophobicContact CZ-CB 4.24Å; F373-A405 HydrophobicContact CD2-CB 3.99Å; F373-A405 HydrophobicContact CE2-CB 4.22Å; F373-K408 HydrophobicContact CE2-CG 4.25Å; F373-K408 HydrophobicContact CZ-CG 4.25Å
374A98.4Very high98.2Very high77 Ų7761.9 Ų61.964%0.63631%0.306SS*.Hα-helixtrans-64.5-36177.100000111.9N370 E371 Q376N370-A374 WeakPolarHBondContact O-CB 3.32Å; N370-A374 PolarHBondContact O-N 2.86Å; E371-A374 WeakPolarHBondContact O-CB 3.38Å; E371-A374 PolarHBondContact O-N 3.24Å; A374-Q376 PolarHBondContact O-N 3.05Å
375C98.5Very high98.3Very high77 Ų7754.1 Ų54.152%0.5228%0.276SS..THydrogen-bonded Turntrans-78.16.4173.6-66.10000114E371 A372 F373 Q377E371-C375 PolarHBondContact O-N 2.94Å; E371-C375 PolarHBondContact O-SG 3.14Å; A372-C375 CarbonylContact O-C 3.53Å; A372-C375 PolarHBondContact O-N 3.25Å; F373-C375 VanDerWaalsContact C-N 3.29Å; F373-C375 PolarHBondContact O-N 3.06Å; C375-Q377 HydrophobicContact CB-CG 4.28Å; C375-Q377 PolarHBondContact O-N 3.2Å
376Q98.1Very high98.3Very high138 Ų13852.8 Ų52.865%0.64527%0.268SS*.THydrogen-bonded Turntrans61.820.1-179-49.7-17429.200115.1A372 F373 A374 W378A372-Q376 PolarHBondContact O-N 3.28Å; F373-Q376 PolarHBondContact O-N 2.85Å; F373-Q376 VanDerWaalsContact O-N 3.1Å; A374-Q376 PolarHBondContact O-N 3.05Å; Q376-W378 VanDerWaalsContact C-N 3.31Å; Q376-W378 HydrophobicContact CB-CH2 3.84Å; Q376-W378 HydrophobicContact CB-CZ2 3.43Å; Q376-W378 VanDerWaalsContact CB-CZ2 3.43Å; Q376-W378 HydrophobicContact CG-CH2 3.78Å; Q376-W378 HydrophobicContact CG-CZ2 3.65Å; Q376-W378 PolarHBondContact O-N 2.82Å; Q376-W378 VanDerWaalsContact O-N 3.1Å; Q376-W378 PolarHBondContact O-NE1 2.85Å
377Q97.7Very high98.3Very high83 Ų8356.4 Ų56.439%0.38828%0.284SS..  trans-85.773.8174.4-65169.5-2600109.2A372 C375 T379 Q380 A381A372-Q377 HydrophobicContact CB-CB 4.23Å; A372-Q377 WeakPolarHBondContact O-CB 2.99Å; A372-Q377 PolarHBondContact O-N 3.19Å; C375-Q377 HydrophobicContact CB-CG 4.28Å; C375-Q377 PolarHBondContact O-N 3.2Å; Q377-T379 PolarHBondContact O-N 3.46Å; Q377-Q380 HydrophobicContact CB-CB 4.08Å; Q377-Q380 PolarHBondContact O-N 3.05Å; Q377-Q380 VanDerWaalsContact OE1-OE1 3.07Å; Q377-A381 WeakPolarHBondContact O-CB 3.13Å; Q377-A381 PolarHBondContact O-N 3.09Å
378W98.3Very high98.3Very high54 Ų5450.4 Ų50.421%0.20526%0.256CS..Hα-helixtrans-63-42.2-169.6-45.4121.6000113F373 Q376 A381 I382 K408 R409F373-W378 HydrophobicContact CD1-CZ3 4.15Å; F373-W378 AromaticContact CD2-CE3 3.89Å; F373-W378 HydrophobicContact CD2-CE3 3.89Å; F373-W378 AromaticContact CD2-CZ3 3.69Å; F373-W378 HydrophobicContact CD2-CZ3 3.69Å; F373-W378 HydrophobicContact CE1-CZ3 4.15Å; F373-W378 HydrophobicContact CE2-CE3 4.05Å; F373-W378 AromaticContact CE2-CZ3 3.7Å; F373-W378 HydrophobicContact CE2-CZ3 3.7Å; F373-W378 HydrophobicContact CG-CE3 4.41Å; F373-W378 AromaticContact CG-CZ3 3.92Å; F373-W378 HydrophobicContact CG-CZ3 3.92Å; F373-W378 AromaticContact CZ-CZ3 3.94Å; F373-W378 HydrophobicContact CZ-CZ3 3.94Å; F373-W378 WeakPolarHBondContact O-CZ3 3.34Å; Q376-W378 VanDerWaalsContact C-N 3.31Å; Q376-W378 HydrophobicContact CB-CH2 3.84Å; Q376-W378 HydrophobicContact CB-CZ2 3.43Å; Q376-W378 VanDerWaalsContact CB-CZ2 3.43Å; Q376-W378 HydrophobicContact CG-CH2 3.78Å; Q376-W378 HydrophobicContact CG-CZ2 3.65Å; Q376-W378 PolarHBondContact O-N 2.82Å; Q376-W378 VanDerWaalsContact O-N 3.1Å; Q376-W378 PolarHBondContact O-NE1 2.85Å; W378-A381 PolarHBondContact O-N 3.41Å; W378-I382 WeakPolarHBondContact O-CD1 3.5Å; W378-I382 VanDerWaalsContact O-CG1 3.27Å; W378-I382 WeakPolarHBondContact O-CG1 3.41Å; W378-I382 PolarHBondContact O-N 3.47Å; W378-K408 HydrophobicContact CD2-CB 3.63Å; W378-K408 HydrophobicContact CE3-CB 3.73Å; W378-K408 HydrophobicContact CE3-CG 4.31Å; W378-K408 HydrophobicContact CG-CB 4.16Å; W378-K408 HydrophobicContact CH2-CB 4.19Å; W378-K408 HydrophobicContact CH2-CD 4.45Å; W378-K408 HydrophobicContact CH2-CG 4.18Å; W378-K408 HydrophobicContact CZ2-CB 4.09Å; W378-K408 HydrophobicContact CZ2-CG 4.44Å; W378-K408 HydrophobicContact CZ3-CB 4.02Å; W378-K408 HydrophobicContact CZ3-CG 4.11Å; W378-R409 HydrophobicContact CB-CB 3.75Å; W378-R409 HydrophobicContact CB-CG 4.28Å; W378-R409 HydrophobicContact CG-CB 4.4Å
379T97.5Very high98.2Very high13 Ų1346 Ų468%0.0824%0.236CC..Hα-helixtrans-62.5-48.9179.4-54.30000110.6Q377 A381 I382 Q383 E625Q377-T379 PolarHBondContact O-N 3.46Å; T379-A381 VanDerWaalsContact C-N 3.35Å; T379-A381 PolarHBondContact O-N 3Å; T379-I382 PolarHBondContact O-N 3.26Å; T379-Q383 WeakPolarHBondContact O-CG 3.24Å; T379-Q383 PolarHBondContact O-N 3.09Å; T379-E625 WeakPolarHBondContact CB-OE1 3.38Å; T379-E625 PolarHBondContact OG1-OE1 3.35Å
380Q97.9Very high98Very high84 Ų8449.2 Ų49.239%0.39325%0.251SS..Hα-helixtrans-61.2-42176.8-174.8174-5.900112.2A372 Q377 Q383 L384A372-Q380 HydrophobicContact CB-CB 4.27Å; A372-Q380 HydrophobicContact CB-CG 4.07Å; Q377-Q380 HydrophobicContact CB-CB 4.08Å; Q377-Q380 PolarHBondContact O-N 3.05Å; Q377-Q380 VanDerWaalsContact OE1-OE1 3.07Å; Q380-Q383 PolarHBondContact O-N 3.39Å; Q380-L384 HydrophobicContact CG-CD1 4.11Å; Q380-L384 WeakPolarHBondContact O-CG 3.27Å; Q380-L384 PolarHBondContact O-N 3.37Å
381A98.7Very high97.9Very high0 Ų052.9 Ų52.90%026%0.26CS..Hα-helixtrans-59.4-48175.100000111.5A372 F373 Q377 W378 T379 Q383 L384 Y385 A405A372-A381 HydrophobicContact CB-CB 4.06Å; F373-A381 HydrophobicContact CB-CB 4.04Å; Q377-A381 WeakPolarHBondContact O-CB 3.13Å; Q377-A381 PolarHBondContact O-N 3.09Å; W378-A381 PolarHBondContact O-N 3.41Å; T379-A381 VanDerWaalsContact C-N 3.35Å; T379-A381 PolarHBondContact O-N 3Å; A381-Q383 VanDerWaalsContact C-N 3.33Å; A381-Q383 PolarHBondContact O-N 3.43Å; A381-L384 PolarHBondContact O-N 3.37Å; A381-Y385 HydrophobicContact CB-CD2 4.46Å; A381-Y385 HydrophobicContact CB-CE2 4.13Å; A381-Y385 WeakPolarHBondContact O-CD2 3.37Å; A381-Y385 PolarHBondContact O-N 3.42Å; A381-A405 HydrophobicContact CB-CB 4.33Å
382I98.6Very high97.7Very high7 Ų747.8 Ų47.84%0.03624%0.239CC..Hα-helixtrans-57.6-46.5176.1-69160.8000110.4W378 T379 L384 Y385 S386 R402 A405 Y406 R409W378-I382 WeakPolarHBondContact O-CD1 3.5Å; W378-I382 VanDerWaalsContact O-CG1 3.27Å; W378-I382 WeakPolarHBondContact O-CG1 3.41Å; W378-I382 PolarHBondContact O-N 3.47Å; T379-I382 PolarHBondContact O-N 3.26Å; I382-L384 VanDerWaalsContact C-N 3.33Å; I382-L384 PolarHBondContact O-N 3.11Å; I382-Y385 PolarHBondContact O-N 3.32Å; I382-S386 WeakPolarHBondContact O-CB 3.42Å; I382-S386 PolarHBondContact O-N 2.85Å; I382-S386 PolarHBondContact O-OG 3.47Å; I382-R402 HydrophobicContact CG2-CG 4.44Å; I382-A405 HydrophobicContact CD1-CB 4.31Å; I382-A405 HydrophobicContact CG1-CB 3.56Å; I382-Y406 HydrophobicContact CD1-CD1 3.61Å; I382-Y406 HydrophobicContact CD1-CE1 3.88Å; I382-Y406 HydrophobicContact CD1-CG 4.27Å; I382-Y406 HydrophobicContact CG1-CD1 4.19Å; I382-Y406 HydrophobicContact CG1-CE1 4.25Å; I382-Y406 HydrophobicContact CG2-CD1 4.48Å; I382-Y406 HydrophobicContact CG2-CE1 3.72Å; I382-R409 HydrophobicContact CD1-CB 4.11Å
383Q98.1Very high97.5Very high53 Ų5350.1 Ų50.125%0.24826%0.255CS..Hα-helixtrans-60.9-42.5-178.2-71177.2000112.7T379 Q380 A381 S386 K387 N571T379-Q383 WeakPolarHBondContact O-CG 3.24Å; T379-Q383 PolarHBondContact O-N 3.09Å; Q380-Q383 PolarHBondContact O-N 3.39Å; A381-Q383 VanDerWaalsContact C-N 3.33Å; A381-Q383 PolarHBondContact O-N 3.43Å; Q383-S386 PolarHBondContact O-N 2.87Å; Q383-K387 WeakPolarHBondContact O-CG 3.5Å; Q383-K387 PolarHBondContact O-N 2.9Å; Q383-K387 VanDerWaalsContact O-N 3.09Å; Q383-N571 WeakPolarHBondContact CA-OD1 3Å; Q383-N571 WeakPolarHBondContact CB-OD1 3.24Å; Q383-N571 HydrophobicContact CG-CB 4.37Å; Q383-N571 WeakPolarHBondContact CG-OD1 3.32Å; Q383-N571 PolarHBondContact O-ND2 3.41Å
384L98.6Very high97.3Very high24 Ų2454.2 Ų54.213%0.12627%0.274CS..Hα-helixtrans-68.4-42.7177.6-69166.5000111.6V365 Q368 A369 A372 Q380 A381 I382 K387 A388V365-L384 HydrophobicContact CG1-CB 4.42Å; V365-L384 HydrophobicContact CG1-CD2 4.37Å; V365-L384 WeakPolarHBondContact CG1-O 3.49Å; Q368-L384 HydrophobicContact CB-CD1 3.99Å; A369-L384 HydrophobicContact CB-CB 3.57Å; A369-L384 HydrophobicContact CB-CD1 4.32Å; A372-L384 HydrophobicContact CB-CD1 4.39Å; Q380-L384 HydrophobicContact CG-CD1 4.11Å; Q380-L384 WeakPolarHBondContact O-CG 3.27Å; Q380-L384 PolarHBondContact O-N 3.37Å; A381-L384 PolarHBondContact O-N 3.37Å; I382-L384 VanDerWaalsContact C-N 3.33Å; I382-L384 PolarHBondContact O-N 3.11Å; L384-K387 PolarHBondContact O-N 3.46Å; L384-A388 PolarHBondContact O-N 3.16Å
385Y98.6Very high97.2Very high3 Ų351.3 Ų51.31%0.01225%0.248CC..Hα-helixtrans-63.7-40.5174-69.7-54.9000112.2A369 N370 A381 I382 K387 A388 V389 L398 N401 R402 A405A369-Y385 HydrophobicContact CB-CD1 3.63Å; A369-Y385 HydrophobicContact CB-CD2 4.13Å; A369-Y385 HydrophobicContact CB-CE1 3.39Å; A369-Y385 HydrophobicContact CB-CE2 3.91Å; A369-Y385 HydrophobicContact CB-CG 3.98Å; N370-Y385 PolarHBondContact OD1-OH 2.89Å; A381-Y385 HydrophobicContact CB-CD2 4.46Å; A381-Y385 HydrophobicContact CB-CE2 4.13Å; A381-Y385 WeakPolarHBondContact O-CD2 3.37Å; A381-Y385 PolarHBondContact O-N 3.42Å; I382-Y385 PolarHBondContact O-N 3.32Å; Y385-K387 PolarHBondContact O-N 3.1Å; Y385-A388 CarbonylContact O-C 3.41Å; Y385-A388 PolarHBondContact O-N 2.93Å; Y385-A388 VanDerWaalsContact O-N 3.09Å; Y385-V389 WeakPolarHBondContact O-CB 3.27Å; Y385-V389 WeakPolarHBondContact O-CG2 3.43Å; Y385-V389 PolarHBondContact O-N 3.11Å; Y385-L398 HydrophobicContact CD1-CD2 4.5Å; Y385-N401 HydrophobicContact CD1-CB 4.1Å; Y385-N401 HydrophobicContact CE1-CB 3.52Å; Y385-N401 HydrophobicContact CE2-CB 4.06Å; Y385-R402 HydrophobicContact CD2-CB 4.22Å; Y385-R402 HydrophobicContact CG-CB 4.14Å; Y385-A405 HydrophobicContact CD2-CB 4.5Å; Y385-A405 HydrophobicContact CE2-CB 4.46Å
386S98.1Very high97.1Very high2 Ų248.1 Ų48.11%0.01423%0.227CC..Hα-helixtrans-61-43176.7-73.70000112I382 Q383 A388 V389 Q390 R402 T569I382-S386 WeakPolarHBondContact O-CB 3.42Å; I382-S386 PolarHBondContact O-N 2.85Å; I382-S386 PolarHBondContact O-OG 3.47Å; Q383-S386 PolarHBondContact O-N 2.87Å; S386-A388 VanDerWaalsContact C-N 3.3Å; S386-A388 PolarHBondContact O-N 3.1Å; S386-V389 PolarHBondContact O-N 2.8Å; S386-Q390 WeakPolarHBondContact O-CB 3.44Å; S386-Q390 PolarHBondContact O-N 3.11Å; S386-R402 WeakPolarHBondContact OG-CD 3.32Å; S386-R402 PolarHBondContact OG-NH1 2.99Å; S386-T569 VanDerWaalsContact CB-O 3.24Å; S386-T569 WeakPolarHBondContact CB-O 3.31Å
387K97.5Very high97Very high95 Ų9544.3 Ų44.341%0.41321%0.21SC..Hα-helixtrans-58.6-42.2171.6-72.8173.7-178.1174.40111.8Q383 L384 Y385 R391 T569 N571Q383-K387 WeakPolarHBondContact O-CG 3.5Å; Q383-K387 PolarHBondContact O-N 2.9Å; Q383-K387 VanDerWaalsContact O-N 3.09Å; L384-K387 PolarHBondContact O-N 3.46Å; Y385-K387 PolarHBondContact O-N 3.1Å; K387-R391 WeakPolarHBondContact O-CG 3.24Å; K387-R391 PolarHBondContact O-N 3.49Å; K387-T569 HydrophobicContact CG-CG2 4.25Å; K387-N571 VanDerWaalsContact CE-ND2 3.34Å; K387-N571 WeakPolarHBondContact CE-ND2 3.45Å; K387-N571 WeakPolarHBondContact CG-ND2 3.43Å
388A97.8Very high97Very high0 Ų040.3 Ų40.30%019%0.191CC..Hα-helixtrans-69.3-45.1-179.700000112.2V365 L384 Y385 S386 Q390 R391 A392 L398V365-A388 HydrophobicContact CG1-CB 4.13Å; L384-A388 PolarHBondContact O-N 3.16Å; Y385-A388 CarbonylContact O-C 3.41Å; Y385-A388 PolarHBondContact O-N 2.93Å; Y385-A388 VanDerWaalsContact O-N 3.09Å; S386-A388 VanDerWaalsContact C-N 3.3Å; S386-A388 PolarHBondContact O-N 3.1Å; A388-Q390 PolarHBondContact O-N 3.5Å; A388-R391 PolarHBondContact O-N 3.24Å; A388-R391 VanDerWaalsContact O-N 3.14Å; A388-A392 PolarHBondContact O-N 3.31Å; A388-L398 HydrophobicContact CB-CD1 3.85Å; A388-L398 HydrophobicContact CB-CD2 3.88Å; A388-L398 HydrophobicContact CB-CG 4.45Å
389V96.8Very high97Very high9 Ų938.8 Ų38.86%0.05519%0.186CC..Hα-helixtrans-58.1-46.2176.6164.40000111.2Y385 S386 R391 A392 P393 L398 Y399Y385-V389 WeakPolarHBondContact O-CB 3.27Å; Y385-V389 WeakPolarHBondContact O-CG2 3.43Å; Y385-V389 PolarHBondContact O-N 3.11Å; S386-V389 PolarHBondContact O-N 2.8Å; V389-R391 PolarHBondContact O-N 3.49Å; V389-A392 CarbonylContact O-C 3.58Å; V389-A392 PolarHBondContact O-N 3.22Å; V389-P393 VanDerWaalsContact O-CA 3.29Å; V389-P393 WeakPolarHBondContact O-CA 3.47Å; V389-L398 HydrophobicContact CG2-CB 3.63Å; V389-Y399 HydrophobicContact CG1-CD1 4.19Å; V389-Y399 HydrophobicContact CG1-CE1 3.41Å; V389-Y399 VanDerWaalsContact CG1-CE1 3.41Å; V389-Y399 HydrophobicContact CG1-CE2 4.15Å; V389-Y399 WeakPolarHBondContact CG1-OH 3.45Å; V389-Y399 HydrophobicContact CG2-CD1 4.26Å; V389-Y399 HydrophobicContact CG2-CE1 4.27Å; V389-Y399 HydrophobicContact CG2-CG 4.42Å
390Q95Very high97Very high66 Ų6638.2 Ų38.231%0.30818%0.182SC..Hα-helixtrans-57.4-34.2178.4-168.9-156.122.700112.1S386 A388 E568 T569S386-Q390 WeakPolarHBondContact O-CB 3.44Å; S386-Q390 PolarHBondContact O-N 3.11Å; A388-Q390 PolarHBondContact O-N 3.5Å; Q390-E568 HydrophobicContact CG-CB 4.42Å; Q390-T569 HydrophobicContact CB-CG2 4.29Å; Q390-T569 HydrophobicContact CG-CG2 4.36Å
391R95.1Very high97Very high139 Ų13935.5 Ų35.553%0.52517%0.17SC..Hα-helixtrans-90.5-22-178.9-60.3-57.9-177.196.31.5113.9L362 K387 A388 V389L362-R391 HydrophobicContact CD1-CB 3.84Å; L362-R391 HydrophobicContact CD2-CB 3.87Å; L362-R391 HydrophobicContact CD2-CG 4.34Å; L362-R391 HydrophobicContact CG-CB 4.48Å; K387-R391 WeakPolarHBondContact O-CG 3.24Å; K387-R391 PolarHBondContact O-N 3.49Å; A388-R391 PolarHBondContact O-N 3.24Å; A388-R391 VanDerWaalsContact O-N 3.14Å; V389-R391 PolarHBondContact O-N 3.49Å
392A95.6Very high97Very high17 Ų1737 Ų3714%0.1418%0.176CC..  trans-134.766.8178.400000110.9L358 L362 A388 V389 H394 N395 L398L358-A392 HydrophobicContact CD2-CB 3.65Å; L362-A392 HydrophobicContact CD1-CB 3.73Å; A388-A392 PolarHBondContact O-N 3.31Å; V389-A392 CarbonylContact O-C 3.58Å; V389-A392 PolarHBondContact O-N 3.22Å; A392-H394 PolarHBondContact O-N 2.94Å; A392-N395 HydrophobicContact CB-CB 4.23Å; A392-N395 WeakPolarHBondContact O-CB 3.41Å; A392-N395 PolarHBondContact O-N 2.94Å; A392-L398 HydrophobicContact CB-CD1 4.02Å
393P94.9Very high97Very high53 Ų5336.7 Ų36.734%0.34417%0.174SC..THydrogen-bonded Turntrans-68.3-7-17328.5-37.3000114.3V389 Y399V389-P393 VanDerWaalsContact O-CA 3.29Å; V389-P393 WeakPolarHBondContact O-CA 3.47Å; P393-Y399 WeakPolarHBondContact O-CE2 3.49Å; P393-Y399 PolarHBondContact O-OH 3.43Å
394H94.5Very high97.1Very high145 Ų14534.6 Ų34.667%0.67117%0.166SC*.THydrogen-bonded Turntrans-100.65.6176.5-57.4-66.2000113.2A392 L428A392-H394 PolarHBondContact O-N 2.94Å; H394-L428 HydrophobicContact CB-CD2 4.46Å
395N95.3Very high97.1Very high16 Ų1633.4 Ų33.49%0.08616%0.16CC..  trans-93.6103.9179.4-168.8-62.6000111.7L358 A392 M397 L398 Y399L358-N395 HydrophobicContact CD2-CB 4.18Å; L358-N395 WeakPolarHBondContact CD2-ND2 3.32Å; L358-N395 WeakPolarHBondContact CG-ND2 3.44Å; A392-N395 HydrophobicContact CB-CB 4.23Å; A392-N395 WeakPolarHBondContact O-CB 3.41Å; A392-N395 PolarHBondContact O-N 2.94Å; N395-M397 VanDerWaalsContact C-N 3.3Å; N395-M397 PolarHBondContact O-N 3.39Å; N395-M397 WeakPolarHBondContact OD1-CB 3.37Å; N395-M397 PolarHBondContact OD1-N 3.48Å; N395-M397 VanDerWaalsContact OD1-N 3.16Å; N395-L398 HydrophobicContact CB-CD1 3.81Å; N395-L398 HydrophobicContact CB-CG 4.06Å; N395-L398 PolarHBondContact O-N 2.93Å; N395-L398 PolarHBondContact OD1-N 3.38Å; N395-Y399 WeakPolarHBondContact O-CD2 3.43Å
396A96Very high97.1Very high10 Ų1033.9 Ų33.98%0.08316%0.162CC..Hα-helixtrans-58.5-36.4-177.400000114.2L398 Y399 G400 A425 L428 N429A396-L398 VanDerWaalsContact C-N 3.35Å; A396-L398 PolarHBondContact O-N 3.34Å; A396-Y399 PolarHBondContact O-N 3.04Å; A396-G400 PolarHBondContact O-N 3.49Å; A396-A425 WeakPolarHBondContact CB-O 3.38Å; A396-A425 WeakPolarHBondContact O-CB 3.43Å; A396-L428 HydrophobicContact CB-CB 3.74Å; A396-L428 HydrophobicContact CB-CD1 4.48Å; A396-N429 HydrophobicContact CB-CB 3.67Å
397M96.1Very high97.1Very high57 Ų5735.3 Ų35.328%0.28117%0.168SC..Hα-helixtrans-65.4-36.8-176.7167.1-18040.600112.1K366 N395 G400 N401K366-M397 HydrophobicContact CD-CE 3.9Å; K366-M397 HydrophobicContact CD-SD 3.97Å; N395-M397 VanDerWaalsContact C-N 3.3Å; N395-M397 PolarHBondContact O-N 3.39Å; N395-M397 WeakPolarHBondContact OD1-CB 3.37Å; N395-M397 PolarHBondContact OD1-N 3.48Å; N395-M397 VanDerWaalsContact OD1-N 3.16Å; M397-G400 PolarHBondContact O-N 2.81Å; M397-N401 WeakPolarHBondContact O-CB 3.43Å; M397-N401 PolarHBondContact O-N 3.27Å
398L97.7Very high97.1Very high0 Ų036.4 Ų36.40%017%0.173CC..Hα-helixtrans-62.3-45.3179-64.1175.6000111.4L358 K366 Y385 A388 V389 A392 N395 A396 N401 R402L358-L398 HydrophobicContact CD1-CD1 4.46Å; L358-L398 HydrophobicContact CD1-CD2 4.09Å; L358-L398 HydrophobicContact CD1-CG 4.43Å; L358-L398 HydrophobicContact CD2-CD1 4.13Å; K366-L398 HydrophobicContact CB-CD2 4.23Å; K366-L398 HydrophobicContact CD-CD2 3.95Å; K366-L398 HydrophobicContact CG-CD2 4.1Å; Y385-L398 HydrophobicContact CD1-CD2 4.5Å; A388-L398 HydrophobicContact CB-CD1 3.85Å; A388-L398 HydrophobicContact CB-CD2 3.88Å; A388-L398 HydrophobicContact CB-CG 4.45Å; V389-L398 HydrophobicContact CG2-CB 3.63Å; A392-L398 HydrophobicContact CB-CD1 4.02Å; N395-L398 HydrophobicContact CB-CD1 3.81Å; N395-L398 HydrophobicContact CB-CG 4.06Å; N395-L398 PolarHBondContact O-N 2.93Å; N395-L398 PolarHBondContact OD1-N 3.38Å; A396-L398 VanDerWaalsContact C-N 3.35Å; A396-L398 PolarHBondContact O-N 3.34Å; L398-N401 PolarHBondContact O-N 2.93Å; L398-R402 WeakPolarHBondContact O-CB 3.4Å; L398-R402 PolarHBondContact O-N 3.31Å
399Y98.2Very high97.2Very high22 Ų2238 Ų389%0.08618%0.179CC..Hα-helixtrans-61.9-47.6173.7-68.3-79.5000111.3V389 P393 N395 A396 N401 R402 A403 D421 K424 L428V389-Y399 HydrophobicContact CG1-CD1 4.19Å; V389-Y399 HydrophobicContact CG1-CE1 3.41Å; V389-Y399 VanDerWaalsContact CG1-CE1 3.41Å; V389-Y399 HydrophobicContact CG1-CE2 4.15Å; V389-Y399 WeakPolarHBondContact CG1-OH 3.45Å; V389-Y399 HydrophobicContact CG2-CD1 4.26Å; V389-Y399 HydrophobicContact CG2-CE1 4.27Å; V389-Y399 HydrophobicContact CG2-CG 4.42Å; P393-Y399 WeakPolarHBondContact O-CE2 3.49Å; P393-Y399 PolarHBondContact O-OH 3.43Å; N395-Y399 WeakPolarHBondContact O-CD2 3.43Å; A396-Y399 PolarHBondContact O-N 3.04Å; Y399-N401 VanDerWaalsContact C-N 3.29Å; Y399-N401 PolarHBondContact O-N 3.23Å; Y399-R402 PolarHBondContact O-N 3.31Å; Y399-A403 WeakPolarHBondContact O-CB 3.31Å; Y399-A403 PolarHBondContact O-N 2.65Å; Y399-D421 WeakPolarHBondContact CD1-OD1 3.38Å; Y399-K424 HydrophobicContact CD1-CB 4.05Å; Y399-K424 HydrophobicContact CD1-CG 3.74Å; Y399-K424 HydrophobicContact CD2-CG 3.89Å; Y399-K424 HydrophobicContact CE1-CB 4.28Å; Y399-K424 HydrophobicContact CE1-CG 3.57Å; Y399-K424 HydrophobicContact CE2-CG 3.72Å; Y399-K424 HydrophobicContact CG-CB 4.23Å; Y399-K424 HydrophobicContact CG-CG 3.89Å; Y399-L428 HydrophobicContact CD2-CD1 3.83Å; Y399-L428 HydrophobicContact CE2-CD1 3.72Å
400G98.1Very high97.2Very high0 Ų044.2 Ų44.20%021%0.205CC..Hα-helixtrans-56.3-42.3177.500000112.7A396 M397 A404 R438A396-G400 PolarHBondContact O-N 3.49Å; M397-G400 PolarHBondContact O-N 2.81Å; G400-A404 PolarHBondContact O-N 3.28Å; G400-R438 PolarHBondContact O-NH1 3.4Å
401N98.4Very high97.3Very high27 Ų2742.1 Ų42.114%0.14420%0.195CC..Hα-helixtrans-72.2-40.1178.7-73.63000112.6N370 Y385 M397 L398 Y399 A403 A404 A405N370-N401 PolarHBondContact OD1-ND2 3.15Å; Y385-N401 HydrophobicContact CD1-CB 4.1Å; Y385-N401 HydrophobicContact CE1-CB 3.52Å; Y385-N401 HydrophobicContact CE2-CB 4.06Å; M397-N401 WeakPolarHBondContact O-CB 3.43Å; M397-N401 PolarHBondContact O-N 3.27Å; L398-N401 PolarHBondContact O-N 2.93Å; Y399-N401 VanDerWaalsContact C-N 3.29Å; Y399-N401 PolarHBondContact O-N 3.23Å; N401-A403 VanDerWaalsContact C-N 3.35Å; N401-A404 VanDerWaalsContact O-CB 3.3Å; N401-A404 WeakPolarHBondContact O-CB 3.34Å; N401-A404 PolarHBondContact O-N 2.77Å; N401-A404 VanDerWaalsContact O-N 3.17Å; N401-A405 PolarHBondContact O-N 2.98Å; N401-A405 VanDerWaalsContact O-N 3.16Å
402R98.7Very high97.2Very high32 Ų3236.5 Ų36.512%0.12118%0.175CC..Hα-helixtrans-63.1-40.8175.2-166.3173.862.3174.81.4112I382 Y385 S386 L398 Y399 A404 A405 Y406 D421I382-R402 HydrophobicContact CG2-CG 4.44Å; Y385-R402 HydrophobicContact CD2-CB 4.22Å; Y385-R402 HydrophobicContact CG-CB 4.14Å; S386-R402 WeakPolarHBondContact OG-CD 3.32Å; S386-R402 PolarHBondContact OG-NH1 2.99Å; L398-R402 WeakPolarHBondContact O-CB 3.4Å; L398-R402 PolarHBondContact O-N 3.31Å; Y399-R402 PolarHBondContact O-N 3.31Å; R402-A404 VanDerWaalsContact C-N 3.26Å; R402-A404 PolarHBondContact O-N 2.98Å; R402-A405 WeakPolarHBondContact O-CB 3.4Å; R402-A405 PolarHBondContact O-N 3.04Å; R402-Y406 HydrophobicContact CG-CD2 4.02Å; R402-Y406 HydrophobicContact CG-CE2 3.59Å; R402-Y406 WeakPolarHBondContact O-CD2 3.5Å; R402-Y406 PolarHBondContact O-N 3.44Å; R402-D421 WeakPolarHBondContact CB-OD2 3.14Å; R402-D421 IonicContact CZ-OD1 3.7Å; R402-D421 IonicContact CZ-OD2 2.65Å; R402-D421 IonicContact NE-OD1 2.73Å; R402-D421 IonicContact NE-OD2 2.85Å; R402-D421 PolarHBondContact NE-OD2 2.68Å; R402-D421 IonicContact NH2-OD1 3.7Å; R402-D421 PolarHBondContact NH2-OD1 3.1Å; R402-D421 IonicContact NH2-OD2 3.21Å; R402-D421 PolarHBondContact NH2-OD2 2.68Å
403A98.8Very high97.2Very high0 Ų035.8 Ų35.80%017%0.169CC..Hα-helixtrans-55.1-42.6172.400000112.1Y399 N401 A405 Y406 M407 A418 D421Y399-A403 WeakPolarHBondContact O-CB 3.31Å; Y399-A403 PolarHBondContact O-N 2.65Å; N401-A403 VanDerWaalsContact C-N 3.35Å; A403-A405 VanDerWaalsContact C-N 3.31Å; A403-A405 PolarHBondContact O-N 3.41Å; A403-Y406 PolarHBondContact O-N 3.36Å; A403-M407 VanDerWaalsContact O-CG 3.26Å; A403-M407 WeakPolarHBondContact O-CG 3.42Å; A403-M407 PolarHBondContact O-N 3.25Å; A403-A418 HydrophobicContact CB-CB 4.15Å; A403-A418 WeakPolarHBondContact O-CB 3.47Å; A403-D421 HydrophobicContact CB-CB 3.75Å
404A98.8Very high97.4Very high9 Ų933.2 Ų33.27%0.07415%0.153CC..Hα-helixtrans-62.1-39.9176.800000112.2F373 G400 N401 R402 K408F373-A404 HydrophobicContact CE2-CB 4.01Å; F373-A404 HydrophobicContact CZ-CB 4.24Å; G400-A404 PolarHBondContact O-N 3.28Å; N401-A404 VanDerWaalsContact O-CB 3.3Å; N401-A404 WeakPolarHBondContact O-CB 3.34Å; N401-A404 PolarHBondContact O-N 2.77Å; N401-A404 VanDerWaalsContact O-N 3.17Å; R402-A404 VanDerWaalsContact C-N 3.26Å; R402-A404 PolarHBondContact O-N 2.98Å; A404-K408 WeakPolarHBondContact O-CG 3.47Å; A404-K408 PolarHBondContact O-N 3.49Å
405A98.8Very high97.5Very high0 Ų027.7 Ų27.70%013%0.127CC..Hα-helixtrans-67.9-42.8178.600000111.6F373 A381 I382 Y385 N401 R402 A403 M407 K408 R409F373-A405 HydrophobicContact CD2-CB 3.99Å; F373-A405 HydrophobicContact CE2-CB 4.22Å; A381-A405 HydrophobicContact CB-CB 4.33Å; I382-A405 HydrophobicContact CD1-CB 4.31Å; I382-A405 HydrophobicContact CG1-CB 3.56Å; Y385-A405 HydrophobicContact CD2-CB 4.5Å; Y385-A405 HydrophobicContact CE2-CB 4.46Å; N401-A405 PolarHBondContact O-N 2.98Å; N401-A405 VanDerWaalsContact O-N 3.16Å; R402-A405 WeakPolarHBondContact O-CB 3.4Å; R402-A405 PolarHBondContact O-N 3.04Å; A403-A405 VanDerWaalsContact C-N 3.31Å; A403-A405 PolarHBondContact O-N 3.41Å; A405-M407 PolarHBondContact O-N 2.79Å; A405-K408 PolarHBondContact O-N 2.93Å; A405-K408 VanDerWaalsContact O-N 3.11Å; A405-R409 PolarHBondContact O-N 3.34Å
406Y98.8Very high97.6Very high13 Ų1327 Ų275%0.05112%0.123CC..Hα-helixtrans-56.9-49172.1-76.9-55.2000112.2I382 R402 A403 K408 R409 K410 D414 D417I382-Y406 HydrophobicContact CD1-CD1 3.61Å; I382-Y406 HydrophobicContact CD1-CE1 3.88Å; I382-Y406 HydrophobicContact CD1-CG 4.27Å; I382-Y406 HydrophobicContact CG1-CD1 4.19Å; I382-Y406 HydrophobicContact CG1-CE1 4.25Å; I382-Y406 HydrophobicContact CG2-CD1 4.48Å; I382-Y406 HydrophobicContact CG2-CE1 3.72Å; R402-Y406 HydrophobicContact CG-CD2 4.02Å; R402-Y406 HydrophobicContact CG-CE2 3.59Å; R402-Y406 WeakPolarHBondContact O-CD2 3.5Å; R402-Y406 PolarHBondContact O-N 3.44Å; A403-Y406 PolarHBondContact O-N 3.36Å; Y406-K408 PolarHBondContact O-N 2.93Å; Y406-K408 VanDerWaalsContact O-N 3.09Å; Y406-R409 PolarHBondContact O-N 3.44Å; Y406-K410 PolarHBondContact O-N 3.39Å; Y406-D414 HydrophobicContact CD1-CB 4.32Å; Y406-D414 WeakPolarHBondContact O-CB 3.39Å; Y406-D417 HydrophobicContact CD1-CB 4.39Å; Y406-D417 HydrophobicContact CD2-CB 3.94Å; Y406-D417 HydrophobicContact CE1-CB 4.33Å; Y406-D417 HydrophobicContact CE2-CB 3.86Å; Y406-D417 HydrophobicContact CG-CB 4.22Å
407M98.6Very high97.7Very high31 Ų3127 Ų2715%0.15312%0.122CC..Hα-helixtrans-59.9-23.4177.8-66.8170.276.800113.6A403 A405 K410 A418 R438 R441A403-M407 VanDerWaalsContact O-CG 3.26Å; A403-M407 WeakPolarHBondContact O-CG 3.42Å; A403-M407 PolarHBondContact O-N 3.25Å; A405-M407 PolarHBondContact O-N 2.79Å; M407-K410 VanDerWaalsContact O-CG 3.24Å; M407-K410 WeakPolarHBondContact O-CG 3.42Å; M407-A418 HydrophobicContact CG-CB 3.61Å; M407-A418 HydrophobicContact SD-CB 4.41Å; M407-R438 HydrophobicContact CE-CB 4.37Å; M407-R438 HydrophobicContact CE-CG 4.29Å; M407-R438 HydrophobicContact SD-CB 3.82Å; M407-R438 HydrophobicContact SD-CG 3.74Å; M407-R441 HydrophobicContact CE-CB 3.75Å; M407-R441 HydrophobicContact CE-CG 3.56Å
408K98.4Very high97.8Very high119 Ų11924.3 Ų24.352%0.51711%0.109SC..Hα-helixtrans-89.2-37.8177.2-69.9-66.8-176.4177.50112.8F373 W378 A404 A405 Y406F373-K408 HydrophobicContact CE2-CG 4.25Å; F373-K408 HydrophobicContact CZ-CG 4.25Å; W378-K408 HydrophobicContact CD2-CB 3.63Å; W378-K408 HydrophobicContact CE3-CB 3.73Å; W378-K408 HydrophobicContact CE3-CG 4.31Å; W378-K408 HydrophobicContact CG-CB 4.16Å; W378-K408 HydrophobicContact CH2-CB 4.19Å; W378-K408 HydrophobicContact CH2-CD 4.45Å; W378-K408 HydrophobicContact CH2-CG 4.18Å; W378-K408 HydrophobicContact CZ2-CB 4.09Å; W378-K408 HydrophobicContact CZ2-CG 4.44Å; W378-K408 HydrophobicContact CZ3-CB 4.02Å; W378-K408 HydrophobicContact CZ3-CG 4.11Å; A404-K408 WeakPolarHBondContact O-CG 3.47Å; A404-K408 PolarHBondContact O-N 3.49Å; A405-K408 PolarHBondContact O-N 2.93Å; A405-K408 VanDerWaalsContact O-N 3.11Å; Y406-K408 PolarHBondContact O-N 2.93Å; Y406-K408 VanDerWaalsContact O-N 3.09Å
409R98.1Very high97.8Very high33 Ų3324.3 Ų24.313%0.12511%0.109CC..Hα-helixtrans-66.9-40.5176.9-172.3179.570.5166.24.2112.4W378 I382 A405 Y406 W411 D414W378-R409 HydrophobicContact CB-CB 3.75Å; W378-R409 HydrophobicContact CB-CG 4.28Å; W378-R409 HydrophobicContact CG-CB 4.4Å; I382-R409 HydrophobicContact CD1-CB 4.11Å; A405-R409 PolarHBondContact O-N 3.34Å; Y406-R409 PolarHBondContact O-N 3.44Å; R409-W411 VanDerWaalsContact C-N 3.29Å; R409-W411 HydrophobicContact CG-CD2 4.02Å; R409-W411 HydrophobicContact CG-CG 3.88Å; R409-W411 VanDerWaalsContact NH1-CE3 3.3Å; R409-W411 VanDerWaalsContact NH1-CZ3 3.29Å; R409-W411 PolarHBondContact O-N 2.73Å; R409-D414 WeakPolarHBondContact CB-OD2 3.34Å; R409-D414 IonicContact CZ-OD1 2.83Å; R409-D414 IonicContact CZ-OD2 2.9Å; R409-D414 IonicContact NE-OD1 3.65Å; R409-D414 IonicContact NE-OD2 2.68Å; R409-D414 PolarHBondContact NE-OD2 3.46Å; R409-D414 IonicContact NH2-OD1 3.91Å; R409-D414 PolarHBondContact NH2-OD1 3.08Å; R409-D414 IonicContact NH2-OD2 3.2Å
410K96.7Very high97.7Very high139 Ų13924.9 Ų24.960%0.60411%0.111SC*.  trans5832.3173.4-57.4179.6176.3-174.10115Y406 M407 D414Y406-K410 PolarHBondContact O-N 3.39Å; M407-K410 VanDerWaalsContact O-CG 3.24Å; M407-K410 WeakPolarHBondContact O-CG 3.42Å; K410-D414 PolarHBondContact N-OD2 2.99Å
411W97Very high97.7Very high23 Ų2325.4 Ų25.49%0.08711%0.113CC..  trans-69.5160.4167.2-69.32.4000110.5R409 G413 D414 C531 Q632R409-W411 VanDerWaalsContact C-N 3.29Å; R409-W411 HydrophobicContact CG-CD2 4.02Å; R409-W411 HydrophobicContact CG-CG 3.88Å; R409-W411 VanDerWaalsContact NH1-CE3 3.3Å; R409-W411 VanDerWaalsContact NH1-CZ3 3.29Å; R409-W411 PolarHBondContact O-N 2.73Å; W411-G413 PolarHBondContact O-N 3.42Å; W411-D414 WeakPolarHBondContact CB-OD2 3.37Å; W411-D414 PolarHBondContact N-OD2 3.49Å; W411-D414 VanDerWaalsContact O-CB 3.24Å; W411-D414 WeakPolarHBondContact O-CB 3.49Å; W411-D414 PolarHBondContact O-N 3.17Å; W411-C531 HydrophobicContact CE3-CB 3.74Å; W411-C531 HydrophobicContact CZ3-CB 3.87Å; W411-Q632 HydrophobicContact CB-CG 4.27Å; W411-Q632 HydrophobicContact CD2-CG 3.57Å; W411-Q632 HydrophobicContact CE3-CG 4Å; W411-Q632 HydrophobicContact CG-CG 3.68Å; W411-Q632 HydrophobicContact CZ2-CG 4.46Å
412D94.4Very high97.7Very high20 Ų2024.1 Ų24.111%0.10711%0.107CC..THydrogen-bonded Turntrans-55.9128.1178.5-77.6-24.6000109.4R267 R529 M635 N636R267-D412 IonicContact CZ-OD2 3.82Å; R267-D412 IonicContact NH1-OD2 3.85Å; R267-D412 PolarHBondContact NH1-OD2 2.68Å; R267-D412 IonicContact NH2-OD2 2.84Å; R267-D412 PolarHBondContact NH2-OD2 2.9Å; D412-R529 PolarHBondContact O-NH1 2.97Å; D412-M635 HydrophobicContact CB-CE 3.95Å; D412-M635 WeakPolarHBondContact OD2-CE 3.27Å; D412-N636 PolarHBondContact OD2-ND2 3.36Å; D412-N636 PolarHBondContact OD2-OD1 3.26Å
413G95.6Very high97.6Very high2 Ų223.6 Ų23.62%0.02111%0.106CC..THydrogen-bonded Turntrans87.6-12.9-175.600000116.2H254 W411 H415 Y416 D417H254-G413 WeakPolarHBondContact NE2-CA 3.44Å; W411-G413 PolarHBondContact O-N 3.42Å; G413-H415 VanDerWaalsContact C-N 3.33Å; G413-H415 PolarHBondContact O-N 3.27Å; G413-Y416 WeakPolarHBondContact O-CA 3.38Å; G413-Y416 WeakPolarHBondContact O-CB 3.01Å; G413-Y416 PolarHBondContact O-N 3.31Å; G413-D417 PolarHBondContact O-N 3.21Å; G413-D417 VanDerWaalsContact O-N 3.11Å
414D98.2Very high97.4Very high0 Ų027.5 Ų27.50%012%0.123CC..Hα-helixtrans-61.2-37.8-175.6-80.71.5000113.7Y406 R409 K410 W411 Y416 D417 A418 R529Y406-D414 HydrophobicContact CD1-CB 4.32Å; Y406-D414 WeakPolarHBondContact O-CB 3.39Å; R409-D414 WeakPolarHBondContact CB-OD2 3.34Å; R409-D414 IonicContact CZ-OD1 2.83Å; R409-D414 IonicContact CZ-OD2 2.9Å; R409-D414 IonicContact NE-OD1 3.65Å; R409-D414 IonicContact NE-OD2 2.68Å; R409-D414 PolarHBondContact NE-OD2 3.46Å; R409-D414 IonicContact NH2-OD1 3.91Å; R409-D414 PolarHBondContact NH2-OD1 3.08Å; R409-D414 IonicContact NH2-OD2 3.2Å; K410-D414 PolarHBondContact N-OD2 2.99Å; W411-D414 WeakPolarHBondContact CB-OD2 3.37Å; W411-D414 PolarHBondContact N-OD2 3.49Å; W411-D414 VanDerWaalsContact O-CB 3.24Å; W411-D414 WeakPolarHBondContact O-CB 3.49Å; W411-D414 PolarHBondContact O-N 3.17Å; D414-Y416 PolarHBondContact O-N 2.94Å; D414-D417 PolarHBondContact O-N 3.38Å; D414-A418 VanDerWaalsContact O-CB 3.32Å; D414-A418 WeakPolarHBondContact O-CB 3.31Å; D414-A418 PolarHBondContact O-N 2.94Å; D414-R529 IonicContact OD1-CZ 3.81Å; D414-R529 IonicContact OD1-NH1 3.17Å; D414-R529 IonicContact OD1-NH2 3.59Å; D414-R529 PolarHBondContact OD1-NH2 3.35Å
415H97.4Very high97.3Very high29 Ų2927.1 Ų27.113%0.13412%0.12CC..Hα-helixtrans-64.7-28.6176.7-66.882.9000112G413 L419 E445 L446G413-H415 VanDerWaalsContact C-N 3.33Å; G413-H415 PolarHBondContact O-N 3.27Å; H415-L419 WeakPolarHBondContact O-CB 3.32Å; H415-L419 PolarHBondContact O-N 2.95Å; H415-E445 HydrophobicContact CB-CB 4.44Å; H415-E445 WeakPolarHBondContact CD2-CB 3.48Å; H415-L446 HydrophobicContact CB-CD2 4.13Å; H415-L446 HydrophobicContact CB-CG 4.13Å
416Y97.3Very high97.1Very high0 Ų027.2 Ų27.20%012%0.12CC..Hα-helixtrans-77.1-41.3176.2-165.3-116.5000112G253 H254 Y304 G413 D414 A418 L419 R420 L446 D525 Y526G253-Y416 WeakPolarHBondContact CA-OH 3.15Å; H254-Y416 HydrophobicContact CB-CD1 4.16Å; H254-Y416 HydrophobicContact CB-CD2 3.74Å; H254-Y416 HydrophobicContact CB-CE2 4.34Å; H254-Y416 HydrophobicContact CB-CG 3.63Å; H254-Y416 AromaticContact CG-CG 3.89Å; H254-Y416 AromaticContact ND1-CD1 3.47Å; H254-Y416 WeakPolarHBondContact ND1-CD1 3.34Å; H254-Y416 AromaticContact ND1-CG 3.71Å; Y304-Y416 PolarHBondContact N-OH 3.22Å; G413-Y416 WeakPolarHBondContact O-CA 3.38Å; G413-Y416 WeakPolarHBondContact O-CB 3.01Å; G413-Y416 PolarHBondContact O-N 3.31Å; D414-Y416 PolarHBondContact O-N 2.94Å; Y416-A418 VanDerWaalsContact C-N 3.32Å; Y416-A418 PolarHBondContact O-N 3.48Å; Y416-L419 HydrophobicContact CE2-CD2 4.34Å; Y416-L419 WeakPolarHBondContact O-CB 3.48Å; Y416-L419 PolarHBondContact O-N 3.31Å; Y416-R420 HydrophobicContact CD1-CG 4.48Å; Y416-R420 HydrophobicContact CE1-CG 4.34Å; Y416-R420 WeakPolarHBondContact O-CG 3.41Å; Y416-R420 PolarHBondContact O-N 3.12Å; Y416-L446 HydrophobicContact CD2-CD1 3.92Å; Y416-D525 VanDerWaalsContact CE1-OD2 3.29Å; Y416-D525 WeakPolarHBondContact CE1-OD2 3.38Å; Y416-D525 PolarHBondContact OH-OD2 3.47Å; Y416-Y526 AromaticContact CD1-CE1 3.84Å; Y416-Y526 HydrophobicContact CD1-CE1 3.84Å; Y416-Y526 AromaticContact CE1-CE1 3.9Å; Y416-Y526 HydrophobicContact CE1-CE1 3.9Å
417D98.1Very high96.8Very high11 Ų1129.8 Ų29.86%0.05914%0.14CC..Hα-helixtrans-63.8-38.9171.6-83-31.8000112.1Y406 G413 D414 L419 R420 D421 Y526 R529Y406-D417 HydrophobicContact CD1-CB 4.39Å; Y406-D417 HydrophobicContact CD2-CB 3.94Å; Y406-D417 HydrophobicContact CE1-CB 4.33Å; Y406-D417 HydrophobicContact CE2-CB 3.86Å; Y406-D417 HydrophobicContact CG-CB 4.22Å; G413-D417 PolarHBondContact O-N 3.21Å; G413-D417 VanDerWaalsContact O-N 3.11Å; D414-D417 PolarHBondContact O-N 3.38Å; D417-L419 VanDerWaalsContact C-N 3.33Å; D417-L419 PolarHBondContact O-N 2.87Å; D417-R420 PolarHBondContact O-N 2.93Å; D417-R420 IonicContact OD1-NH1 3.79Å; D417-R420 PolarHBondContact OD1-NH1 3.41Å; D417-D421 WeakPolarHBondContact O-CB 3.46Å; D417-D421 PolarHBondContact O-N 2.86Å; D417-Y526 PolarHBondContact OD1-OH 2.95Å; D417-R529 IonicContact OD2-CZ 3.06Å; D417-R529 IonicContact OD2-NE 2.73Å; D417-R529 PolarHBondContact OD2-NE 3.3Å; D417-R529 IonicContact OD2-NH2 3.6Å; D417-R529 PolarHBondContact OD2-NH2 3.37Å
418A98.6Very high96.6Very high0 Ų029.7 Ų29.70%014%0.14CC..Hα-helixtrans-61.1-41.6173.100000112A403 M407 D414 Y416 D421 C422 C442A403-A418 HydrophobicContact CB-CB 4.15Å; A403-A418 WeakPolarHBondContact O-CB 3.47Å; M407-A418 HydrophobicContact CG-CB 3.61Å; M407-A418 HydrophobicContact SD-CB 4.41Å; D414-A418 VanDerWaalsContact O-CB 3.32Å; D414-A418 WeakPolarHBondContact O-CB 3.31Å; D414-A418 PolarHBondContact O-N 2.94Å; Y416-A418 VanDerWaalsContact C-N 3.32Å; Y416-A418 PolarHBondContact O-N 3.48Å; A418-D421 PolarHBondContact O-N 3.14Å; A418-C422 WeakPolarHBondContact O-CB 3.46Å; A418-C422 PolarHBondContact O-N 3.07Å; A418-C422 PolarHBondContact O-SG 2.77Å; A418-C442 VanDerWaalsContact CB-SG 3.58Å
419L97.4Very high96.4Very high0 Ų025 Ų250%012%0.121CC..Hα-helixtrans-59.9-49173.6178.8147.9000111.4Y304 F306 H415 Y416 D417 D421 C422 L423 L439 C442 L443 L446Y304-L419 HydrophobicContact CD2-CD2 3.98Å; Y304-L419 HydrophobicContact CG-CD2 4.01Å; F306-L419 HydrophobicContact CE2-CD1 4.33Å; H415-L419 WeakPolarHBondContact O-CB 3.32Å; H415-L419 PolarHBondContact O-N 2.95Å; Y416-L419 HydrophobicContact CE2-CD2 4.34Å; Y416-L419 WeakPolarHBondContact O-CB 3.48Å; Y416-L419 PolarHBondContact O-N 3.31Å; D417-L419 VanDerWaalsContact C-N 3.33Å; D417-L419 PolarHBondContact O-N 2.87Å; L419-D421 PolarHBondContact O-N 2.68Å; L419-C422 PolarHBondContact O-N 2.81Å; L419-L423 HydrophobicContact CD2-CD1 3.61Å; L419-L423 HydrophobicContact CD2-CG 4.49Å; L419-L423 HydrophobicContact CG-CD1 4.39Å; L419-L423 WeakPolarHBondContact O-CG 3.36Å; L419-L423 PolarHBondContact O-N 2.93Å; L419-L439 HydrophobicContact CD1-CD1 4.14Å; L419-L439 HydrophobicContact CG-CD1 3.72Å; L419-C442 HydrophobicContact CB-CB 3.84Å; L419-C442 HydrophobicContact CD1-CB 4.42Å; L419-L443 HydrophobicContact CD1-CD2 3.63Å; L419-L443 HydrophobicContact CD1-CG 4Å; L419-L446 HydrophobicContact CB-CD1 4.31Å; L419-L446 HydrophobicContact CD1-CD1 3.71Å
420R96.7Very high96.1Very high35 Ų3524.4 Ų24.413%0.13212%0.121CC..Hα-helixtrans-59.7-44.3178.2-68.7170.174.2-130.63.8111.4Y304 Y416 D417 L423 K424 D525 Y526 Q527Y304-R420 HydrophobicContact CD2-CG 3.93Å; Y304-R420 HydrophobicContact CE2-CG 3.99Å; Y416-R420 HydrophobicContact CD1-CG 4.48Å; Y416-R420 HydrophobicContact CE1-CG 4.34Å; Y416-R420 WeakPolarHBondContact O-CG 3.41Å; Y416-R420 PolarHBondContact O-N 3.12Å; D417-R420 PolarHBondContact O-N 2.93Å; D417-R420 IonicContact OD1-NH1 3.79Å; D417-R420 PolarHBondContact OD1-NH1 3.41Å; R420-L423 PolarHBondContact O-N 3.45Å; R420-K424 WeakPolarHBondContact O-CB 3.45Å; R420-K424 PolarHBondContact O-N 3.19Å; R420-D525 IonicContact NE-OD2 3.65Å; R420-Y526 PolarHBondContact NH2-O 3.44Å; R420-Q527 PolarHBondContact NH2-O 3.09Å
421D98Very high95.8Very high10 Ų1020.9 Ų20.95%0.05311%0.113CC..Hα-helixtrans-65.1-38.9175.9-86.6-0.3000112.4Y399 R402 A403 D417 A418 L419 K424 A425Y399-D421 WeakPolarHBondContact CD1-OD1 3.38Å; R402-D421 WeakPolarHBondContact CB-OD2 3.14Å; R402-D421 IonicContact CZ-OD1 3.7Å; R402-D421 IonicContact CZ-OD2 2.65Å; R402-D421 IonicContact NE-OD1 2.73Å; R402-D421 IonicContact NE-OD2 2.85Å; R402-D421 PolarHBondContact NE-OD2 2.68Å; R402-D421 IonicContact NH2-OD1 3.7Å; R402-D421 PolarHBondContact NH2-OD1 3.1Å; R402-D421 IonicContact NH2-OD2 3.21Å; R402-D421 PolarHBondContact NH2-OD2 2.68Å; A403-D421 HydrophobicContact CB-CB 3.75Å; D417-D421 WeakPolarHBondContact O-CB 3.46Å; D417-D421 PolarHBondContact O-N 2.86Å; A418-D421 PolarHBondContact O-N 3.14Å; L419-D421 PolarHBondContact O-N 2.68Å; D421-K424 PolarHBondContact O-N 2.8Å; D421-A425 WeakPolarHBondContact O-CB 2.9Å; D421-A425 PolarHBondContact O-N 2.89Å
422C98Very high95.7Very high0 Ų020.8 Ų20.80%011%0.114CC..Hα-helixtrans-62.7-45.1175.2-70.10000111.3A418 L419 K424 A425 I426 A435 R438 L439A418-C422 WeakPolarHBondContact O-CB 3.46Å; A418-C422 PolarHBondContact O-N 3.07Å; A418-C422 PolarHBondContact O-SG 2.77Å; L419-C422 PolarHBondContact O-N 2.81Å; C422-K424 VanDerWaalsContact C-N 3.35Å; C422-K424 PolarHBondContact O-N 3.46Å; C422-A425 PolarHBondContact O-N 2.82Å; C422-I426 WeakPolarHBondContact O-CD1 3.5Å; C422-I426 VanDerWaalsContact O-CG1 3.24Å; C422-I426 WeakPolarHBondContact O-CG1 3.27Å; C422-I426 PolarHBondContact O-N 2.93Å; C422-A435 HydrophobicContact CB-CB 4.38Å; C422-R438 WeakPolarHBondContact SG-CB 3.28Å; C422-L439 HydrophobicContact CB-CB 4.03Å; C422-L439 HydrophobicContact CB-CD1 4.41Å
423L95.6Very high95.8Very high22 Ų2222.7 Ų22.712%0.11512%0.124CC..Hα-helixtrans-62.4-42.5176.2-69.8171.8000111.8Y304 F343 L345 L419 R420 I426 S427 L439Y304-L423 HydrophobicContact CD1-CD1 3.4Å; Y304-L423 VanDerWaalsContact CD1-CD1 3.4Å; Y304-L423 HydrophobicContact CD2-CD1 3.78Å; Y304-L423 HydrophobicContact CE1-CD1 3.42Å; Y304-L423 VanDerWaalsContact CE1-CD1 3.42Å; Y304-L423 HydrophobicContact CE2-CD1 3.78Å; Y304-L423 HydrophobicContact CG-CD1 3.58Å; F343-L423 HydrophobicContact CE2-CD2 4.03Å; L345-L423 HydrophobicContact CD2-CD2 4.46Å; L419-L423 HydrophobicContact CD2-CD1 3.61Å; L419-L423 HydrophobicContact CD2-CG 4.49Å; L419-L423 HydrophobicContact CG-CD1 4.39Å; L419-L423 WeakPolarHBondContact O-CG 3.36Å; L419-L423 PolarHBondContact O-N 2.93Å; R420-L423 PolarHBondContact O-N 3.45Å; L423-I426 PolarHBondContact O-N 3.32Å; L423-S427 WeakPolarHBondContact O-CB 3.38Å; L423-S427 PolarHBondContact O-N 3.47Å; L423-L439 HydrophobicContact CD2-CD1 4.12Å; L423-L439 HydrophobicContact CD2-CD2 3.65Å; L423-L439 HydrophobicContact CG-CD1 4.05Å; L423-L439 HydrophobicContact CG-CD2 4.37Å
424K94.7Very high95.8Very high82 Ų8228.6 Ų28.636%0.35715%0.149SC..Hα-helixtrans-62.2-45.1174.9-17458.2174.6-178.50111.5Y399 R420 D421 C422 I426 S427 L428Y399-K424 HydrophobicContact CD1-CB 4.05Å; Y399-K424 HydrophobicContact CD1-CG 3.74Å; Y399-K424 HydrophobicContact CD2-CG 3.89Å; Y399-K424 HydrophobicContact CE1-CB 4.28Å; Y399-K424 HydrophobicContact CE1-CG 3.57Å; Y399-K424 HydrophobicContact CE2-CG 3.72Å; Y399-K424 HydrophobicContact CG-CB 4.23Å; Y399-K424 HydrophobicContact CG-CG 3.89Å; R420-K424 WeakPolarHBondContact O-CB 3.45Å; R420-K424 PolarHBondContact O-N 3.19Å; D421-K424 PolarHBondContact O-N 2.8Å; C422-K424 VanDerWaalsContact C-N 3.35Å; C422-K424 PolarHBondContact O-N 3.46Å; K424-I426 VanDerWaalsContact C-N 3.35Å; K424-I426 PolarHBondContact O-N 2.81Å; K424-S427 PolarHBondContact O-N 2.76Å; K424-S427 PolarHBondContact O-OG 3.39Å; K424-L428 HydrophobicContact CD-CD1 4.44Å; K424-L428 HydrophobicContact CG-CD1 4.3Å; K424-L428 WeakPolarHBondContact O-CG 3.3Å; K424-L428 PolarHBondContact O-N 3.06Å; K424-L428 VanDerWaalsContact O-N 3.17Å
425A96.3Very high95.7Very high0 Ų028.6 Ų28.60%015%0.149CC..Hα-helixtrans-59.4-43.6176.200000112.2A396 D421 C422 L428 N429 A435A396-A425 WeakPolarHBondContact CB-O 3.38Å; A396-A425 WeakPolarHBondContact O-CB 3.43Å; D421-A425 WeakPolarHBondContact O-CB 2.9Å; D421-A425 PolarHBondContact O-N 2.89Å; C422-A425 PolarHBondContact O-N 2.82Å; A425-L428 PolarHBondContact O-N 3.03Å; A425-N429 PolarHBondContact O-N 3.21Å; A425-A435 HydrophobicContact CB-CB 3.85Å
426I94.8Very high95.7Very high3 Ų327.2 Ų27.22%0.01514%0.142CC..Hα-helixtrans-67.5-39.1178.1-66.3161.8000111.3L345 C422 L423 K424 L428 N429 P430 A435 L439L345-I426 HydrophobicContact CD2-CD1 4.17Å; L345-I426 HydrophobicContact CD2-CG2 4.15Å; C422-I426 WeakPolarHBondContact O-CD1 3.5Å; C422-I426 VanDerWaalsContact O-CG1 3.24Å; C422-I426 WeakPolarHBondContact O-CG1 3.27Å; C422-I426 PolarHBondContact O-N 2.93Å; L423-I426 PolarHBondContact O-N 3.32Å; K424-I426 VanDerWaalsContact C-N 3.35Å; K424-I426 PolarHBondContact O-N 2.81Å; I426-L428 PolarHBondContact O-N 2.89Å; I426-N429 CarbonylContact O-C 3.07Å; I426-N429 PolarHBondContact O-N 2.78Å; I426-P430 WeakPolarHBondContact O-CA 3.41Å; I426-A435 HydrophobicContact CD1-CB 4.33Å; I426-A435 HydrophobicContact CG1-CB 3.87Å; I426-L439 HydrophobicContact CD1-CD2 3.74Å
427S93.2Very high95.7Very high67 Ų6729.5 Ų29.547%0.46915%0.152SC..Hα-helixtrans-62.2-31.6176.876.20000112.9L423 K424L423-S427 WeakPolarHBondContact O-CB 3.38Å; L423-S427 PolarHBondContact O-N 3.47Å; K424-S427 PolarHBondContact O-N 2.76Å; K424-S427 PolarHBondContact O-OG 3.39Å
428L93.7Very high95.6Very high28 Ų2831 Ų3115%0.14716%0.157CC..Hα-helixtrans-86.5-33178.5-67.6171.4000112.4S353 H394 A396 Y399 K424 A425 I426S353-L428 PolarHBondContact OG-O 3.43Å; H394-L428 HydrophobicContact CB-CD2 4.46Å; A396-L428 HydrophobicContact CB-CB 3.74Å; A396-L428 HydrophobicContact CB-CD1 4.48Å; Y399-L428 HydrophobicContact CD2-CD1 3.83Å; Y399-L428 HydrophobicContact CE2-CD1 3.72Å; K424-L428 HydrophobicContact CD-CD1 4.44Å; K424-L428 HydrophobicContact CG-CD1 4.3Å; K424-L428 WeakPolarHBondContact O-CG 3.3Å; K424-L428 PolarHBondContact O-N 3.06Å; K424-L428 VanDerWaalsContact O-N 3.17Å; A425-L428 PolarHBondContact O-N 3.03Å; I426-L428 PolarHBondContact O-N 2.89Å
429N93.6Very high95.6Very high22 Ų2231 Ų3112%0.11816%0.157CC..  trans-140.796.2175.7177.34000109.7A396 A425 I426 C431 H432A396-N429 HydrophobicContact CB-CB 3.67Å; A425-N429 PolarHBondContact O-N 3.21Å; I426-N429 CarbonylContact O-C 3.07Å; I426-N429 PolarHBondContact O-N 2.78Å; N429-C431 PolarHBondContact O-N 2.88Å; N429-C431 PolarHBondContact OD1-N 2.91Å; N429-H432 HydrophobicContact CB-CB 4.14Å; N429-H432 WeakPolarHBondContact O-CB 2.9Å; N429-H432 PolarHBondContact O-N 2.95Å
430P92Very high95.5Very high19 Ų1931 Ų3112%0.12316%0.157CC..THydrogen-bonded Turntrans-58.5-20.6179.8-28.836.7000114.6I426 H436 K462I426-P430 WeakPolarHBondContact O-CA 3.41Å; P430-H436 PolarHBondContact O-NE2 3.22Å; P430-K462 VanDerWaalsContact O-CE 3.27Å; P430-K462 WeakPolarHBondContact O-CE 3.37Å; P430-K462 PolarHBondContact O-NZ 2.99Å
431C91.8Very high95.5Very high65 Ų6532.7 Ų32.744%0.43916%0.164SC..THydrogen-bonded Turntrans-93.412.1177.3-60.70000113.3N429 L433N429-C431 PolarHBondContact O-N 2.88Å; N429-C431 PolarHBondContact OD1-N 2.91Å; C431-L433 VanDerWaalsContact C-N 3.33Å; C431-L433 PolarHBondContact O-N 2.85Å
432H94.4Very high95.5Very high22 Ų2232.2 Ų32.210%0.10216%0.161CC..  trans-7182.3-177.7-167.2-49.7000112.6N429 K434 A435 H436N429-H432 HydrophobicContact CB-CB 4.14Å; N429-H432 WeakPolarHBondContact O-CB 2.9Å; N429-H432 PolarHBondContact O-N 2.95Å; H432-K434 PolarHBondContact O-N 3.14Å; H432-A435 HydrophobicContact CB-CB 4.12Å; H432-A435 VanDerWaalsContact ND1-CB 3.35Å; H432-A435 WeakPolarHBondContact ND1-CB 3.09Å; H432-A435 PolarHBondContact ND1-N 2.88Å; H432-A435 WeakPolarHBondContact O-CB 3.32Å; H432-A435 PolarHBondContact O-N 2.56Å; H432-H436 PolarHBondContact O-CD2 3.29Å; H432-H436 PolarHBondContact O-N 2.96Å
433L95.4Very high95.3Very high60 Ų6032.2 Ų32.231%0.31416%0.161SC..Hα-helixtrans-44.4-52.5-174.6-176.4144.2000114.7C431 A435 H436 F437 F459 F463 Q466C431-L433 VanDerWaalsContact C-N 3.33Å; C431-L433 PolarHBondContact O-N 2.85Å; L433-A435 VanDerWaalsContact C-N 3.27Å; L433-A435 PolarHBondContact O-N 2.79Å; L433-H436 PolarHBondContact O-N 3Å; L433-F437 PolarHBondContact O-N 2.97Å; L433-F459 HydrophobicContact CG-CE2 4.31Å; L433-F463 HydrophobicContact CB-CD1 4.24Å; L433-F463 HydrophobicContact CB-CE1 3.95Å; L433-F463 HydrophobicContact CB-CZ 4.15Å; L433-F463 HydrophobicContact CD1-CB 4.26Å; L433-F463 HydrophobicContact CD1-CD1 3.68Å; L433-F463 HydrophobicContact CD1-CE1 4.21Å; L433-F463 HydrophobicContact CD1-CG 4Å; L433-F463 HydrophobicContact CG-CD1 4.13Å; L433-F463 HydrophobicContact CG-CE1 4.35Å; L433-F463 HydrophobicContact CG-CG 4.24Å; L433-Q466 HydrophobicContact CD1-CG 3.91Å
434K96.9Very high95.3Very high125 Ų12532.5 Ų32.554%0.54316%0.161SC..Hα-helixtrans-65.5-27.7-177.6-64.5-179.6-178.4174.90113.4H432 R438H432-K434 PolarHBondContact O-N 3.14Å; K434-R438 VanDerWaalsContact O-CB 3.31Å; K434-R438 WeakPolarHBondContact O-CB 3.33Å; K434-R438 VanDerWaalsContact O-CD 3.29Å; K434-R438 WeakPolarHBondContact O-CD 3.46Å; K434-R438 WeakPolarHBondContact O-CG 3.32Å; K434-R438 PolarHBondContact O-N 2.89Å; K434-R438 VanDerWaalsContact O-N 3.12Å
435A96.4Very high95.3Very high0 Ų031.5 Ų31.50%016%0.158CC..Hα-helixtrans-77-40-177.800000110.4C422 A425 I426 H432 L433 R438 L439C422-A435 HydrophobicContact CB-CB 4.38Å; A425-A435 HydrophobicContact CB-CB 3.85Å; I426-A435 HydrophobicContact CD1-CB 4.33Å; I426-A435 HydrophobicContact CG1-CB 3.87Å; H432-A435 HydrophobicContact CB-CB 4.12Å; H432-A435 VanDerWaalsContact ND1-CB 3.35Å; H432-A435 WeakPolarHBondContact ND1-CB 3.09Å; H432-A435 PolarHBondContact ND1-N 2.88Å; H432-A435 WeakPolarHBondContact O-CB 3.32Å; H432-A435 PolarHBondContact O-N 2.56Å; L433-A435 VanDerWaalsContact C-N 3.27Å; L433-A435 PolarHBondContact O-N 2.79Å; A435-R438 PolarHBondContact O-N 2.73Å; A435-L439 VanDerWaalsContact O-CB 3.3Å; A435-L439 WeakPolarHBondContact O-CB 3.29Å; A435-L439 PolarHBondContact O-N 3.4Å
436H96.1Very high95.1Very high1 Ų131.6 Ų31.61%0.00516%0.158CC..Hα-helixtrans-59.5-48.3172.9-74.9-80.1000112.2P430 H432 L433 R438 L439 A440 F459 F463P430-H436 PolarHBondContact O-NE2 3.22Å; H432-H436 PolarHBondContact O-CD2 3.29Å; H432-H436 PolarHBondContact O-N 2.96Å; L433-H436 PolarHBondContact O-N 3Å; H436-R438 PolarHBondContact O-N 3Å; H436-L439 WeakPolarHBondContact O-CB 3.03Å; H436-L439 PolarHBondContact O-N 3Å; H436-A440 PolarHBondContact O-N 2.88Å; H436-F459 HydrophobicContact CB-CD2 3.72Å; H436-F459 HydrophobicContact CB-CE2 4.45Å; H436-F463 HydrophobicContact CB-CE2 4Å; H436-F463 AromaticContact CD2-CE2 3.57Å; H436-F463 AromaticContact CD2-CZ 3.85Å; H436-F463 AromaticContact CG-CE2 3.87Å
437F97.1Very high94.9Very high48 Ų4837.7 Ų37.721%0.21119%0.185CC..Hα-helixtrans-62.8-43.8177.7-177.6-105.8000112.6L433 L439 A440 R441 L456 F459 A471 C472 L475L433-F437 PolarHBondContact O-N 2.97Å; F437-L439 VanDerWaalsContact C-N 3.29Å; F437-L439 PolarHBondContact O-N 3.36Å; F437-A440 PolarHBondContact O-N 2.9Å; F437-R441 PolarHBondContact O-N 3.27Å; F437-L456 HydrophobicContact CE2-CD1 4.44Å; F437-F459 HydrophobicContact CB-CD2 4.14Å; F437-F459 HydrophobicContact CB-CE2 3.72Å; F437-F459 HydrophobicContact CB-CZ 3.97Å; F437-F459 HydrophobicContact CD2-CD1 4.31Å; F437-F459 AromaticContact CD2-CE1 3.97Å; F437-F459 HydrophobicContact CD2-CE1 3.97Å; F437-F459 HydrophobicContact CD2-CZ 4.12Å; F437-F459 HydrophobicContact CG-CZ 4.4Å; F437-A471 HydrophobicContact CE1-CB 4.27Å; F437-A471 HydrophobicContact CZ-CB 3.87Å; F437-C472 HydrophobicContact CE2-CB 4.39Å; F437-L475 HydrophobicContact CE2-CB 4.43Å; F437-L475 HydrophobicContact CE2-CD2 3.89Å; F437-L475 HydrophobicContact CZ-CB 4.43Å; F437-L475 HydrophobicContact CZ-CD2 4.12Å
438R97.9Very high94.8Very high43 Ų4334.7 Ų34.716%0.16216%0.163CC..Hα-helixtrans-65.1-33.7177.9-74.1169.4-173.4150.2-1.7112.2G400 M407 C422 K434 A435 H436 R441 C442G400-R438 PolarHBondContact O-NH1 3.4Å; M407-R438 HydrophobicContact CE-CB 4.37Å; M407-R438 HydrophobicContact CE-CG 4.29Å; M407-R438 HydrophobicContact SD-CB 3.82Å; M407-R438 HydrophobicContact SD-CG 3.74Å; C422-R438 WeakPolarHBondContact SG-CB 3.28Å; K434-R438 VanDerWaalsContact O-CB 3.31Å; K434-R438 WeakPolarHBondContact O-CB 3.33Å; K434-R438 VanDerWaalsContact O-CD 3.29Å; K434-R438 WeakPolarHBondContact O-CD 3.46Å; K434-R438 WeakPolarHBondContact O-CG 3.32Å; K434-R438 PolarHBondContact O-N 2.89Å; K434-R438 VanDerWaalsContact O-N 3.12Å; A435-R438 PolarHBondContact O-N 2.73Å; H436-R438 PolarHBondContact O-N 3Å; R438-R441 PolarHBondContact O-N 2.76Å; R438-C442 PolarHBondContact O-N 3.45Å; R438-C442 PolarHBondContact O-SG 2.56Å
439L96.9Very high94.7Very high0 Ų034.4 Ų34.40%016%0.162CC..Hα-helixtrans-60-49.3175.8-179.156.2000111.3F343 L345 L419 C422 L423 I426 A435 H436 F437 R441 C442 L443F343-L439 HydrophobicContact CE2-CD2 4.13Å; F343-L439 HydrophobicContact CZ-CD2 3.66Å; F343-L439 HydrophobicContact CZ-CG 4.41Å; L345-L439 HydrophobicContact CD2-CD2 4.05Å; L419-L439 HydrophobicContact CD1-CD1 4.14Å; L419-L439 HydrophobicContact CG-CD1 3.72Å; C422-L439 HydrophobicContact CB-CB 4.03Å; C422-L439 HydrophobicContact CB-CD1 4.41Å; L423-L439 HydrophobicContact CD2-CD1 4.12Å; L423-L439 HydrophobicContact CD2-CD2 3.65Å; L423-L439 HydrophobicContact CG-CD1 4.05Å; L423-L439 HydrophobicContact CG-CD2 4.37Å; I426-L439 HydrophobicContact CD1-CD2 3.74Å; A435-L439 VanDerWaalsContact O-CB 3.3Å; A435-L439 WeakPolarHBondContact O-CB 3.29Å; A435-L439 PolarHBondContact O-N 3.4Å; H436-L439 WeakPolarHBondContact O-CB 3.03Å; H436-L439 PolarHBondContact O-N 3Å; F437-L439 VanDerWaalsContact C-N 3.29Å; F437-L439 PolarHBondContact O-N 3.36Å; L439-R441 VanDerWaalsContact C-N 3.3Å; L439-R441 PolarHBondContact O-N 3Å; L439-C442 PolarHBondContact O-N 2.64Å; L439-C442 VanDerWaalsContact O-N 3.15Å; L439-L443 HydrophobicContact CD1-CD1 4.5Å; L439-L443 HydrophobicContact CG-CD1 4.35Å; L439-L443 WeakPolarHBondContact O-CG 3.29Å; L439-L443 PolarHBondContact O-N 3.31Å
440A95.8Very high94.5Very high0 Ų035.2 Ų35.20%017%0.172CC..Hα-helixtrans-57.6-42.917500000111.8H436 F437 L443 F444 C455 L456 L475H436-A440 PolarHBondContact O-N 2.88Å; F437-A440 PolarHBondContact O-N 2.9Å; A440-L443 PolarHBondContact O-N 2.66Å; A440-F444 PolarHBondContact O-N 3.48Å; A440-F444 VanDerWaalsContact O-N 3.11Å; A440-C455 HydrophobicContact CB-CB 4.14Å; A440-L456 HydrophobicContact CB-CB 4.23Å; A440-L456 HydrophobicContact CB-CD1 4.46Å; A440-L475 HydrophobicContact CB-CD2 4.05Å
441R97.5Very high94.4Very high70 Ų7035.4 Ų35.426%0.26417%0.171SC..Hα-helixtrans-64.1-43.1175.8-173.566.1-176.5-165.65.4112.1M407 F437 R438 L439 F444 E445 L475 D478M407-R441 HydrophobicContact CE-CB 3.75Å; M407-R441 HydrophobicContact CE-CG 3.56Å; F437-R441 PolarHBondContact O-N 3.27Å; R438-R441 PolarHBondContact O-N 2.76Å; L439-R441 VanDerWaalsContact C-N 3.3Å; L439-R441 PolarHBondContact O-N 3Å; R441-F444 PolarHBondContact O-N 3.37Å; R441-E445 HydrophobicContact CG-CG 4.36Å; R441-E445 IonicContact CZ-OE1 3.14Å; R441-E445 IonicContact NE-OE1 3.47Å; R441-E445 PolarHBondContact NE-OE1 2.69Å; R441-E445 IonicContact NH2-OE1 3.65Å; R441-E445 PolarHBondContact NH2-OE1 2.92Å; R441-E445 VanDerWaalsContact O-CG 3.27Å; R441-E445 WeakPolarHBondContact O-CG 3.49Å; R441-E445 PolarHBondContact O-N 2.79Å; R441-L475 HydrophobicContact CB-CD2 4.17Å; R441-D478 IonicContact CZ-OD2 3.92Å; R441-D478 IonicContact NH1-OD2 2.77Å; R441-D478 PolarHBondContact NH1-OD2 2.77Å
442C97Very high94.5Very high0 Ų032.3 Ų32.30%015%0.151CC..Hα-helixtrans-63.9-42.3179.4-650000111.5A418 L419 R438 L439 F444 E445 L446A418-C442 VanDerWaalsContact CB-SG 3.58Å; L419-C442 HydrophobicContact CB-CB 3.84Å; L419-C442 HydrophobicContact CD1-CB 4.42Å; R438-C442 PolarHBondContact O-N 3.45Å; R438-C442 PolarHBondContact O-SG 2.56Å; L439-C442 PolarHBondContact O-N 2.64Å; L439-C442 VanDerWaalsContact O-N 3.15Å; C442-F444 VanDerWaalsContact C-N 3.31Å; C442-F444 PolarHBondContact O-N 2.85Å; C442-E445 PolarHBondContact O-N 2.75Å; C442-L446 VanDerWaalsContact O-CB 3.32Å; C442-L446 WeakPolarHBondContact O-CB 3.43Å; C442-L446 WeakPolarHBondContact O-CD1 3.28Å; C442-L446 WeakPolarHBondContact O-CG 3.39Å; C442-L446 PolarHBondContact O-N 2.75Å
443L94.8Very high94.5Very high0 Ų033.7 Ų33.70%016%0.158CC..Hα-helixtrans-57.2-45.3174.4-72.7167.2000111.4F306 L419 L439 A440 L446 K447 Y448 E451 A452 C455F306-L443 HydrophobicContact CD2-CD2 3.57Å; F306-L443 HydrophobicContact CE2-CD2 3.39Å; F306-L443 HydrophobicContact CG-CD2 4.34Å; F306-L443 HydrophobicContact CZ-CD2 4.02Å; L419-L443 HydrophobicContact CD1-CD2 3.63Å; L419-L443 HydrophobicContact CD1-CG 4Å; L439-L443 HydrophobicContact CD1-CD1 4.5Å; L439-L443 HydrophobicContact CG-CD1 4.35Å; L439-L443 WeakPolarHBondContact O-CG 3.29Å; L439-L443 PolarHBondContact O-N 3.31Å; A440-L443 PolarHBondContact O-N 2.66Å; L443-L446 CarbonylContact O-C 3.5Å; L443-L446 PolarHBondContact O-N 3.2Å; L443-K447 PolarHBondContact O-N 2.96Å; L443-Y448 HydrophobicContact CD2-CD2 3.98Å; L443-Y448 HydrophobicContact CD2-CG 4.29Å; L443-Y448 WeakPolarHBondContact O-CB 3.28Å; L443-Y448 PolarHBondContact O-N 2.86Å; L443-E451 HydrophobicContact CD1-CB 4.37Å; L443-E451 HydrophobicContact CD2-CB 4.43Å; L443-A452 HydrophobicContact CB-CB 3.82Å; L443-C455 HydrophobicContact CD1-CB 3.75Å
444F94.8Very high94.3Very high28 Ų2836.6 Ų36.612%0.12317%0.171CC..Hα-helixtrans-61.3-47.8177175.2-105.6000112.6A440 R441 C442 L446 K447 A452 L475 D478 I479 A482A440-F444 PolarHBondContact O-N 3.48Å; A440-F444 VanDerWaalsContact O-N 3.11Å; R441-F444 PolarHBondContact O-N 3.37Å; C442-F444 VanDerWaalsContact C-N 3.31Å; C442-F444 PolarHBondContact O-N 2.85Å; F444-L446 PolarHBondContact O-N 2.76Å; F444-K447 PolarHBondContact O-N 2.94Å; F444-A452 HydrophobicContact CB-CB 3.87Å; F444-L475 HydrophobicContact CB-CD1 4.2Å; F444-L475 HydrophobicContact CD1-CD1 4.2Å; F444-L475 HydrophobicContact CG-CD1 4.2Å; F444-D478 HydrophobicContact CE1-CB 4.01Å; F444-D478 HydrophobicContact CE2-CB 4.25Å; F444-D478 HydrophobicContact CZ-CB 3.7Å; F444-I479 HydrophobicContact CB-CG1 4.31Å; F444-I479 HydrophobicContact CD2-CB 4.42Å; F444-I479 HydrophobicContact CD2-CG1 3.59Å; F444-I479 HydrophobicContact CE2-CG1 4.19Å; F444-I479 HydrophobicContact CG-CG1 4.11Å; F444-A482 HydrophobicContact CE2-CB 3.82Å
445E94.4Very high94.1Very high60 Ų6030.7 Ų30.728%0.2815%0.145SC..Hα-helixtrans-65.1-29.7178.9-63.3-71.5177.900112.1H415 R441 C442 K447H415-E445 HydrophobicContact CB-CB 4.44Å; H415-E445 WeakPolarHBondContact CD2-CB 3.48Å; R441-E445 HydrophobicContact CG-CG 4.36Å; R441-E445 IonicContact CZ-OE1 3.14Å; R441-E445 IonicContact NE-OE1 3.47Å; R441-E445 PolarHBondContact NE-OE1 2.69Å; R441-E445 IonicContact NH2-OE1 3.65Å; R441-E445 PolarHBondContact NH2-OE1 2.92Å; R441-E445 VanDerWaalsContact O-CG 3.27Å; R441-E445 WeakPolarHBondContact O-CG 3.49Å; R441-E445 PolarHBondContact O-N 2.79Å; C442-E445 PolarHBondContact O-N 2.75Å; E445-K447 VanDerWaalsContact C-N 3.25Å; E445-K447 PolarHBondContact O-N 3.33Å
446L92.9Very high94Very high2 Ų230.7 Ų30.71%0.0115%0.145CC..THydrogen-bonded Turntrans-82.95.9173.4-67.9166.9000113.8H254 H415 Y416 L419 C442 L443 F444 Y448H254-L446 HydrophobicContact CB-CD2 4.11Å; H415-L446 HydrophobicContact CB-CD2 4.13Å; H415-L446 HydrophobicContact CB-CG 4.13Å; Y416-L446 HydrophobicContact CD2-CD1 3.92Å; L419-L446 HydrophobicContact CB-CD1 4.31Å; L419-L446 HydrophobicContact CD1-CD1 3.71Å; C442-L446 VanDerWaalsContact O-CB 3.32Å; C442-L446 WeakPolarHBondContact O-CB 3.43Å; C442-L446 WeakPolarHBondContact O-CD1 3.28Å; C442-L446 WeakPolarHBondContact O-CG 3.39Å; C442-L446 PolarHBondContact O-N 2.75Å; L443-L446 CarbonylContact O-C 3.5Å; L443-L446 PolarHBondContact O-N 3.2Å; F444-L446 PolarHBondContact O-N 2.76Å; L446-Y448 VanDerWaalsContact C-N 3.25Å; L446-Y448 HydrophobicContact CB-CD2 3.53Å; L446-Y448 HydrophobicContact CB-CE2 3.69Å; L446-Y448 HydrophobicContact CD1-CD2 4.38Å; L446-Y448 HydrophobicContact CD1-CE2 4.25Å; L446-Y448 PolarHBondContact O-N 3.25Å
447K90.6Very high93.9Very high131 Ų13134.4 Ų34.457%0.5717%0.165SC*.THydrogen-bonded Turntrans67.217179.2-48.9-58.4-177.3-176.40115.4L443 F444 E445 V449L443-K447 PolarHBondContact O-N 2.96Å; F444-K447 PolarHBondContact O-N 2.94Å; E445-K447 VanDerWaalsContact C-N 3.25Å; E445-K447 PolarHBondContact O-N 3.33Å; K447-V449 PolarHBondContact O-N 2.85Å
448Y90.1Very high93.6Very high5 Ų535.6 Ų35.62%0.0217%0.173CC..  trans-82.866167.7-58-59.8000109.8V257 F306 L443 L446 E451 A452V257-Y448 HydrophobicContact CB-CE1 4.11Å; V257-Y448 HydrophobicContact CG1-CE1 4.27Å; V257-Y448 HydrophobicContact CG1-CE2 4.35Å; V257-Y448 VanDerWaalsContact CG1-OH 3.28Å; V257-Y448 WeakPolarHBondContact CG1-OH 3.38Å; V257-Y448 HydrophobicContact CG2-CD1 4.5Å; V257-Y448 HydrophobicContact CG2-CE1 3.83Å; F306-Y448 HydrophobicContact CB-CD1 3.67Å; F306-Y448 HydrophobicContact CB-CE1 4.03Å; F306-Y448 HydrophobicContact CB-CG 4.06Å; F306-Y448 HydrophobicContact CD2-CD1 4.26Å; F306-Y448 AromaticContact CD2-CD2 3.9Å; F306-Y448 HydrophobicContact CD2-CD2 3.9Å; F306-Y448 HydrophobicContact CD2-CE1 4.42Å; F306-Y448 HydrophobicContact CD2-CE2 4.06Å; F306-Y448 AromaticContact CD2-CG 3.98Å; F306-Y448 HydrophobicContact CD2-CG 3.98Å; F306-Y448 HydrophobicContact CG-CD1 4.46Å; F306-Y448 HydrophobicContact CG-CG 4.45Å; F306-Y448 WeakPolarHBondContact O-CD1 3.27Å; F306-Y448 WeakPolarHBondContact O-CE1 3.48Å; L443-Y448 HydrophobicContact CD2-CD2 3.98Å; L443-Y448 HydrophobicContact CD2-CG 4.29Å; L443-Y448 WeakPolarHBondContact O-CB 3.28Å; L443-Y448 PolarHBondContact O-N 2.86Å; L446-Y448 VanDerWaalsContact C-N 3.25Å; L446-Y448 HydrophobicContact CB-CD2 3.53Å; L446-Y448 HydrophobicContact CB-CE2 3.69Å; L446-Y448 HydrophobicContact CD1-CD2 4.38Å; L446-Y448 HydrophobicContact CD1-CE2 4.25Å; L446-Y448 PolarHBondContact O-N 3.25Å; Y448-E451 VanDerWaalsContact C-OE2 3.29Å; Y448-E451 WeakPolarHBondContact CA-OE2 3.36Å; Y448-E451 PolarHBondContact O-N 3.31Å; Y448-A452 VanDerWaalsContact O-CB 3.23Å; Y448-A452 WeakPolarHBondContact O-CB 3.35Å; Y448-A452 PolarHBondContact O-N 2.69Å
449V92.1Very high93.4Very high21 Ų2133.8 Ų33.813%0.12717%0.167CC..Hα-helixtrans-68.3-38.3-167-171.60000112.4K447 L453 I479 A482 L483K447-V449 PolarHBondContact O-N 2.85Å; V449-L453 PolarHBondContact O-N 2.72Å; V449-L453 VanDerWaalsContact O-N 3.14Å; V449-I479 HydrophobicContact CG1-CG2 4Å; V449-A482 HydrophobicContact CG1-CB 3.91Å; V449-A482 HydrophobicContact CG2-CB 4.26Å; V449-L483 HydrophobicContact CB-CD2 4.11Å; V449-L483 HydrophobicContact CG1-CD1 4.48Å; V449-L483 HydrophobicContact CG1-CD2 3.57Å; V449-L483 HydrophobicContact CG1-CG 3.57Å
450A90.6Very high93.2Very high39 Ų3936.8 Ų36.832%0.32218%0.18SC..Hα-helixtrans-67.4-43.5179.100000110.8L453 E454A450-L453 WeakPolarHBondContact O-CB 3.24Å; A450-L453 PolarHBondContact O-N 3.42Å; A450-L453 VanDerWaalsContact O-N 3.17Å; A450-E454 PolarHBondContact O-N 2.89Å
451E89.4Confident93.1Very high23 Ų2339.9 Ų39.911%0.10721%0.212CC..Hα-helixtrans-72.7-31.6179.7-58.687.816900111.7F306 L443 Y448 L453 E454 C455F306-E451 HydrophobicContact CB-CB 4.42Å; F306-E451 HydrophobicContact CB-CG 3.65Å; F306-E451 WeakPolarHBondContact CB-OE1 2.84Å; F306-E451 HydrophobicContact CD1-CB 4.49Å; F306-E451 HydrophobicContact CD1-CG 4.06Å; F306-E451 HydrophobicContact CG-CB 4.43Å; F306-E451 HydrophobicContact CG-CG 4.03Å; L443-E451 HydrophobicContact CD1-CB 4.37Å; L443-E451 HydrophobicContact CD2-CB 4.43Å; Y448-E451 VanDerWaalsContact C-OE2 3.29Å; Y448-E451 WeakPolarHBondContact CA-OE2 3.36Å; Y448-E451 PolarHBondContact O-N 3.31Å; E451-L453 VanDerWaalsContact C-N 3.29Å; E451-L453 PolarHBondContact O-N 3.26Å; E451-E454 PolarHBondContact O-N 2.62Å; E451-C455 WeakPolarHBondContact O-CB 3.43Å; E451-C455 PolarHBondContact O-N 2.63Å
452A93.3Very high92.7Very high0 Ų039.4 Ų39.40%021%0.211CC..Hα-helixtrans-61.8-39.3169.800000111.4L443 F444 Y448 L456 I479L443-A452 HydrophobicContact CB-CB 3.82Å; F444-A452 HydrophobicContact CB-CB 3.87Å; Y448-A452 VanDerWaalsContact O-CB 3.23Å; Y448-A452 WeakPolarHBondContact O-CB 3.35Å; Y448-A452 PolarHBondContact O-N 2.69Å; A452-L456 VanDerWaalsContact O-CB 3.26Å; A452-L456 WeakPolarHBondContact O-CB 2.95Å; A452-L456 PolarHBondContact O-N 2.87Å; A452-I479 HydrophobicContact CB-CD1 3.86Å; A452-I479 HydrophobicContact CB-CG1 4.19Å
453L93.8Very high92.6Very high51 Ų5140.6 Ų40.627%0.26722%0.217SC..Hα-helixtrans-65.4-52.1175.3-176.160.9000110.9V449 A450 E451 C455 L456 D457 I479 L483V449-L453 PolarHBondContact O-N 2.72Å; V449-L453 VanDerWaalsContact O-N 3.14Å; A450-L453 WeakPolarHBondContact O-CB 3.24Å; A450-L453 PolarHBondContact O-N 3.42Å; A450-L453 VanDerWaalsContact O-N 3.17Å; E451-L453 VanDerWaalsContact C-N 3.29Å; E451-L453 PolarHBondContact O-N 3.26Å; L453-C455 VanDerWaalsContact C-N 3.31Å; L453-C455 PolarHBondContact O-N 3.46Å; L453-L456 PolarHBondContact O-N 3.02Å; L453-D457 PolarHBondContact O-N 3.1Å; L453-I479 HydrophobicContact CB-CG2 3.77Å; L453-I479 HydrophobicContact CD1-CG2 4.09Å; L453-I479 HydrophobicContact CG-CG2 4.44Å; L453-L483 HydrophobicContact CD2-CD1 3.75Å
454E92.2Very high92.6Very high122 Ų12244.8 Ų44.857%0.5724%0.244SC*.Hα-helixtrans-57.1-44.6178-70.1178.3-166.300111.7A450 E451 L456 D457 D458A450-E454 PolarHBondContact O-N 2.89Å; E451-E454 PolarHBondContact O-N 2.62Å; E454-L456 VanDerWaalsContact C-N 3.33Å; E454-L456 PolarHBondContact O-N 2.88Å; E454-D457 PolarHBondContact O-N 3.28Å; E454-D458 PolarHBondContact O-N 3.39Å
455C92.4Very high92.6Very high1 Ų151.5 Ų51.51%0.00728%0.276CS..Hα-helixtrans-65.3-35.2177-174.30000112.3F343 A440 L443 E451 L453 F459F343-C455 HydrophobicContact CE1-CB 4.4Å; A440-C455 HydrophobicContact CB-CB 4.14Å; L443-C455 HydrophobicContact CD1-CB 3.75Å; E451-C455 WeakPolarHBondContact O-CB 3.43Å; E451-C455 PolarHBondContact O-N 2.63Å; L453-C455 VanDerWaalsContact C-N 3.31Å; L453-C455 PolarHBondContact O-N 3.46Å; C455-F459 WeakPolarHBondContact O-CB 3.35Å; C455-F459 PolarHBondContact O-N 3.32Å
456L94.4Very high92.5Very high0 Ų051.2 Ų51.20%027%0.274CS..Hα-helixtrans-71.4-37.4176.9-174.963000111.6F437 A440 A452 L453 E454 F459 K460 L475 I479F437-L456 HydrophobicContact CE2-CD1 4.44Å; A440-L456 HydrophobicContact CB-CB 4.23Å; A440-L456 HydrophobicContact CB-CD1 4.46Å; A452-L456 VanDerWaalsContact O-CB 3.26Å; A452-L456 WeakPolarHBondContact O-CB 2.95Å; A452-L456 PolarHBondContact O-N 2.87Å; L453-L456 PolarHBondContact O-N 3.02Å; E454-L456 VanDerWaalsContact C-N 3.33Å; E454-L456 PolarHBondContact O-N 2.88Å; L456-F459 HydrophobicContact CD1-CD1 4.18Å; L456-F459 WeakPolarHBondContact O-CB 3.45Å; L456-F459 PolarHBondContact O-N 3.19Å; L456-K460 WeakPolarHBondContact O-CG 3.45Å; L456-K460 PolarHBondContact O-N 3.44Å; L456-L475 HydrophobicContact CD1-CD2 4.16Å; L456-L475 HydrophobicContact CD2-CG 4.28Å; L456-I479 HydrophobicContact CB-CD1 4.38Å; L456-I479 HydrophobicContact CD2-CD1 3.93Å
457D93.2Very high92.4Very high79 Ų7951.5 Ų51.542%0.42228%0.277SS..Hα-helixtrans-71.2-38.8177-70.2-22.8000111.7L453 E454 F459 K460 G461L453-D457 PolarHBondContact O-N 3.1Å; E454-D457 PolarHBondContact O-N 3.28Å; D457-F459 VanDerWaalsContact C-N 3.33Å; D457-F459 PolarHBondContact O-N 2.85Å; D457-K460 PolarHBondContact O-N 3.1Å; D457-K460 IonicContact OD1-NZ 3Å; D457-K460 PolarHBondContact OD1-NZ 3.36Å; D457-G461 PolarHBondContact O-N 3.3Å
458D90.8Very high92.4Very high73 Ų7352.8 Ų52.839%0.3929%0.285SS..Hα-helixtrans-59.1-44.1168.3-177.177000111.3L345 E454 K460 G461 K462L345-D458 WeakPolarHBondContact CD1-OD2 2.91Å; E454-D458 PolarHBondContact O-N 3.39Å; D458-K460 PolarHBondContact O-N 3.22Å; D458-G461 PolarHBondContact O-N 2.88Å; D458-K462 VanDerWaalsContact O-CB 3.31Å; D458-K462 WeakPolarHBondContact O-CB 3.39Å; D458-K462 PolarHBondContact O-N 3.43Å
459F93.4Very high92.7Very high4 Ų454.6 Ų54.62%0.01830%0.298CS..Hα-helixtrans-57.6-46.3175.2169.6-95.7000112.2L433 H436 F437 C455 L456 D457 K462 F463 Q466L433-F459 HydrophobicContact CG-CE2 4.31Å; H436-F459 HydrophobicContact CB-CD2 3.72Å; H436-F459 HydrophobicContact CB-CE2 4.45Å; F437-F459 HydrophobicContact CB-CD2 4.14Å; F437-F459 HydrophobicContact CB-CE2 3.72Å; F437-F459 HydrophobicContact CB-CZ 3.97Å; F437-F459 HydrophobicContact CD2-CD1 4.31Å; F437-F459 AromaticContact CD2-CE1 3.97Å; F437-F459 HydrophobicContact CD2-CE1 3.97Å; F437-F459 HydrophobicContact CD2-CZ 4.12Å; F437-F459 HydrophobicContact CG-CZ 4.4Å; C455-F459 WeakPolarHBondContact O-CB 3.35Å; C455-F459 PolarHBondContact O-N 3.32Å; L456-F459 HydrophobicContact CD1-CD1 4.18Å; L456-F459 WeakPolarHBondContact O-CB 3.45Å; L456-F459 PolarHBondContact O-N 3.19Å; D457-F459 VanDerWaalsContact C-N 3.33Å; D457-F459 PolarHBondContact O-N 2.85Å; F459-K462 PolarHBondContact O-N 3.48Å; F459-F463 AromaticContact CD2-CD2 3.55Å; F459-F463 HydrophobicContact CD2-CD2 3.55Å; F459-F463 HydrophobicContact CD2-CE2 4.16Å; F459-F463 HydrophobicContact CD2-CG 4.48Å; F459-F463 HydrophobicContact CE2-CB 4.27Å; F459-F463 AromaticContact CE2-CD2 3.65Å; F459-F463 HydrophobicContact CE2-CD2 3.65Å; F459-F463 HydrophobicContact CE2-CE2 4.36Å; F459-F463 HydrophobicContact CE2-CG 4.23Å; F459-F463 HydrophobicContact CG-CD2 4.42Å; F459-F463 HydrophobicContact CZ-CB 4.43Å; F459-F463 PolarHBondContact O-N 3.28Å; F459-Q466 HydrophobicContact CE1-CB 4.31Å; F459-Q466 HydrophobicContact CZ-CB 3.95Å
460K94.2Very high92.8Very high63 Ų6358.5 Ų58.527%0.27433%0.326SS..Hα-helixtrans-63.4-41.6177.4-70.4169.8-174.9160.50112L456 D457 D458 K462 F463 P464 A467L456-K460 WeakPolarHBondContact O-CG 3.45Å; L456-K460 PolarHBondContact O-N 3.44Å; D457-K460 PolarHBondContact O-N 3.1Å; D457-K460 IonicContact OD1-NZ 3Å; D457-K460 PolarHBondContact OD1-NZ 3.36Å; D458-K460 PolarHBondContact O-N 3.22Å; K460-K462 VanDerWaalsContact C-N 3.35Å; K460-F463 CarbonylContact O-C 3.44Å; K460-P464 WeakPolarHBondContact O-CA 3.25Å; K460-A467 HydrophobicContact CB-CB 3.8Å; K460-A467 HydrophobicContact CG-CB 3.77Å
461G92.2Very high93Very high65 Ų6559 Ų5967%0.6733%0.33SS*.Hα-helixtrans-64.7-38.8177.100000112.5D457 D458D457-G461 PolarHBondContact O-N 3.3Å; D458-G461 PolarHBondContact O-N 2.88Å
462K90.8Very high93.4Very high60 Ų6057.9 Ų57.926%0.26133%0.325SS..Hα-helixtrans-78.8-31.9-179.3-165.3168.3-163.4167.40113.6P430 D458 F459 K460P430-K462 VanDerWaalsContact O-CE 3.27Å; P430-K462 WeakPolarHBondContact O-CE 3.37Å; P430-K462 PolarHBondContact O-NZ 2.99Å; D458-K462 VanDerWaalsContact O-CB 3.31Å; D458-K462 WeakPolarHBondContact O-CB 3.39Å; D458-K462 PolarHBondContact O-N 3.43Å; F459-K462 PolarHBondContact O-N 3.48Å; K460-K462 VanDerWaalsContact C-N 3.35Å
463F95.1Very high93.5Very high26 Ų2660.9 Ų60.911%0.11434%0.341CS..  trans-129.568.4-177.2-55.3-74.5000110.8L433 H436 F459 K460 E465 Q466 A467L433-F463 HydrophobicContact CB-CD1 4.24Å; L433-F463 HydrophobicContact CB-CE1 3.95Å; L433-F463 HydrophobicContact CB-CZ 4.15Å; L433-F463 HydrophobicContact CD1-CB 4.26Å; L433-F463 HydrophobicContact CD1-CD1 3.68Å; L433-F463 HydrophobicContact CD1-CE1 4.21Å; L433-F463 HydrophobicContact CD1-CG 4Å; L433-F463 HydrophobicContact CG-CD1 4.13Å; L433-F463 HydrophobicContact CG-CE1 4.35Å; L433-F463 HydrophobicContact CG-CG 4.24Å; H436-F463 HydrophobicContact CB-CE2 4Å; H436-F463 AromaticContact CD2-CE2 3.57Å; H436-F463 AromaticContact CD2-CZ 3.85Å; H436-F463 AromaticContact CG-CE2 3.87Å; F459-F463 AromaticContact CD2-CD2 3.55Å; F459-F463 HydrophobicContact CD2-CD2 3.55Å; F459-F463 HydrophobicContact CD2-CE2 4.16Å; F459-F463 HydrophobicContact CD2-CG 4.48Å; F459-F463 HydrophobicContact CE2-CB 4.27Å; F459-F463 AromaticContact CE2-CD2 3.65Å; F459-F463 HydrophobicContact CE2-CD2 3.65Å; F459-F463 HydrophobicContact CE2-CE2 4.36Å; F459-F463 HydrophobicContact CE2-CG 4.23Å; F459-F463 HydrophobicContact CG-CD2 4.42Å; F459-F463 HydrophobicContact CZ-CB 4.43Å; F459-F463 PolarHBondContact O-N 3.28Å; K460-F463 CarbonylContact O-C 3.44Å; F463-E465 PolarHBondContact O-N 3.41Å; F463-Q466 HydrophobicContact CB-CB 4.49Å; F463-Q466 PolarHBondContact O-N 2.94Å; F463-A467 PolarHBondContact O-N 2.92Å
464P94.3Very high93.7Very high87 Ų8760 Ų6057%0.56534%0.341SS*.G310 helixtrans-60.6-30.7-173.723-34.1000113.3K460 Q466 A467K460-P464 WeakPolarHBondContact O-CA 3.25Å; P464-Q466 PolarHBondContact O-N 2.99Å; P464-A467 WeakPolarHBondContact O-CB 3.33Å; P464-A467 PolarHBondContact O-N 3.34Å
465E93.7Very high93.9Very high170 Ų17054.2 Ų54.279%0.79431%0.314SS*.G310 helixtrans-63.5-23.8176.1-64.7179.5179.500113.3F463F463-E465 PolarHBondContact O-N 3.41Å
466Q93.3Very high94.1Very high54 Ų5454.7 Ų54.725%0.25232%0.319SS..G310 helixtrans-106.2-3-179.4-68.574.233.400112.8L433 F459 F463 P464 H468 S469L433-Q466 HydrophobicContact CD1-CG 3.91Å; F459-Q466 HydrophobicContact CE1-CB 4.31Å; F459-Q466 HydrophobicContact CZ-CB 3.95Å; F463-Q466 HydrophobicContact CB-CB 4.49Å; F463-Q466 PolarHBondContact O-N 2.94Å; P464-Q466 PolarHBondContact O-N 2.99Å; Q466-H468 PolarHBondContact O-N 2.83Å; Q466-S469 WeakPolarHBondContact O-CB 3.21Å; Q466-S469 PolarHBondContact O-N 3.32Å; Q466-S469 VanDerWaalsContact O-N 3.07Å; Q466-S469 PolarHBondContact O-OG 3.35Å
467A89.8Confident94.2Very high8 Ų862.3 Ų62.37%0.06635%0.348CS..THydrogen-bonded Turntrans-60.2-31.5-177.500000113.3K460 F463 P464 C472K460-A467 HydrophobicContact CB-CB 3.8Å; K460-A467 HydrophobicContact CG-CB 3.77Å; F463-A467 PolarHBondContact O-N 2.92Å; P464-A467 WeakPolarHBondContact O-CB 3.33Å; P464-A467 PolarHBondContact O-N 3.34Å; A467-C472 PolarHBondContact O-SG 2.96Å
468H91.4Very high94.4Very high158 Ų15861.6 Ų61.673%0.73134%0.344SS*.THydrogen-bonded Turntrans-107.520178.8-55.6-58.2000112.9Q466Q466-H468 PolarHBondContact O-N 2.83Å
469S95.4Very high94.7Very high43 Ų4358.1 Ų58.130%0.30133%0.325SS..SBendtrans-66.3145.8170.763.20000109.7Q466 A471 C472 D473Q466-S469 WeakPolarHBondContact O-CB 3.21Å; Q466-S469 PolarHBondContact O-N 3.32Å; Q466-S469 VanDerWaalsContact O-N 3.07Å; Q466-S469 PolarHBondContact O-OG 3.35Å; S469-A471 PolarHBondContact O-N 3.31Å; S469-A471 VanDerWaalsContact O-N 3.08Å; S469-C472 WeakPolarHBondContact O-CA 3.27Å; S469-C472 WeakPolarHBondContact O-CB 3.41Å; S469-C472 PolarHBondContact O-N 3.13Å; S469-C472 VanDerWaalsContact OG-CB 3.27Å; S469-C472 WeakPolarHBondContact OG-CB 3.13Å; S469-C472 PolarHBondContact OG-N 2.93Å; S469-D473 PolarHBondContact O-N 2.9Å
470S95.9Very high94.8Very high102 Ų10260.7 Ų60.771%0.71334%0.342SS*.Hα-helixtrans-53.1-35.4179.9580000113.2A474S470-A474 VanDerWaalsContact O-CB 3.24Å; S470-A474 WeakPolarHBondContact O-CB 3.22Å; S470-A474 PolarHBondContact O-N 3.01Å
471A94.8Very high94.9Very high49 Ų4960.6 Ų60.641%0.40535%0.352SS..Hα-helixtrans-69.4-40.2176.100000112.8F437 S469 L475F437-A471 HydrophobicContact CE1-CB 4.27Å; F437-A471 HydrophobicContact CZ-CB 3.87Å; S469-A471 PolarHBondContact O-N 3.31Å; S469-A471 VanDerWaalsContact O-N 3.08Å; A471-L475 PolarHBondContact O-N 3.1Å
472C96.1Very high94.9Very high0 Ų059 Ų590%033%0.333CS..Hα-helixtrans-64.9-47.2175.9-172.40000111.1F437 A467 S469 A474 L475 G476F437-C472 HydrophobicContact CE2-CB 4.39Å; A467-C472 PolarHBondContact O-SG 2.96Å; S469-C472 WeakPolarHBondContact O-CA 3.27Å; S469-C472 WeakPolarHBondContact O-CB 3.41Å; S469-C472 PolarHBondContact O-N 3.13Å; S469-C472 VanDerWaalsContact OG-CB 3.27Å; S469-C472 WeakPolarHBondContact OG-CB 3.13Å; S469-C472 PolarHBondContact OG-N 2.93Å; C472-A474 VanDerWaalsContact C-N 3.34Å; C472-A474 PolarHBondContact O-N 2.83Å; C472-L475 PolarHBondContact O-N 2.91Å; C472-G476 PolarHBondContact O-N 2.52Å
473D96.4Very high94.9Very high63 Ų6358.5 Ų58.534%0.33733%0.333SS..Hα-helixtrans-64.4-39.2178.1-68.3-26000112S469 G476 R477S469-D473 PolarHBondContact O-N 2.9Å; D473-G476 PolarHBondContact O-N 2.68Å; D473-R477 WeakPolarHBondContact O-CG 2.99Å; D473-R477 PolarHBondContact O-N 2.83Å
474A97.4Very high94.7Very high32 Ų3263.8 Ų63.826%0.26436%0.356SS..Hα-helixtrans-62.3-48.7175.900000111.8S470 C472 G476 R477 D478S470-A474 VanDerWaalsContact O-CB 3.24Å; S470-A474 WeakPolarHBondContact O-CB 3.22Å; S470-A474 PolarHBondContact O-N 3.01Å; C472-A474 VanDerWaalsContact C-N 3.34Å; C472-A474 PolarHBondContact O-N 2.83Å; A474-G476 VanDerWaalsContact C-N 3.32Å; A474-G476 PolarHBondContact O-N 3.33Å; A474-R477 PolarHBondContact O-N 2.89Å; A474-D478 PolarHBondContact O-N 2.77Å
475L97.3Very high94.4Very high2 Ų263.8 Ų63.81%0.0136%0.358CS..Hα-helixtrans-62.4-40176.4179.757000111.8F437 A440 R441 F444 L456 A471 C472 R477 D478 I479F437-L475 HydrophobicContact CE2-CB 4.43Å; F437-L475 HydrophobicContact CE2-CD2 3.89Å; F437-L475 HydrophobicContact CZ-CB 4.43Å; F437-L475 HydrophobicContact CZ-CD2 4.12Å; A440-L475 HydrophobicContact CB-CD2 4.05Å; R441-L475 HydrophobicContact CB-CD2 4.17Å; F444-L475 HydrophobicContact CB-CD1 4.2Å; F444-L475 HydrophobicContact CD1-CD1 4.2Å; F444-L475 HydrophobicContact CG-CD1 4.2Å; L456-L475 HydrophobicContact CD1-CD2 4.16Å; L456-L475 HydrophobicContact CD2-CG 4.28Å; A471-L475 PolarHBondContact O-N 3.1Å; C472-L475 PolarHBondContact O-N 2.91Å; L475-R477 VanDerWaalsContact C-N 3.34Å; L475-R477 PolarHBondContact O-N 3.01Å; L475-D478 PolarHBondContact O-N 3.21Å; L475-I479 HydrophobicContact CD1-CD1 3.91Å; L475-I479 HydrophobicContact CD1-CG1 4.06Å; L475-I479 HydrophobicContact CG-CD1 3.8Å; L475-I479 HydrophobicContact CG-CG1 4.41Å; L475-I479 VanDerWaalsContact O-CG1 3.29Å; L475-I479 WeakPolarHBondContact O-CG1 3.42Å; L475-I479 PolarHBondContact O-N 3.2Å
476G96.9Very high93.4Very high11 Ų1159.9 Ų59.911%0.11334%0.339CS..Hα-helixtrans-60.4-41.6175.700000112.9C472 D473 A474 T480C472-G476 PolarHBondContact O-N 2.52Å; D473-G476 PolarHBondContact O-N 2.68Å; A474-G476 VanDerWaalsContact C-N 3.32Å; A474-G476 PolarHBondContact O-N 3.33Å; G476-T480 VanDerWaalsContact O-CB 3.28Å; G476-T480 WeakPolarHBondContact O-CB 3.37Å; G476-T480 PolarHBondContact O-N 3.42Å; G476-T480 PolarHBondContact O-OG1 3.32Å
477R96.9Very high91.8Very high159 Ų15962.2 Ų62.260%0.635%0.353SS*.Hα-helixtrans-64.3-46173.3-72.9-171.3-60.9-921.3112.1D473 A474 L475 I479 T480 A481D473-R477 WeakPolarHBondContact O-CG 2.99Å; D473-R477 PolarHBondContact O-N 2.83Å; A474-R477 PolarHBondContact O-N 2.89Å; L475-R477 VanDerWaalsContact C-N 3.34Å; L475-R477 PolarHBondContact O-N 3.01Å; R477-I479 PolarHBondContact O-N 3.38Å; R477-T480 PolarHBondContact O-N 3.27Å; R477-A481 WeakPolarHBondContact O-CB 3.48Å; R477-A481 PolarHBondContact O-N 3.32Å
478D97.5Very high90Very high64 Ų6467.3 Ų67.334%0.34238%0.379SS..Hα-helixtrans-57.9-47.1178.4-69.4-10.8000111.5R441 F444 A474 L475 A481 A482R441-D478 IonicContact CZ-OD2 3.92Å; R441-D478 IonicContact NH1-OD2 2.77Å; R441-D478 PolarHBondContact NH1-OD2 2.77Å; F444-D478 HydrophobicContact CE1-CB 4.01Å; F444-D478 HydrophobicContact CE2-CB 4.25Å; F444-D478 HydrophobicContact CZ-CB 3.7Å; A474-D478 PolarHBondContact O-N 2.77Å; L475-D478 PolarHBondContact O-N 3.21Å; D478-A481 PolarHBondContact O-N 2.82Å; D478-A482 PolarHBondContact O-N 3.25Å
479I95.8Very high87.8Confident0 Ų062.6 Ų62.60%037%0.373CS..Hα-helixtrans-62.7-48.1178.1-69.7166.4000110.6F444 V449 A452 L453 L456 L475 R477 A481 A482 L483F444-I479 HydrophobicContact CB-CG1 4.31Å; F444-I479 HydrophobicContact CD2-CB 4.42Å; F444-I479 HydrophobicContact CD2-CG1 3.59Å; F444-I479 HydrophobicContact CE2-CG1 4.19Å; F444-I479 HydrophobicContact CG-CG1 4.11Å; V449-I479 HydrophobicContact CG1-CG2 4Å; A452-I479 HydrophobicContact CB-CD1 3.86Å; A452-I479 HydrophobicContact CB-CG1 4.19Å; L453-I479 HydrophobicContact CB-CG2 3.77Å; L453-I479 HydrophobicContact CD1-CG2 4.09Å; L453-I479 HydrophobicContact CG-CG2 4.44Å; L456-I479 HydrophobicContact CB-CD1 4.38Å; L456-I479 HydrophobicContact CD2-CD1 3.93Å; L475-I479 HydrophobicContact CD1-CD1 3.91Å; L475-I479 HydrophobicContact CD1-CG1 4.06Å; L475-I479 HydrophobicContact CG-CD1 3.8Å; L475-I479 HydrophobicContact CG-CG1 4.41Å; L475-I479 VanDerWaalsContact O-CG1 3.29Å; L475-I479 WeakPolarHBondContact O-CG1 3.42Å; L475-I479 PolarHBondContact O-N 3.2Å; R477-I479 PolarHBondContact O-N 3.38Å; I479-A481 VanDerWaalsContact C-N 3.34Å; I479-A481 PolarHBondContact O-N 3.33Å; I479-A482 PolarHBondContact O-N 3.16Å; I479-L483 HydrophobicContact CG2-CD1 4.18Å; I479-L483 WeakPolarHBondContact O-CG 3.27Å; I479-L483 PolarHBondContact O-N 3.42Å
480T95.5Very high85Confident59 Ų5967.9 Ų67.936%0.36239%0.393SS..Hα-helixtrans-59.4-45.5-180-61.20000111G476 R477 A482 L483 F484G476-T480 VanDerWaalsContact O-CB 3.28Å; G476-T480 WeakPolarHBondContact O-CB 3.37Å; G476-T480 PolarHBondContact O-N 3.42Å; G476-T480 PolarHBondContact O-OG1 3.32Å; R477-T480 PolarHBondContact O-N 3.27Å; T480-A482 PolarHBondContact O-N 3.29Å; T480-L483 PolarHBondContact O-N 3.46Å; T480-F484 HydrophobicContact CG2-CD2 3.72Å; T480-F484 HydrophobicContact CG2-CE2 3.32Å; T480-F484 HydrophobicContact CG2-CZ 4.44Å; T480-F484 WeakPolarHBondContact O-CD2 2.98Å; T480-F484 PolarHBondContact O-N 3.46Å; T480-F484 VanDerWaalsContact O-N 3.1Å
481A95.7Very high81.9Confident60 Ų6071.4 Ų71.450%0.49640%0.398SS..Hα-helixtrans-61.4-41.6176.400000112.4R477 D478 I479 F484 S485R477-A481 WeakPolarHBondContact O-CB 3.48Å; R477-A481 PolarHBondContact O-N 3.32Å; D478-A481 PolarHBondContact O-N 2.82Å; I479-A481 VanDerWaalsContact C-N 3.34Å; I479-A481 PolarHBondContact O-N 3.33Å; A481-F484 PolarHBondContact O-N 2.86Å; A481-S485 PolarHBondContact O-N 3.45Å
482A93.4Very high78.7Confident32 Ų3277.8 Ų77.826%0.26442%0.416SS..Hα-helixtrans-66-35.5176.900000113F444 V449 D478 I479 T480 K486F444-A482 HydrophobicContact CE2-CB 3.82Å; V449-A482 HydrophobicContact CG1-CB 3.91Å; V449-A482 HydrophobicContact CG2-CB 4.26Å; D478-A482 PolarHBondContact O-N 3.25Å; I479-A482 PolarHBondContact O-N 3.16Å; T480-A482 PolarHBondContact O-N 3.29Å; A482-K486 PolarHBondContact O-N 3.15Å
483L91.3Very high75.4Confident50 Ų5087.3 Ų87.326%0.26246%0.458SS..Hα-helixtrans-65.5-44.3174-71.4171.8000111.8V449 L453 I479 T480 K486 N487V449-L483 HydrophobicContact CB-CD2 4.11Å; V449-L483 HydrophobicContact CG1-CD1 4.48Å; V449-L483 HydrophobicContact CG1-CD2 3.57Å; V449-L483 HydrophobicContact CG1-CG 3.57Å; L453-L483 HydrophobicContact CD2-CD1 3.75Å; I479-L483 HydrophobicContact CG2-CD1 4.18Å; I479-L483 WeakPolarHBondContact O-CG 3.27Å; I479-L483 PolarHBondContact O-N 3.42Å; T480-L483 PolarHBondContact O-N 3.46Å; L483-K486 PolarHBondContact O-N 2.86Å; L483-N487 PolarHBondContact O-N 2.87Å
484F90.5Very high72Confident136 Ų13687.1 Ų87.160%0.59647%0.471SS*.Hα-helixtrans-63.8-43.5177.6-75.9-62.9000112.4T480 A481 K486 N487 D488T480-F484 HydrophobicContact CG2-CD2 3.72Å; T480-F484 HydrophobicContact CG2-CE2 3.32Å; T480-F484 HydrophobicContact CG2-CZ 4.44Å; T480-F484 WeakPolarHBondContact O-CD2 2.98Å; T480-F484 PolarHBondContact O-N 3.46Å; T480-F484 VanDerWaalsContact O-N 3.1Å; A481-F484 PolarHBondContact O-N 2.86Å; F484-K486 PolarHBondContact O-N 3.35Å; F484-N487 PolarHBondContact O-N 2.91Å; F484-D488 PolarHBondContact O-N 3Å
485S86.8Confident69Low87 Ų8792.6 Ų92.661%0.60850%0.504SS*.Hα-helixtrans-61.6-26.2177.6-177.10000113.4A481A481-S485 PolarHBondContact O-N 3.45Å
486K73Confident65.4Low89 Ų8996.2 Ų96.239%0.38754%0.541SS..Hα-helixtrans-76.3-36.5178.6-165.7177.1177.8-1790112A482 L483 F484 G489A482-K486 PolarHBondContact O-N 3.15Å; L483-K486 PolarHBondContact O-N 2.86Å; F484-K486 PolarHBondContact O-N 3.35Å; K486-G489 PolarHBondContact O-N 3.14Å
487N59.6Low61.9Low103 Ų10399.5 Ų99.555%0.55158%0.576SS**Hα-helixtrans-69.7-39178.7-71.4-5.3000112.2L483 F484 G489 E490L483-N487 PolarHBondContact O-N 2.87Å; F484-N487 PolarHBondContact O-N 2.91Å; N487-G489 PolarHBondContact O-N 3.21Å; N487-E490 PolarHBondContact O-N 3.32Å
488D52.8Low58.4Low115 Ų11595.5 Ų95.562%0.61558%0.583SS**Hα-helixtrans-66.9-25.2177.9-73.5-13.6000113.1F484 E490F484-D488 PolarHBondContact O-N 3Å; D488-E490 VanDerWaalsContact C-N 3.34Å
489G45.3Very low55Low58 Ų5897.2 Ų97.260%0.59861%0.607SS**Hα-helixtrans-74.4-2017700000114.2K486 N487K486-G489 PolarHBondContact O-N 3.14Å; N487-G489 PolarHBondContact O-N 3.21Å
490E36.3Very low51.7Low154 Ų154102.7 Ų102.772%0.7264%0.642SS**Hα-helixtrans-87.2-24.9179.6-68.9-168.2165.100113N487 D488N487-E490 PolarHBondContact O-N 3.32Å; D488-E490 VanDerWaalsContact C-N 3.34Å
491E29.9Very low48.5Very low176 Ų176106.5 Ų106.582%0.82267%0.665SS**Hα-helixtrans-85.8-17.7178.8-71.3-161.3159.100114.5K493E491-K493 PolarHBondContact O-N 2.88Å
492K28.9Very low45.1Very low183 Ų183114.9 Ų114.980%0.79668%0.684SS**  trans-93.761-179-70.6-174.6-178.7172.50113.3
493K26.5Very low42.2Very low201 Ų201121 Ų12187%0.87471%0.711SS**  trans-122.662.1154-75.8-171.1177.9175.30110.3E491E491-K493 PolarHBondContact O-N 2.88Å
494G25Very low39.1Very low59 Ų59130 Ų13061%0.60874%0.742SS**  trans-74.9148.7161.700000110.8G496G494-G496 PolarHBondContact O-N 3.3Å
495P34.1Very low36.1Very low146 Ų146128.9 Ų128.995%0.94875%0.751SS**SBendtrans-80.589.2-17533.1-31.2000109.5
496G21.7Very low33.7Very low78 Ų78131 Ų13180%0.80476%0.761SS**  trans-178.1105.5175.400000113G494G494-G496 PolarHBondContact O-N 3.3Å
497G23.2Very low32Very low81 Ų81132.2 Ų132.284%0.83578%0.78SS**SBendtrans141.7103.2162.200000114.9
498G24Very low31.2Very low74 Ų74138.1 Ų138.176%0.76379%0.794SS**  trans71.891.9149.400000117.1P500G498-P500 VanDerWaalsContact O-CD 3.27Å; G498-P500 WeakPolarHBondContact O-CD 3.45Å
499A24.7Very low30.8Very low101 Ų101140.5 Ų140.584%0.83580%0.799SS**  trans-65.3119.1167.700000111.1
500P27.7Very low31.2Very low115 Ų115141.5 Ų141.575%0.74779%0.791SS**  trans-77.1148.3158.82.617.2000108.6G498 R502G498-P500 VanDerWaalsContact O-CD 3.27Å; G498-P500 WeakPolarHBondContact O-CD 3.45Å; P500-R502 PolarHBondContact O-N 2.89Å
501V27.1Very low32.8Very low138 Ų138139 Ų13984%0.83679%0.791SS**  trans-37.3115.9-179.4178.40000112.1L503V501-L503 VanDerWaalsContact C-N 3.34Å; V501-L503 PolarHBondContact O-N 3.24Å
502R25Very low35.3Very low237 Ų237133.3 Ų133.389%0.89477%0.765SS**  trans-65.688.3173.9-73.4179.5174.9177.4-1.6109.5P500 R504P500-R502 PolarHBondContact O-N 2.89Å; R502-R504 PolarHBondContact O-N 2.94Å
503L32Very low38Very low160 Ų160125.3 Ų125.384%0.83873%0.733SS**  trans-58.7120.3149.3-98.9114.6000106.3V501 S505V501-L503 VanDerWaalsContact C-N 3.34Å; V501-L503 PolarHBondContact O-N 3.24Å; L503-S505 PolarHBondContact O-N 3.29Å
504R26.1Very low40.8Very low238 Ų238123.4 Ų123.490%0.89873%0.727SS**  trans-50103.1-178.7-80.8178.4158179.7-5.4109.5R502 T506R502-R504 PolarHBondContact O-N 2.94Å; R504-T506 VanDerWaalsContact C-N 3.27Å; R504-T506 PolarHBondContact O-N 3.39Å
505S29Very low43.7Very low113 Ų113124.2 Ų124.279%0.7972%0.717SS**  trans-72.287.5169.464.70000107.9L503 S507L503-S505 PolarHBondContact O-N 3.29Å; S505-S507 PolarHBondContact O-N 2.96Å
506T35.5Very low46.3Very low133 Ų133117.4 Ų117.482%0.81667%0.672SS**  trans-59.4125.815940.60000107.7R504 R508R504-T506 VanDerWaalsContact C-N 3.27Å; R504-T506 PolarHBondContact O-N 3.39Å; T506-R508 PolarHBondContact O-N 3.46Å; T506-R508 VanDerWaalsContact O-N 3.17Å
507S37.7Very low49.5Very low113 Ų113116.7 Ų116.779%0.7965%0.649SS**SBendtrans-67.2101.1-16750.30000112.9S505S505-S507 PolarHBondContact O-N 2.96Å
508R43.1Very low52.6Low227 Ų227115.4 Ų115.486%0.85763%0.625SS**  trans178.8104.7140.5-97.8169.9-170.5-171.52.8104.2T506 D510T506-R508 PolarHBondContact O-N 3.46Å; T506-R508 VanDerWaalsContact O-N 3.17Å; R508-D510 PolarHBondContact O-N 3.03Å; R508-D510 VanDerWaalsContact O-N 3.09Å
509K44.4Very low55.8Low165 Ų165113.3 Ų113.372%0.71760%0.596SS**  trans-53.3121.6165.6-80.5179.2173.9-179.80105.6S511K509-S511 PolarHBondContact O-N 3.3Å
510D53.1Low59Low79 Ų79109.5 Ų109.542%0.42256%0.56SS.*  trans-55.884.9170.8-77-57.4000108.6Q183 R508 I512Q183-D510 PolarHBondContact N-OD1 2.85Å; Q183-D510 VanDerWaalsContact N-OD1 3.14Å; R508-D510 PolarHBondContact O-N 3.03Å; R508-D510 VanDerWaalsContact O-N 3.09Å; D510-I512 PolarHBondContact O-N 3.48Å
511S70.9Confident61.9Low102 Ų102105.7 Ų105.771%0.71353%0.532SS*.  trans-84.3114.5177580000106.7K509 S513K509-S511 PolarHBondContact O-N 3.3Å; S511-S513 PolarHBondContact O-N 2.9Å
512I81.8Confident64.9Low57 Ų57104.9 Ų104.929%0.29251%0.514SS..  trans-47.7135.9165.7-66.5161.8000108.7D510 E516 M517D510-I512 PolarHBondContact O-N 3.48Å; I512-E516 HydrophobicContact CG2-CB 3.65Å; I512-E516 HydrophobicContact CG2-CG 3.28Å; I512-M517 HydrophobicContact CG2-CG 3.96Å
513S84.6Confident68.3Low15 Ų1593.7 Ų93.711%0.10547%0.472CS..  trans-65.9154.6-179.972.20000112Y180 S511 D515 E516 M517Y180-S513 WeakPolarHBondContact CB-OG 3.35Å; Y180-S513 PolarHBondContact O-N 2.84Å; Y180-S513 VanDerWaalsContact O-N 3.16Å; S511-S513 PolarHBondContact O-N 2.9Å; S513-D515 VanDerWaalsContact C-N 3.26Å; S513-D515 PolarHBondContact O-N 3.11Å; S513-E516 PolarHBondContact O-N 2.96Å; S513-E516 VanDerWaalsContact OG-CB 3.28Å; S513-E516 WeakPolarHBondContact OG-CB 3.41Å; S513-E516 PolarHBondContact OG-N 3.31Å; S513-E516 VanDerWaalsContact OG-N 3.12Å; S513-M517 WeakPolarHBondContact O-CG 3.39Å; S513-M517 PolarHBondContact O-N 3.48Å
514E85.7Confident71.3Confident161 Ų16188.2 Ų88.275%0.75244%0.441SS*.Hα-helixtrans-58.7-39.6175.4-67179.9170.400111.7E516 M517 V518E514-E516 PolarHBondContact O-N 3.28Å; E514-M517 WeakPolarHBondContact O-CB 3.44Å; E514-M517 PolarHBondContact O-N 3.04Å; E514-V518 WeakPolarHBondContact O-CG2 3.45Å; E514-V518 PolarHBondContact O-N 3.21Å
515D85.5Confident74.7Confident76 Ų7677 Ų7741%0.40640%0.399SS..Hα-helixtrans-63-43.2177.5-57.2-49.1000111.9P241 S513 M517 V518 L519P241-D515 VanDerWaalsContact CB-OD2 3.26Å; P241-D515 WeakPolarHBondContact CB-OD2 3.39Å; S513-D515 VanDerWaalsContact C-N 3.26Å; S513-D515 PolarHBondContact O-N 3.11Å; D515-M517 VanDerWaalsContact C-N 3.31Å; D515-M517 PolarHBondContact O-N 3.33Å; D515-V518 PolarHBondContact O-N 3.22Å; D515-L519 WeakPolarHBondContact O-CG 3.47Å; D515-L519 PolarHBondContact O-N 3.39Å
516E89.6Confident78Confident2 Ų271.7 Ų71.71%0.00936%0.361CS..Hα-helixtrans-62.9-38174.3171.664.7-176.500111.6Y180 C181 R210 Y249 I512 S513 E514 L519 R520Y180-E516 HydrophobicContact CD2-CB 4.35Å; Y180-E516 WeakPolarHBondContact O-CB 3.48Å; C181-E516 VanDerWaalsContact SG-CD 3.54Å; C181-E516 PolarHBondContact SG-OE1 3.16Å; C181-E516 VanDerWaalsContact SG-OE1 3.32Å; R210-E516 IonicContact NH2-OE1 2.91Å; Y249-E516 WeakPolarHBondContact CE1-OE1 3.47Å; Y249-E516 WeakPolarHBondContact CE1-OE2 3.27Å; Y249-E516 PolarHBondContact OH-OE2 3.17Å; I512-E516 HydrophobicContact CG2-CB 3.65Å; I512-E516 HydrophobicContact CG2-CG 3.28Å; S513-E516 PolarHBondContact O-N 2.96Å; S513-E516 VanDerWaalsContact OG-CB 3.28Å; S513-E516 WeakPolarHBondContact OG-CB 3.41Å; S513-E516 PolarHBondContact OG-N 3.31Å; S513-E516 VanDerWaalsContact OG-N 3.12Å; E514-E516 PolarHBondContact O-N 3.28Å; E516-L519 PolarHBondContact O-N 2.92Å; E516-R520 VanDerWaalsContact O-CG 3.31Å; E516-R520 WeakPolarHBondContact O-CG 3.14Å; E516-R520 PolarHBondContact O-N 2.94Å; E516-R520 IonicContact OE1-CZ 3.95Å; E516-R520 IonicContact OE1-NE 3.18Å; E516-R520 PolarHBondContact OE1-NE 3.43Å; E516-R520 IonicContact OE1-NH2 2.92Å; E516-R520 PolarHBondContact OE1-NH2 3.25Å
517M88Confident80.9Confident63 Ų6367.4 Ų67.431%0.3133%0.332SS..Hα-helixtrans-60.5-48.2173.9-68.1-177.560.200110.8I512 S513 E514 D515 L519 R520 E521I512-M517 HydrophobicContact CG2-CG 3.96Å; S513-M517 WeakPolarHBondContact O-CG 3.39Å; S513-M517 PolarHBondContact O-N 3.48Å; E514-M517 WeakPolarHBondContact O-CB 3.44Å; E514-M517 PolarHBondContact O-N 3.04Å; D515-M517 VanDerWaalsContact C-N 3.31Å; D515-M517 PolarHBondContact O-N 3.33Å; M517-L519 VanDerWaalsContact C-N 3.31Å; M517-L519 PolarHBondContact O-N 3.11Å; M517-R520 PolarHBondContact O-N 3.22Å; M517-E521 WeakPolarHBondContact O-CB 3.44Å; M517-E521 VanDerWaalsContact O-CG 3.28Å; M517-E521 WeakPolarHBondContact O-CG 3.37Å; M517-E521 PolarHBondContact O-N 2.99Å
518V89.4Confident83.8Confident55 Ų5564 Ų6433%0.33330%0.303SS..Hα-helixtrans-60.5-38.4178.2174.50000112E514 D515 E521 R522E514-V518 WeakPolarHBondContact O-CG2 3.45Å; E514-V518 PolarHBondContact O-N 3.21Å; D515-V518 PolarHBondContact O-N 3.22Å; V518-E521 WeakPolarHBondContact O-CB 3.14Å; V518-E521 PolarHBondContact O-N 3.09Å; V518-R522 WeakPolarHBondContact O-CG 3.13Å; V518-R522 PolarHBondContact O-N 3.05Å; V518-R522 VanDerWaalsContact O-N 3.09Å
519L91.2Very high86.4Confident29 Ų2953.7 Ų53.715%0.15226%0.264CS..Hα-helixtrans-65.2-45.6176-73.7170.6000112.1L242 A247 Y249 D515 E516 M517 E521 R522 S523L242-L519 HydrophobicContact CD1-CD1 4.39Å; A247-L519 HydrophobicContact CB-CD1 4.27Å; A247-L519 HydrophobicContact CB-CD2 4.26Å; A247-L519 WeakPolarHBondContact O-CD2 3.35Å; Y249-L519 HydrophobicContact CD1-CB 4.35Å; Y249-L519 HydrophobicContact CD2-CB 4.04Å; Y249-L519 HydrophobicContact CE1-CB 4.29Å; Y249-L519 HydrophobicContact CE2-CB 4.02Å; Y249-L519 HydrophobicContact CE2-CD1 3.94Å; Y249-L519 HydrophobicContact CE2-CG 4.44Å; Y249-L519 HydrophobicContact CG-CB 4.23Å; D515-L519 WeakPolarHBondContact O-CG 3.47Å; D515-L519 PolarHBondContact O-N 3.39Å; E516-L519 PolarHBondContact O-N 2.92Å; M517-L519 VanDerWaalsContact C-N 3.31Å; M517-L519 PolarHBondContact O-N 3.11Å; L519-E521 PolarHBondContact O-N 3.4Å; L519-R522 PolarHBondContact O-N 3.4Å; L519-S523 PolarHBondContact O-N 3.09Å
520R91.8Very high89Confident22 Ų2245.8 Ų45.88%0.08323%0.23CC..Hα-helixtrans-61.1-35.6174.3-68-178.2-168.4-162.62.7111.4F208 Y249 L336 E516 M517 R522 S523F208-R520 HydrophobicContact CD1-CB 4.28Å; F208-R520 HydrophobicContact CD1-CG 4.03Å; F208-R520 HydrophobicContact CD2-CG 4.04Å; F208-R520 HydrophobicContact CE1-CB 3.71Å; F208-R520 HydrophobicContact CE1-CG 3.87Å; F208-R520 HydrophobicContact CE2-CB 4.33Å; F208-R520 HydrophobicContact CE2-CG 3.9Å; F208-R520 HydrophobicContact CG-CG 4.12Å; F208-R520 HydrophobicContact CZ-CB 3.75Å; F208-R520 HydrophobicContact CZ-CG 3.81Å; Y249-R520 HydrophobicContact CD1-CG 4Å; Y249-R520 HydrophobicContact CE1-CG 4.07Å; L336-R520 HydrophobicContact CD2-CB 3.56Å; L336-R520 HydrophobicContact CD2-CG 4.17Å; E516-R520 VanDerWaalsContact O-CG 3.31Å; E516-R520 WeakPolarHBondContact O-CG 3.14Å; E516-R520 PolarHBondContact O-N 2.94Å; E516-R520 IonicContact OE1-CZ 3.95Å; E516-R520 IonicContact OE1-NE 3.18Å; E516-R520 PolarHBondContact OE1-NE 3.43Å; E516-R520 IonicContact OE1-NH2 2.92Å; E516-R520 PolarHBondContact OE1-NH2 3.25Å; M517-R520 PolarHBondContact O-N 3.22Å; R520-R522 VanDerWaalsContact C-N 3.32Å; R520-R522 PolarHBondContact O-N 3.02Å; R520-S523 VanDerWaalsContact O-CB 3.26Å; R520-S523 WeakPolarHBondContact O-CB 3.5Å; R520-S523 PolarHBondContact O-N 3.03Å; R520-S523 PolarHBondContact O-OG 3.3Å
521E87.5Confident91.2Very high34 Ų3442.7 Ų42.716%0.15921%0.214CC..Hα-helixtrans-65.8-35178-77.3-172.5-158.300114.2H337 L338 H339 M517 V518 L519 S523H337-E521 WeakPolarHBondContact CB-OE1 3.49Å; H337-E521 WeakPolarHBondContact O-CG 3.24Å; L338-E521 HydrophobicContact CD1-CG 4.07Å; L338-E521 HydrophobicContact CG-CB 4.24Å; L338-E521 HydrophobicContact CG-CG 4.04Å; H339-E521 IonicContact CD2-OE2 2.76Å; M517-E521 WeakPolarHBondContact O-CB 3.44Å; M517-E521 VanDerWaalsContact O-CG 3.28Å; M517-E521 WeakPolarHBondContact O-CG 3.37Å; M517-E521 PolarHBondContact O-N 2.99Å; V518-E521 WeakPolarHBondContact O-CB 3.14Å; V518-E521 PolarHBondContact O-N 3.09Å; L519-E521 PolarHBondContact O-N 3.4Å; E521-S523 VanDerWaalsContact C-N 3.25Å; E521-S523 PolarHBondContact O-N 3.21Å
522R91.1Very high92.4Very high122 Ų12237.9 Ų37.946%0.4618%0.18SC..THydrogen-bonded Turntrans-90.815.5-179.4-64.5173-179.6-175.33.4112.8D244 Q248 V518 L519 R520D244-R522 IonicContact OD1-NH1 3.51Å; Q248-R522 PolarHBondContact NE2-O 3.01Å; Q248-R522 VanDerWaalsContact NE2-O 3.1Å; V518-R522 WeakPolarHBondContact O-CG 3.13Å; V518-R522 PolarHBondContact O-N 3.05Å; V518-R522 VanDerWaalsContact O-N 3.09Å; L519-R522 PolarHBondContact O-N 3.4Å; R520-R522 VanDerWaalsContact C-N 3.32Å; R520-R522 PolarHBondContact O-N 3.02Å
523S95.2Very high93.2Very high1 Ų135.1 Ų35.11%0.00717%0.166CC..  trans-65.1155.5-178.756.60000112.9Y249 V251 P303 L519 R520 E521Y249-S523 VanDerWaalsContact O-CA 3.25Å; Y249-S523 WeakPolarHBondContact O-CA 3.44Å; V251-S523 WeakPolarHBondContact CG1-OG 3.1Å; P303-S523 WeakPolarHBondContact CD-O 3.4Å; L519-S523 PolarHBondContact O-N 3.09Å; R520-S523 VanDerWaalsContact O-CB 3.26Å; R520-S523 WeakPolarHBondContact O-CB 3.5Å; R520-S523 PolarHBondContact O-N 3.03Å; R520-S523 PolarHBondContact O-OG 3.3Å; E521-S523 VanDerWaalsContact C-N 3.25Å; E521-S523 PolarHBondContact O-N 3.21Å
524Y96.7Very high93.8Very high45 Ų4534.4 Ų34.418%0.17616%0.161CC..BIsolated β-bridgetrans-107.9148.6174.7-65.3-68.2000111.8Q248 Y249 Y250 V251 K300 Q301 R302Q248-Y524 VanDerWaalsContact CD-CD2 3.5Å; Q248-Y524 HydrophobicContact CG-CD2 3.93Å; Q248-Y524 HydrophobicContact CG-CE2 3.94Å; Q248-Y524 VanDerWaalsContact OE1-CE2 3.27Å; Y249-Y524 PolarHBondContact O-N 3.37Å; Y250-Y524 CarbonylContact C-O 3.53Å; Y250-Y524 VanDerWaalsContact CA-O 3.3Å; Y250-Y524 WeakPolarHBondContact CA-O 3.4Å; Y250-Y524 HydrophobicContact CE1-CD2 4.12Å; Y250-Y524 HydrophobicContact CE1-CG 4.41Å; V251-Y524 PolarHBondContact N-O 2.89Å; K300-Y524 HydrophobicContact CB-CD1 3.62Å; K300-Y524 HydrophobicContact CB-CD2 4.03Å; K300-Y524 HydrophobicContact CB-CE1 3.79Å; K300-Y524 HydrophobicContact CB-CE2 4.17Å; K300-Y524 HydrophobicContact CB-CG 3.75Å; K300-Y524 HydrophobicContact CD-CD2 3.62Å; K300-Y524 HydrophobicContact CD-CE1 4.46Å; K300-Y524 HydrophobicContact CD-CE2 3.41Å; K300-Y524 VanDerWaalsContact CD-CE2 3.41Å; K300-Y524 HydrophobicContact CD-CG 4.24Å; K300-Y524 HydrophobicContact CG-CD2 4.26Å; K300-Y524 HydrophobicContact CG-CE2 4.36Å; K300-Y524 HydrophobicContact CG-CG 4.42Å; Q301-Y524 CarbonylContact O-C 3.53Å; Q301-Y524 WeakPolarHBondContact O-CA 3.16Å; R302-Y524 HydrophobicContact CG-CD1 4.2Å; R302-Y524 HydrophobicContact CG-CE1 4.11Å
525D96.9Very high94.2Very high4 Ų426.8 Ų26.82%0.02113%0.126CC..  trans-87163.8-177.1-15816000112.6V251 G253 F295 Q301 P303 Y416 R420V251-D525 WeakPolarHBondContact O-CA 3.39Å; G253-D525 PolarHBondContact N-OD1 3.04Å; F295-D525 WeakPolarHBondContact CD1-O 3.28Å; Q301-D525 PolarHBondContact O-N 3.15Å; P303-D525 HydrophobicContact CB-CB 3.85Å; P303-D525 HydrophobicContact CG-CB 3.88Å; Y416-D525 VanDerWaalsContact CE1-OD2 3.29Å; Y416-D525 WeakPolarHBondContact CE1-OD2 3.38Å; Y416-D525 PolarHBondContact OH-OD2 3.47Å; R420-D525 IonicContact NE-OD2 3.65Å
526Y97.9Very high94.5Very high0 Ų025.5 Ų25.50%012%0.12CC..  trans-71.9152.8176.468.1-86.3000111.9A252 Y293 F295 Y416 D417 R420 F528 R529A252-Y526 HydrophobicContact CB-CD1 3.62Å; A252-Y526 HydrophobicContact CB-CE1 3.81Å; Y293-Y526 AromaticContact CD1-CD1 3.64Å; Y293-Y526 HydrophobicContact CD1-CD1 3.64Å; Y293-Y526 HydrophobicContact CD1-CD2 4.02Å; Y293-Y526 HydrophobicContact CD1-CE1 4.03Å; Y293-Y526 HydrophobicContact CD1-CE2 4.37Å; Y293-Y526 AromaticContact CD1-CG 3.61Å; Y293-Y526 HydrophobicContact CD1-CG 3.61Å; Y293-Y526 AromaticContact CE1-CD1 3.88Å; Y293-Y526 HydrophobicContact CE1-CD1 3.88Å; Y293-Y526 AromaticContact CE1-CE1 3.8Å; Y293-Y526 HydrophobicContact CE1-CE1 3.8Å; Y293-Y526 HydrophobicContact CE1-CE2 4.48Å; Y293-Y526 HydrophobicContact CE1-CG 4.24Å; F295-Y526 VanDerWaalsContact CD1-CA 3.49Å; Y416-Y526 AromaticContact CD1-CE1 3.84Å; Y416-Y526 HydrophobicContact CD1-CE1 3.84Å; Y416-Y526 AromaticContact CE1-CE1 3.9Å; Y416-Y526 HydrophobicContact CE1-CE1 3.9Å; D417-Y526 PolarHBondContact OD1-OH 2.95Å; R420-Y526 PolarHBondContact NH2-O 3.44Å; Y526-F528 WeakPolarHBondContact CD2-O 3.3Å; Y526-R529 HydrophobicContact CD2-CB 4.02Å; Y526-R529 HydrophobicContact CE2-CB 3.57Å
527Q97.4Very high94.5Very high44 Ų4427.3 Ų27.321%0.20613%0.132CC..SBendtrans-84.4-54.4169.1-172.9-176.327.500110.2L294 D296 R420L294-Q527 WeakPolarHBondContact O-CB 3.42Å; L294-Q527 PolarHBondContact O-N 3.41Å; D296-Q527 HydrophobicContact CB-CB 4.26Å; R420-Q527 PolarHBondContact NH2-O 3.09Å
528F98.3Very high94.5Very high42 Ų4225.1 Ų25.118%0.18412%0.122CC..EExtended strand (participates in β ladder)trans-126.2152.2-177-61.4-65.9000112.2L294 Y526 Y530 T570L294-F528 HydrophobicContact CB-CB 4.26Å; L294-F528 HydrophobicContact CD2-CD2 3.96Å; L294-F528 PolarHBondContact N-O 2.72Å; L294-F528 PolarHBondContact O-N 3.39Å; Y526-F528 WeakPolarHBondContact CD2-O 3.3Å; F528-Y530 HydrophobicContact CB-CE2 4.23Å; F528-T570 HydrophobicContact CB-CG2 3.79Å; F528-T570 HydrophobicContact CD1-CG2 3.59Å; F528-T570 HydrophobicContact CE1-CG2 4.48Å; F528-T570 HydrophobicContact CG-CG2 3.99Å
529R98.3Very high94.4Very high9 Ų923.4 Ų23.43%0.03411%0.111CC..EExtended strand (participates in β ladder)trans-131.3131.4177.7-178.7175.970.8103.5-3.7108.9Q291 V292 Y293 D412 D414 D417 Y526 C531Q291-R529 HydrophobicContact CB-CG 3.82Å; Q291-R529 HydrophobicContact CG-CG 4.19Å; V292-R529 WeakPolarHBondContact O-CA 3.39Å; Y293-R529 HydrophobicContact CD1-CB 4.13Å; Y293-R529 HydrophobicContact CD1-CG 3.98Å; Y293-R529 HydrophobicContact CE1-CB 4.14Å; Y293-R529 VanDerWaalsContact CE1-CD 3.42Å; Y293-R529 HydrophobicContact CE1-CG 3.62Å; D412-R529 PolarHBondContact O-NH1 2.97Å; D414-R529 IonicContact OD1-CZ 3.81Å; D414-R529 IonicContact OD1-NH1 3.17Å; D414-R529 IonicContact OD1-NH2 3.59Å; D414-R529 PolarHBondContact OD1-NH2 3.35Å; D417-R529 IonicContact OD2-CZ 3.06Å; D417-R529 IonicContact OD2-NE 2.73Å; D417-R529 PolarHBondContact OD2-NE 3.3Å; D417-R529 IonicContact OD2-NH2 3.6Å; D417-R529 PolarHBondContact OD2-NH2 3.37Å; Y526-R529 HydrophobicContact CD2-CB 4.02Å; Y526-R529 HydrophobicContact CE2-CB 3.57Å; R529-C531 PolarHBondContact NH1-SG 3.45Å
530Y98.7Very high94.5Very high0 Ų022.2 Ų22.20%011%0.105CC..EExtended strand (participates in β ladder)trans-113.7123.9-179.4-48.9-83.6000109L284 V292 L294 F528 I553 W565 K567 T570L284-Y530 HydrophobicContact CD1-CD2 4.4Å; L284-Y530 HydrophobicContact CD1-CE2 4.04Å; V292-Y530 HydrophobicContact CB-CD2 4.22Å; V292-Y530 HydrophobicContact CG1-CD2 4.08Å; V292-Y530 PolarHBondContact N-O 3.24Å; V292-Y530 PolarHBondContact O-N 3.42Å; L294-Y530 HydrophobicContact CB-CE2 3.85Å; L294-Y530 HydrophobicContact CD2-CE2 4.5Å; L294-Y530 WeakPolarHBondContact CD2-OH 3.5Å; F528-Y530 HydrophobicContact CB-CE2 4.23Å; Y530-I553 HydrophobicContact CD1-CG1 4.43Å; Y530-I553 HydrophobicContact CD2-CG1 4.39Å; Y530-I553 HydrophobicContact CD2-CG2 4.26Å; Y530-I553 HydrophobicContact CE1-CB 4.41Å; Y530-I553 HydrophobicContact CE1-CG1 3.86Å; Y530-I553 HydrophobicContact CE2-CB 4.48Å; Y530-I553 HydrophobicContact CE2-CG1 3.81Å; Y530-I553 HydrophobicContact CE2-CG2 4.41Å; Y530-W565 HydrophobicContact CD1-CB 3.6Å; Y530-W565 HydrophobicContact CD1-CD2 4.32Å; Y530-W565 AromaticContact CD1-CG 3.81Å; Y530-W565 HydrophobicContact CD1-CG 3.81Å; Y530-W565 HydrophobicContact CE1-CB 4.21Å; Y530-W565 HydrophobicContact CG-CB 4.45Å; Y530-W565 HydrophobicContact CG-CD2 4.35Å; Y530-W565 HydrophobicContact CG-CG 4.29Å; Y530-K567 WeakPolarHBondContact OH-CG 3.21Å; Y530-K567 PolarHBondContact OH-O 3.32Å; Y530-T570 HydrophobicContact CD1-CG2 4.29Å; Y530-T570 HydrophobicContact CE1-CG2 3.92Å
531C98.1Very high94.7Very high14 Ų1421.2 Ų21.210%0.09510%0.101CC..  trans-117.4148.3-173.9-43.20000111.3Q291 W411 R529 W565Q291-C531 VanDerWaalsContact OE1-CA 3.28Å; W411-C531 HydrophobicContact CE3-CB 3.74Å; W411-C531 HydrophobicContact CZ3-CB 3.87Å; R529-C531 PolarHBondContact NH1-SG 3.45Å; C531-W565 WeakPolarHBondContact O-CZ2 3.42Å; C531-W565 PolarHBondContact O-NE1 3.02Å
532G97.5Very high95.2Very high0 Ų019.7 Ų19.70%09%0.094CC..SBendtrans137.6-32.6168.800000113F563 N631G532-F563 VanDerWaalsContact C-CE1 3.46Å; G532-F563 WeakPolarHBondContact O-CE1 3.24Å; G532-F563 WeakPolarHBondContact O-CZ 3.46Å; G532-N631 WeakPolarHBondContact O-CB 3.25Å; G532-N631 PolarHBondContact O-ND2 3.34Å
533H97.9Very high95.6Very high0 Ų013.9 Ų13.90%07%0.072CC..  trans-74.3170.117581.4-51.1000111.7N286 V292 G556 F563 W565N286-H533 PolarHBondContact OD1-NE2 3.34Å; V292-H533 VanDerWaalsContact CG2-CE1 3.41Å; V292-H533 WeakPolarHBondContact CG2-CE1 3.5Å; H533-G556 PolarHBondContact CD2-O 3.21Å; H533-F563 HydrophobicContact CB-CB 4.49Å; H533-F563 HydrophobicContact CB-CD2 3.79Å; H533-F563 HydrophobicContact CB-CE2 4.24Å; H533-F563 HydrophobicContact CB-CG 4.1Å; H533-W565 HydrophobicContact CB-CH2 4.09Å
534C96.1Very high95.8Very high0 Ų014.5 Ų14.50%08%0.075CC..  trans-125.2135171.2-160.10000111K541 S557 D558 N631 R634C534-K541 WeakPolarHBondContact O-CE 3.45Å; C534-S557 PolarHBondContact N-OG 3.49Å; C534-S557 WeakPolarHBondContact O-CA 3.38Å; C534-D558 HydrophobicContact CB-CB 4.21Å; C534-D558 PolarHBondContact O-N 3.36Å; C534-N631 HydrophobicContact CB-CB 3.83Å; C534-R634 VanDerWaalsContact SG-CD 3.56Å
535N95.1Very high95.8Very high1 Ų113.1 Ų13.11%0.0057%0.07CC..  trans-138.778.9178.8-176.213.3000109.5T272 N286 G288 G289 T538 K541T272-N535 PolarHBondContact OG1-ND2 2.94Å; N286-N535 VanDerWaalsContact CG-ND2 3.35Å; N286-N535 PolarHBondContact OD1-ND2 3.01Å; G288-N535 CarbonylContact C-O 3.54Å; G288-N535 WeakPolarHBondContact CA-ND2 3.41Å; G288-N535 WeakPolarHBondContact CA-O 3.45Å; G288-N535 PolarHBondContact N-ND2 3.17Å; G289-N535 PolarHBondContact N-O 2.87Å; N535-T538 PolarHBondContact OD1-O 3.31Å; N535-K541 HydrophobicContact CB-CD 3.85Å; N535-K541 WeakPolarHBondContact OD1-CB 3.24Å; N535-K541 WeakPolarHBondContact OD1-CE 3.49Å
536T91.4Very high95.9Very high48 Ų4813 Ų1329%0.2947%0.069SC..SBendtrans-127.6-17.7-177.348.90000113.7D558 M635T536-D558 PolarHBondContact N-OD2 3.33Å; T536-D558 PolarHBondContact OG1-OD2 3.2Å; T536-M635 HydrophobicContact CG2-CB 4.31Å; T536-M635 HydrophobicContact CG2-CG 4.2Å
537T89.3Confident95.7Very high40 Ų4013.3 Ų13.325%0.2457%0.073CC..SBendtrans-99.2-39.8-167.5-50.20000112.9D558 I582 N646T537-D558 VanDerWaalsContact CB-OD2 3.25Å; T537-D558 WeakPolarHBondContact CB-OD2 3.35Å; T537-D558 PolarHBondContact N-OD2 2.7Å; T537-D558 VanDerWaalsContact OG1-CG 3.26Å; T537-D558 PolarHBondContact OG1-OD2 2.89Å; T537-I582 HydrophobicContact CG2-CD1 3.72Å; T537-N646 WeakPolarHBondContact CG2-ND2 3.41Å; T537-N646 PolarHBondContact OG1-ND2 3.19Å
538T87.8Confident95.4Very high17 Ų1712.8 Ų12.810%0.1047%0.074CC..  trans-120.7142.1-172.651.50000109.9N535 K541 I582 N584N535-T538 PolarHBondContact OD1-O 3.31Å; T538-K541 PolarHBondContact OG1-NZ 2.88Å; T538-K541 VanDerWaalsContact OG1-NZ 3.08Å; T538-I582 HydrophobicContact CG2-CD1 4.05Å; T538-I582 HydrophobicContact CG2-CG2 4.28Å; T538-N584 PolarHBondContact OG1-OD1 3.23Å
539D88Confident95Very high19 Ų1914.6 Ų14.610%0.1029%0.086CC..THydrogen-bonded Turntrans-96.617.7-176.769.8-13.5000114.2K138 K188 T272K138-D539 WeakPolarHBondContact CE-OD2 3.39Å; K138-D539 VanDerWaalsContact NZ-CG 3.26Å; K138-D539 IonicContact NZ-OD1 3.89Å; K138-D539 PolarHBondContact NZ-OD1 3.28Å; K138-D539 IonicContact NZ-OD2 3.61Å; K138-D539 PolarHBondContact NZ-OD2 3.45Å; K188-D539 HydrophobicContact CD-CB 4.46Å; K188-D539 IonicContact NZ-OD2 3.5Å; K188-D539 PolarHBondContact NZ-OD2 2.89Å; T272-D539 WeakPolarHBondContact CB-O 3.49Å
540I92.8Very high94.7Very high5 Ų514.4 Ų14.43%0.0269%0.086CC..THydrogen-bonded Turntrans-122.63.2-176.254.1168.2000114.1N51 F94 K138 R139 E542 N584N51-I540 HydrophobicContact CB-CD1 3.69Å; F94-I540 HydrophobicContact CD1-CD1 4.38Å; F94-I540 HydrophobicContact CD1-CG2 4.34Å; K138-I540 HydrophobicContact CD-CG2 4.25Å; R139-I540 PolarHBondContact NH2-O 2.76Å; I540-E542 PolarHBondContact O-N 2.71Å; I540-N584 HydrophobicContact CD1-CB 4.25Å; I540-N584 HydrophobicContact CG1-CB 4.37Å
541K97.3Very high94.5Very high0 Ų016.2 Ų16.20%09%0.094CC..  trans-64.5123.9-170.1-164.9173.8-52.7-55.20113.6T272 Y273 N286 C534 N535 T538 G556 D558 I582 V583 N584T272-K541 PolarHBondContact OG1-O 3.34Å; T272-K541 VanDerWaalsContact OG1-O 3.04Å; Y273-K541 VanDerWaalsContact CB-O 3.28Å; Y273-K541 WeakPolarHBondContact CB-O 3.45Å; N286-K541 PolarHBondContact ND2-O 2.92Å; C534-K541 WeakPolarHBondContact O-CE 3.45Å; N535-K541 HydrophobicContact CB-CD 3.85Å; N535-K541 WeakPolarHBondContact OD1-CB 3.24Å; N535-K541 WeakPolarHBondContact OD1-CE 3.49Å; T538-K541 PolarHBondContact OG1-NZ 2.88Å; T538-K541 VanDerWaalsContact OG1-NZ 3.08Å; K541-G556 WeakPolarHBondContact CD-O 3.49Å; K541-D558 WeakPolarHBondContact CE-OD1 3.49Å; K541-D558 IonicContact NZ-OD1 2.86Å; K541-D558 PolarHBondContact NZ-OD1 2.98Å; K541-I582 VanDerWaalsContact NZ-CG2 3.27Å; K541-V583 PolarHBondContact NZ-O 3.04Å; K541-N584 PolarHBondContact NZ-OD1 3.18Å
542E98.3Very high94.5Very high3 Ų316.3 Ų16.31%0.0149%0.093CC..  trans-86.8149.7-174.1-59.1-171.916500113.1R139 Y273 I540 S555 G556 N584 C585 L586 Q587R139-E542 IonicContact NH1-OE1 2.76Å; R139-E542 PolarHBondContact NH1-OE1 3.44Å; Y273-E542 HydrophobicContact CD1-CB 4.18Å; Y273-E542 HydrophobicContact CD1-CG 4.49Å; Y273-E542 HydrophobicContact CD2-CB 4.33Å; Y273-E542 HydrophobicContact CD2-CG 3.79Å; Y273-E542 HydrophobicContact CE1-CB 4.23Å; Y273-E542 HydrophobicContact CE1-CG 4.44Å; Y273-E542 HydrophobicContact CE2-CB 4.38Å; Y273-E542 HydrophobicContact CE2-CG 3.73Å; Y273-E542 HydrophobicContact CG-CB 4.19Å; Y273-E542 HydrophobicContact CG-CG 4.14Å; I540-E542 PolarHBondContact O-N 2.71Å; E542-S555 WeakPolarHBondContact O-CA 3.44Å; E542-G556 PolarHBondContact O-N 3.05Å; E542-N584 WeakPolarHBondContact CB-O 3.45Å; E542-N584 WeakPolarHBondContact CG-O 3.43Å; E542-N584 PolarHBondContact N-O 3.03Å; E542-C585 WeakPolarHBondContact OE2-CA 3.33Å; E542-L586 HydrophobicContact CB-CD1 4.19Å; E542-L586 PolarHBondContact OE2-N 3.28Å; E542-Q587 PolarHBondContact OE2-NE2 3.39Å
543A98.7Very high94.6Very high0 Ų016.3 Ų16.30%09%0.093CC..EExtended strand (participates in β ladder)trans-136.1133161.500000108Y273 T275 L284 N286 V292 V554Y273-A543 WeakPolarHBondContact CD1-O 3.46Å; Y273-A543 WeakPolarHBondContact CE1-O 3.33Å; T275-A543 WeakPolarHBondContact CG2-O 3.44Å; L284-A543 HydrophobicContact CD2-CB 4.04Å; L284-A543 HydrophobicContact CG-CB 4.5Å; N286-A543 HydrophobicContact CB-CB 3.87Å; V292-A543 HydrophobicContact CG1-CB 3.88Å; V292-A543 HydrophobicContact CG2-CB 4.05Å; A543-V554 CarbonylContact C-O 3.51Å; A543-V554 WeakPolarHBondContact CA-O 3.38Å
544N98.6Very high94.6Very high13 Ų1316.3 Ų16.37%0.079%0.093CC..EExtended strand (participates in β ladder)trans-134.2157-174.2-89.8-58.1000112.6Y273 I553 V554 L586 P588Y273-N544 PolarHBondContact OH-ND2 2.96Å; N544-I553 WeakPolarHBondContact O-CA 3.29Å; N544-V554 HydrophobicContact CB-CG2 4.12Å; N544-V554 PolarHBondContact N-O 3.45Å; N544-V554 PolarHBondContact O-N 3.16Å; N544-L586 PolarHBondContact ND2-O 3.39Å; N544-P588 HydrophobicContact CB-CG 4.01Å
545F98.3Very high94.8Very high17 Ų1716.3 Ų16.38%0.0759%0.093CC..EExtended strand (participates in β ladder)trans-74.8134.1166.9-64-86000109.6T275 F276 E282 L284 L294 A550 I553 P588T275-F545 HydrophobicContact CG2-CD2 4.08Å; T275-F545 HydrophobicContact CG2-CE2 4.11Å; F276-F545 WeakPolarHBondContact O-CE2 3.23Å; E282-F545 HydrophobicContact CB-CZ 4.42Å; L284-F545 HydrophobicContact CB-CD2 4.38Å; L284-F545 HydrophobicContact CB-CE2 3.56Å; L284-F545 HydrophobicContact CB-CZ 3.7Å; L284-F545 HydrophobicContact CD2-CD2 4.39Å; L284-F545 HydrophobicContact CD2-CE2 4.33Å; L294-F545 HydrophobicContact CD1-CE1 3.89Å; L294-F545 HydrophobicContact CD1-CZ 3.56Å; L294-F545 HydrophobicContact CD2-CE1 4.42Å; F545-A550 HydrophobicContact CB-CB 4.36Å; F545-A550 HydrophobicContact CD1-CB 3.38Å; F545-A550 HydrophobicContact CE1-CB 3.91Å; F545-A550 HydrophobicContact CG-CB 4.15Å; F545-I553 HydrophobicContact CD1-CD1 3.4Å; F545-I553 VanDerWaalsContact CD1-CD1 3.4Å; F545-I553 HydrophobicContact CE1-CD1 3.71Å; F545-I553 HydrophobicContact CG-CD1 4.2Å; F545-P588 WeakPolarHBondContact O-CG 3.46Å
546F97.4Very high94.9Very high0 Ų016.3 Ų16.30%09%0.093CC..EExtended strand (participates in β ladder)trans-115.5109.5176.5-169.7-161.8000110.9V29 I34 L37 Y552 V554 P588 L595V29-F546 HydrophobicContact CG1-CD1 4.17Å; V29-F546 HydrophobicContact CG1-CE1 4.24Å; V29-F546 HydrophobicContact CG1-CG 4.32Å; V29-F546 HydrophobicContact CG1-CZ 4.47Å; V29-F546 HydrophobicContact CG2-CD2 3.66Å; V29-F546 HydrophobicContact CG2-CE2 3.68Å; V29-F546 HydrophobicContact CG2-CG 4.22Å; V29-F546 HydrophobicContact CG2-CZ 4.23Å; I34-F546 HydrophobicContact CD1-CD1 3.76Å; I34-F546 HydrophobicContact CD1-CE1 3.59Å; L37-F546 HydrophobicContact CD2-CE1 4.12Å; F546-Y552 PolarHBondContact N-O 3.12Å; F546-Y552 PolarHBondContact O-N 3.18Å; F546-V554 HydrophobicContact CB-CG1 3.85Å; F546-V554 HydrophobicContact CB-CG2 4.47Å; F546-V554 HydrophobicContact CD1-CG1 3.8Å; F546-V554 HydrophobicContact CG-CG1 4.2Å; F546-P588 HydrophobicContact CB-CG 4.33Å; F546-P588 HydrophobicContact CD2-CB 3.7Å; F546-P588 HydrophobicContact CD2-CG 4.19Å; F546-P588 HydrophobicContact CE2-CB 4.21Å; F546-P588 HydrophobicContact CG-CB 4.45Å; F546-P588 HydrophobicContact CG-CG 4.47Å; F546-L595 HydrophobicContact CZ-CB 4.35Å
547G94.6Very high95.2Very high7 Ų714 Ų147%0.0728%0.078CC..SBendtrans107.5144.9-173.800000113V29 N549 A550 Q551V29-G547 VanDerWaalsContact CG2-CA 3.49Å; G547-N549 PolarHBondContact O-N 3.47Å; G547-N549 VanDerWaalsContact O-N 3.15Å; G547-A550 PolarHBondContact O-N 3.35Å; G547-Q551 PolarHBondContact O-OE1 3.33Å
548S90.6Very high95.5Very high33 Ų3312.1 Ų12.123%0.2317%0.067CC..THydrogen-bonded Turntrans-71.3-9.3-171.6-53.20000114.9H28H28-S548 PolarHBondContact ND1-N 3.42Å; H28-S548 VanDerWaalsContact ND1-N 3.11Å; H28-S548 PolarHBondContact ND1-OG 3.22Å
549N89.7Confident95.8Very high81 Ų8113.1 Ų13.143%0.4337%0.072SC..THydrogen-bonded Turntrans-105.515.6169.2-82.8-14.9000111.7R25 R26 G547 Q551R25-N549 VanDerWaalsContact CB-OD1 3.31Å; R25-N549 WeakPolarHBondContact CB-OD1 3.48Å; R25-N549 PolarHBondContact O-ND2 3.29Å; R26-N549 PolarHBondContact N-ND2 2.93Å; G547-N549 PolarHBondContact O-N 3.47Å; G547-N549 VanDerWaalsContact O-N 3.15Å; N549-Q551 VanDerWaalsContact C-N 3.3Å; N549-Q551 HydrophobicContact CB-CG 4.33Å; N549-Q551 PolarHBondContact O-N 3.22Å
550A93.2Very high96.2Very high4 Ų412.2 Ų12.23%0.0337%0.067CC..  trans57.440.3-176.500000112.8F545 G547 Y552 K567F545-A550 HydrophobicContact CB-CB 4.36Å; F545-A550 HydrophobicContact CD1-CB 3.38Å; F545-A550 HydrophobicContact CE1-CB 3.91Å; F545-A550 HydrophobicContact CG-CB 4.15Å; G547-A550 PolarHBondContact O-N 3.35Å; A550-Y552 VanDerWaalsContact C-N 3.32Å; A550-Y552 PolarHBondContact O-N 3.01Å; A550-K567 HydrophobicContact CB-CD 4.07Å; A550-K567 WeakPolarHBondContact O-CB 3.49Å; A550-K567 WeakPolarHBondContact O-CD 3.12Å
551Q94.5Very high96.4Very high38 Ų3812.3 Ų12.318%0.1787%0.068CC..  trans-63.6-38.1-176.2-64.196.9-56.200113.1R25 R26 V29 G547 N549 K567R25-Q551 PolarHBondContact O-NE2 3.22Å; R26-Q551 PolarHBondContact O-NE2 3.43Å; V29-Q551 PolarHBondContact O-NE2 3.01Å; G547-Q551 PolarHBondContact O-OE1 3.33Å; N549-Q551 VanDerWaalsContact C-N 3.3Å; N549-Q551 HydrophobicContact CB-CG 4.33Å; N549-Q551 PolarHBondContact O-N 3.22Å; Q551-K567 WeakPolarHBondContact O-CB 3.49Å; Q551-K567 PolarHBondContact O-N 2.89Å; Q551-K567 VanDerWaalsContact O-N 3.08Å
552Y98.2Very high96.5Very high17 Ų1712.3 Ų12.37%0.0677%0.068CC..EExtended strand (participates in β ladder)trans-127.8159.1-176.6-61.6-87.8000110.8V29 D31 I34 F546 A550 I564 W565 E566 V573V29-Y552 HydrophobicContact CB-CD2 4.21Å; V29-Y552 HydrophobicContact CB-CE2 4.47Å; V29-Y552 HydrophobicContact CG1-CD2 3.5Å; V29-Y552 HydrophobicContact CG1-CE2 3.79Å; V29-Y552 HydrophobicContact CG1-CG 4.49Å; D31-Y552 VanDerWaalsContact CA-OH 3.26Å; D31-Y552 WeakPolarHBondContact CA-OH 3.32Å; D31-Y552 WeakPolarHBondContact CB-OH 3.46Å; D31-Y552 PolarHBondContact N-OH 2.68Å; I34-Y552 HydrophobicContact CD1-CD2 4.36Å; I34-Y552 HydrophobicContact CD1-CG 4.42Å; I34-Y552 HydrophobicContact CG1-CD1 4.17Å; I34-Y552 HydrophobicContact CG1-CD2 4.05Å; I34-Y552 HydrophobicContact CG1-CE1 3.98Å; I34-Y552 HydrophobicContact CG1-CE2 3.86Å; I34-Y552 HydrophobicContact CG1-CG 4.21Å; F546-Y552 PolarHBondContact N-O 3.12Å; F546-Y552 PolarHBondContact O-N 3.18Å; A550-Y552 VanDerWaalsContact C-N 3.32Å; A550-Y552 PolarHBondContact O-N 3.01Å; Y552-I564 HydrophobicContact CD1-CG2 4.21Å; Y552-I564 HydrophobicContact CG-CG2 4.48Å; Y552-W565 CarbonylContact C-O 3.6Å; Y552-W565 WeakPolarHBondContact CA-O 3.43Å; Y552-W565 WeakPolarHBondContact CB-O 3.41Å; Y552-W565 WeakPolarHBondContact CD1-O 3.46Å; Y552-E566 HydrophobicContact CD1-CB 4.43Å; Y552-E566 HydrophobicContact CE1-CB 4.28Å; Y552-V573 HydrophobicContact CD1-CG2 4.07Å; Y552-V573 HydrophobicContact CE1-CG2 4.07Å
553I98.7Very high96.5Very high0 Ų012.1 Ų12.10%07%0.067CC..EExtended strand (participates in β ladder)trans-115.7138.7169.9-56.7-57.7000107.7L284 Y530 N544 F545 I564 W565 K567L284-I553 HydrophobicContact CD1-CD1 4.08Å; L284-I553 HydrophobicContact CD1-CG1 4.49Å; L284-I553 HydrophobicContact CD1-CG2 4.02Å; L284-I553 HydrophobicContact CD2-CD1 4.16Å; L284-I553 HydrophobicContact CD2-CG2 3.9Å; Y530-I553 HydrophobicContact CD1-CG1 4.43Å; Y530-I553 HydrophobicContact CD2-CG1 4.39Å; Y530-I553 HydrophobicContact CD2-CG2 4.26Å; Y530-I553 HydrophobicContact CE1-CB 4.41Å; Y530-I553 HydrophobicContact CE1-CG1 3.86Å; Y530-I553 HydrophobicContact CE2-CB 4.48Å; Y530-I553 HydrophobicContact CE2-CG1 3.81Å; Y530-I553 HydrophobicContact CE2-CG2 4.41Å; N544-I553 WeakPolarHBondContact O-CA 3.29Å; F545-I553 HydrophobicContact CD1-CD1 3.4Å; F545-I553 VanDerWaalsContact CD1-CD1 3.4Å; F545-I553 HydrophobicContact CE1-CD1 3.71Å; F545-I553 HydrophobicContact CG-CD1 4.2Å; I553-I564 CarbonylContact O-C 3.59Å; I553-I564 WeakPolarHBondContact O-CA 3.45Å; I553-W565 HydrophobicContact CB-CE3 4.36Å; I553-W565 HydrophobicContact CG2-CE3 4.23Å; I553-W565 PolarHBondContact N-O 3.24Å; I553-W565 PolarHBondContact O-N 3.49Å; I553-K567 HydrophobicContact CG1-CB 4.31Å
554V98.8Very high96.5Very high0 Ų012.1 Ų12.10%07%0.067CC..EExtended strand (participates in β ladder)trans-122.7144.5173.3-61.70000110.3A543 N544 F546 F563 I564 L586 P588A543-V554 CarbonylContact C-O 3.51Å; A543-V554 WeakPolarHBondContact CA-O 3.38Å; N544-V554 HydrophobicContact CB-CG2 4.12Å; N544-V554 PolarHBondContact N-O 3.45Å; N544-V554 PolarHBondContact O-N 3.16Å; F546-V554 HydrophobicContact CB-CG1 3.85Å; F546-V554 HydrophobicContact CB-CG2 4.47Å; F546-V554 HydrophobicContact CD1-CG1 3.8Å; F546-V554 HydrophobicContact CG-CG1 4.2Å; V554-F563 CarbonylContact C-O 3.59Å; V554-F563 VanDerWaalsContact CA-O 3.26Å; V554-F563 WeakPolarHBondContact CA-O 3.42Å; V554-I564 HydrophobicContact CG1-CB 4.4Å; V554-I564 HydrophobicContact CG1-CD1 4.47Å; V554-I564 HydrophobicContact CG1-CG1 4Å; V554-I564 HydrophobicContact CG1-CG2 4.07Å; V554-L586 HydrophobicContact CB-CD2 4.21Å; V554-L586 HydrophobicContact CG2-CB 4.23Å; V554-L586 HydrophobicContact CG2-CD2 4.32Å; V554-P588 HydrophobicContact CG2-CG 4.14Å
555S98.7Very high96.5Very high0 Ų011.6 Ų11.60%06%0.064CC..EExtended strand (participates in β ladder)trans-147.8151.4168.7780000111.7E542 F562 F563 W565 L586E542-S555 WeakPolarHBondContact O-CA 3.44Å; S555-F562 CarbonylContact O-C 3.52Å; S555-F562 WeakPolarHBondContact O-CA 3.4Å; S555-F562 VanDerWaalsContact O-CB 3.29Å; S555-F562 WeakPolarHBondContact O-CB 3.24Å; S555-F563 PolarHBondContact N-O 3.1Å; S555-F563 PolarHBondContact O-N 3.32Å; S555-W565 WeakPolarHBondContact OG-CH2 3.32Å; S555-W565 VanDerWaalsContact OG-CZ3 3.28Å; S555-W565 WeakPolarHBondContact OG-CZ3 3.44Å; S555-L586 VanDerWaalsContact C-CD2 3.45Å
556G98.3Very high96.5Very high0 Ų013.4 Ų13.40%07%0.073CC..EExtended strand (participates in β ladder)trans-77.4173.8171.500000110.4H533 K541 E542 L586H533-G556 PolarHBondContact CD2-O 3.21Å; K541-G556 WeakPolarHBondContact CD-O 3.49Å; E542-G556 PolarHBondContact O-N 3.05Å; G556-L586 VanDerWaalsContact CA-CD1 3.48Å
557S97.9Very high96.5Very high0 Ų014.1 Ų14.10%08%0.076CC..  trans-150.6157.6-178.4-1770000111.3C534 D559 S561 V583 N631C534-S557 PolarHBondContact N-OG 3.49Å; C534-S557 WeakPolarHBondContact O-CA 3.38Å; S557-D559 WeakPolarHBondContact CB-OD1 3.47Å; S557-D559 PolarHBondContact O-N 3.28Å; S557-D559 PolarHBondContact OG-OD1 3.37Å; S557-S561 VanDerWaalsContact CB-O 3.24Å; S557-S561 WeakPolarHBondContact CB-O 3.26Å; S557-S561 PolarHBondContact N-O 2.71Å; S557-V583 PolarHBondContact N-O 2.91Å; S557-V583 PolarHBondContact O-N 2.83Å; S557-N631 PolarHBondContact OG-ND2 2.93Å
558D95Very high96.6Very high1 Ų118 Ų181%0.0059%0.092CC..THydrogen-bonded Turntrans-78.39.2175-67.9-15000113.6C534 T536 T537 K541 S581C534-D558 HydrophobicContact CB-CB 4.21Å; C534-D558 PolarHBondContact O-N 3.36Å; T536-D558 PolarHBondContact N-OD2 3.33Å; T536-D558 PolarHBondContact OG1-OD2 3.2Å; T537-D558 VanDerWaalsContact CB-OD2 3.25Å; T537-D558 WeakPolarHBondContact CB-OD2 3.35Å; T537-D558 PolarHBondContact N-OD2 2.7Å; T537-D558 VanDerWaalsContact OG1-CG 3.26Å; T537-D558 PolarHBondContact OG1-OD2 2.89Å; K541-D558 WeakPolarHBondContact CE-OD1 3.49Å; K541-D558 IonicContact NZ-OD1 2.86Å; K541-D558 PolarHBondContact NZ-OD1 2.98Å; D558-S581 CarbonylContact C-O 3.57Å
559D94.7Very high96.9Very high37 Ų3716.5 Ų16.520%0.1988%0.082CC..THydrogen-bonded Turntrans-108.117.9173.667.5-11.6000112.7S557 S561 S581 N631S557-D559 WeakPolarHBondContact CB-OD1 3.47Å; S557-D559 PolarHBondContact O-N 3.28Å; S557-D559 PolarHBondContact OG-OD1 3.37Å; D559-S561 PolarHBondContact O-N 2.69Å; D559-S561 VanDerWaalsContact O-N 3.15Å; D559-S561 WeakPolarHBondContact OD1-CB 3.43Å; D559-S561 PolarHBondContact OD1-N 3.22Å; D559-S561 VanDerWaalsContact OD1-N 3.1Å; D559-S581 CarbonylContact C-O 3.23Å; D559-S581 PolarHBondContact N-O 2.94Å; D559-N631 PolarHBondContact OD2-ND2 3.28Å; D559-N631 PolarHBondContact OD2-OD1 2.97Å
560G96Very high97.4Very high0 Ų013.9 Ų13.90%07%0.069CC..SBendtrans74.6-1.8-179.400000113.5G578 D579 S581 V583G560-G578 CarbonylContact O-C 3.59Å; G560-G578 WeakPolarHBondContact O-CA 3.47Å; G560-G578 PolarHBondContact O-N 3.01Å; G560-D579 CarbonylContact C-O 3.5Å; G560-D579 VanDerWaalsContact CA-O 3.26Å; G560-D579 WeakPolarHBondContact CA-O 3.44Å; G560-D579 PolarHBondContact O-N 2.82Å; G560-D579 VanDerWaalsContact O-O 3.08Å; G560-S581 VanDerWaalsContact CA-C 3.47Å; G560-S581 WeakPolarHBondContact CA-O 3.3Å; G560-S581 VanDerWaalsContact N-C 3.33Å; G560-S581 PolarHBondContact N-O 3.47Å; G560-V583 WeakPolarHBondContact O-CG2 3.32Å
561S98Very high97.6Very high7 Ų714 Ų145%0.0497%0.068CC..EExtended strand (participates in β ladder)trans-101.8166-178.9-59.50000112.4S557 D559 L576S557-S561 VanDerWaalsContact CB-O 3.24Å; S557-S561 WeakPolarHBondContact CB-O 3.26Å; S557-S561 PolarHBondContact N-O 2.71Å; D559-S561 PolarHBondContact O-N 2.69Å; D559-S561 VanDerWaalsContact O-N 3.15Å; D559-S561 WeakPolarHBondContact OD1-CB 3.43Å; D559-S561 PolarHBondContact OD1-N 3.22Å; D559-S561 VanDerWaalsContact OD1-N 3.1Å; S561-L576 CarbonylContact C-O 3.51Å; S561-L576 VanDerWaalsContact CA-O 3.24Å; S561-L576 WeakPolarHBondContact CA-O 3.42Å; S561-L576 WeakPolarHBondContact CB-O 3.47Å
562F98.6Very high97.8Very high0 Ų013 Ų130%07%0.065CC..EExtended strand (participates in β ladder)trans-123.7147.2162.363.8-84.2000111.3L37 S555 I564 V575 L576 L586 L595 T597 W607L37-F562 HydrophobicContact CD2-CE2 4.33Å; S555-F562 CarbonylContact O-C 3.52Å; S555-F562 WeakPolarHBondContact O-CA 3.4Å; S555-F562 VanDerWaalsContact O-CB 3.29Å; S555-F562 WeakPolarHBondContact O-CB 3.24Å; F562-I564 HydrophobicContact CD2-CD1 4.43Å; F562-I564 HydrophobicContact CD2-CG1 4.19Å; F562-I564 HydrophobicContact CE2-CD1 4.03Å; F562-I564 HydrophobicContact CE2-CG1 4.3Å; F562-V575 WeakPolarHBondContact O-CA 3.24Å; F562-L576 HydrophobicContact CD1-CB 4.09Å; F562-L576 VanDerWaalsContact CD1-O 3.29Å; F562-L576 WeakPolarHBondContact CD1-O 3.35Å; F562-L576 HydrophobicContact CD2-CB 4.5Å; F562-L576 HydrophobicContact CE1-CB 3.49Å; F562-L576 VanDerWaalsContact CE1-CB 3.49Å; F562-L576 HydrophobicContact CE1-CD1 4.32Å; F562-L576 HydrophobicContact CE2-CB 3.98Å; F562-L576 HydrophobicContact CE2-CD1 3.77Å; F562-L576 HydrophobicContact CE2-CG 4.33Å; F562-L576 HydrophobicContact CZ-CB 3.45Å; F562-L576 VanDerWaalsContact CZ-CB 3.45Å; F562-L576 HydrophobicContact CZ-CD1 3.44Å; F562-L576 VanDerWaalsContact CZ-CD1 3.44Å; F562-L576 HydrophobicContact CZ-CG 4.02Å; F562-L576 PolarHBondContact N-O 3.25Å; F562-L576 PolarHBondContact O-N 2.9Å; F562-L586 HydrophobicContact CB-CD2 3.47Å; F562-L586 VanDerWaalsContact CB-CD2 3.47Å; F562-L586 HydrophobicContact CD2-CD2 4.18Å; F562-L586 HydrophobicContact CG-CD2 4.02Å; F562-L595 HydrophobicContact CD2-CD2 4.19Å; F562-L595 HydrophobicContact CE2-CD2 3.67Å; F562-L595 HydrophobicContact CZ-CD2 4.11Å; F562-T597 HydrophobicContact CD1-CG2 4.43Å; F562-T597 HydrophobicContact CE1-CG2 4.41Å; F562-W607 AromaticContact CE1-CD2 3.95Å; F562-W607 HydrophobicContact CE1-CD2 3.95Å; F562-W607 AromaticContact CE1-CE2 3.65Å; F562-W607 HydrophobicContact CE1-CE3 4.12Å; F562-W607 AromaticContact CE1-CH2 3.82Å; F562-W607 HydrophobicContact CE1-CH2 3.82Å; F562-W607 AromaticContact CE1-CZ2 3.62Å; F562-W607 HydrophobicContact CE1-CZ2 3.62Å; F562-W607 HydrophobicContact CE1-CZ3 4.05Å; F562-W607 AromaticContact CZ-CD2 3.74Å; F562-W607 HydrophobicContact CZ-CD2 3.74Å; F562-W607 AromaticContact CZ-CE2 3.92Å; F562-W607 AromaticContact CZ-CE3 3.86Å; F562-W607 HydrophobicContact CZ-CE3 3.86Å; F562-W607 HydrophobicContact CZ-CG 4.23Å; F562-W607 HydrophobicContact CZ-CH2 4.38Å; F562-W607 HydrophobicContact CZ-CZ2 4.28Å; F562-W607 HydrophobicContact CZ-CZ3 4.17Å
563F98.7Very high97.7Very high0 Ų014.3 Ų14.30%07%0.074CC..EExtended strand (participates in β ladder)trans-112.4139.5-170.5-71.4-110.8000109.1G532 H533 V554 S555 W565 L572 V575 N631G532-F563 VanDerWaalsContact C-CE1 3.46Å; G532-F563 WeakPolarHBondContact O-CE1 3.24Å; G532-F563 WeakPolarHBondContact O-CZ 3.46Å; H533-F563 HydrophobicContact CB-CB 4.49Å; H533-F563 HydrophobicContact CB-CD2 3.79Å; H533-F563 HydrophobicContact CB-CE2 4.24Å; H533-F563 HydrophobicContact CB-CG 4.1Å; V554-F563 CarbonylContact C-O 3.59Å; V554-F563 VanDerWaalsContact CA-O 3.26Å; V554-F563 WeakPolarHBondContact CA-O 3.42Å; S555-F563 PolarHBondContact N-O 3.1Å; S555-F563 PolarHBondContact O-N 3.32Å; F563-W565 HydrophobicContact CB-CE3 4.27Å; F563-W565 HydrophobicContact CB-CH2 3.22Å; F563-W565 HydrophobicContact CB-CZ2 3.49Å; F563-W565 VanDerWaalsContact CB-CZ2 3.49Å; F563-W565 HydrophobicContact CB-CZ3 3.63Å; F563-W565 HydrophobicContact CD1-CZ2 4.19Å; F563-W565 HydrophobicContact CG-CH2 4.11Å; F563-W565 HydrophobicContact CG-CZ2 4.12Å; F563-W565 WeakPolarHBondContact O-CZ3 3.2Å; F563-L572 HydrophobicContact CB-CD1 3.96Å; F563-L572 HydrophobicContact CD1-CD1 3.66Å; F563-L572 HydrophobicContact CD1-CD2 3.93Å; F563-L572 HydrophobicContact CD1-CG 4.47Å; F563-L572 HydrophobicContact CE1-CD2 4.21Å; F563-L572 HydrophobicContact CG-CD1 4.28Å; F563-V575 HydrophobicContact CD1-CG1 4.36Å; F563-V575 HydrophobicContact CD1-CG2 3.48Å; F563-V575 VanDerWaalsContact CD1-CG2 3.48Å; F563-V575 HydrophobicContact CD2-CG1 4.3Å; F563-V575 HydrophobicContact CE1-CG1 4.09Å; F563-V575 HydrophobicContact CE1-CG2 3.58Å; F563-V575 HydrophobicContact CE2-CG1 4.02Å; F563-V575 HydrophobicContact CG-CG1 4.43Å; F563-V575 HydrophobicContact CG-CG2 4.07Å; F563-V575 HydrophobicContact CZ-CG1 3.9Å; F563-V575 HydrophobicContact CZ-CG2 4.25Å; F563-N631 WeakPolarHBondContact CZ-ND2 3.48Å
564I98.7Very high97.6Very high0 Ų015.4 Ų15.40%08%0.078CC..EExtended strand (participates in β ladder)trans-124.4122.2-179.6-46.4-173.8000109I34 L37 Y552 I553 V554 F562 L572 V573 R574I34-I564 HydrophobicContact CD1-CD1 4.5Å; I34-I564 HydrophobicContact CD1-CG2 4.26Å; I34-I564 HydrophobicContact CG2-CD1 4.39Å; I34-I564 HydrophobicContact CG2-CG2 4.17Å; L37-I564 HydrophobicContact CD2-CD1 3.66Å; Y552-I564 HydrophobicContact CD1-CG2 4.21Å; Y552-I564 HydrophobicContact CG-CG2 4.48Å; I553-I564 CarbonylContact O-C 3.59Å; I553-I564 WeakPolarHBondContact O-CA 3.45Å; V554-I564 HydrophobicContact CG1-CB 4.4Å; V554-I564 HydrophobicContact CG1-CD1 4.47Å; V554-I564 HydrophobicContact CG1-CG1 4Å; V554-I564 HydrophobicContact CG1-CG2 4.07Å; F562-I564 HydrophobicContact CD2-CD1 4.43Å; F562-I564 HydrophobicContact CD2-CG1 4.19Å; F562-I564 HydrophobicContact CE2-CD1 4.03Å; F562-I564 HydrophobicContact CE2-CG1 4.3Å; I564-L572 WeakPolarHBondContact O-CD1 3.26Å; I564-V573 HydrophobicContact CB-CG2 4.22Å; I564-V573 HydrophobicContact CG2-CG2 3.93Å; I564-V573 WeakPolarHBondContact O-CG2 3.45Å; I564-V573 PolarHBondContact O-N 2.85Å; I564-R574 HydrophobicContact CB-CB 4.29Å; I564-R574 HydrophobicContact CD1-CB 4.27Å; I564-R574 HydrophobicContact CG1-CB 4.42Å; I564-R574 PolarHBondContact N-O 3.39Å; I564-R574 PolarHBondContact O-N 3.25Å
565W98.7Very high97.6Very high1 Ų115.4 Ų15.40%0.0048%0.078CC..EExtended strand (participates in β ladder)trans-114.1145.8176.3-57.3-98.8000111.8Y530 C531 H533 Y552 I553 S555 F563 K567 N571 L572Y530-W565 HydrophobicContact CD1-CB 3.6Å; Y530-W565 HydrophobicContact CD1-CD2 4.32Å; Y530-W565 AromaticContact CD1-CG 3.81Å; Y530-W565 HydrophobicContact CD1-CG 3.81Å; Y530-W565 HydrophobicContact CE1-CB 4.21Å; Y530-W565 HydrophobicContact CG-CB 4.45Å; Y530-W565 HydrophobicContact CG-CD2 4.35Å; Y530-W565 HydrophobicContact CG-CG 4.29Å; C531-W565 WeakPolarHBondContact O-CZ2 3.42Å; C531-W565 PolarHBondContact O-NE1 3.02Å; H533-W565 HydrophobicContact CB-CH2 4.09Å; Y552-W565 CarbonylContact C-O 3.6Å; Y552-W565 WeakPolarHBondContact CA-O 3.43Å; Y552-W565 WeakPolarHBondContact CB-O 3.41Å; Y552-W565 WeakPolarHBondContact CD1-O 3.46Å; I553-W565 HydrophobicContact CB-CE3 4.36Å; I553-W565 HydrophobicContact CG2-CE3 4.23Å; I553-W565 PolarHBondContact N-O 3.24Å; I553-W565 PolarHBondContact O-N 3.49Å; S555-W565 WeakPolarHBondContact OG-CH2 3.32Å; S555-W565 VanDerWaalsContact OG-CZ3 3.28Å; S555-W565 WeakPolarHBondContact OG-CZ3 3.44Å; F563-W565 HydrophobicContact CB-CE3 4.27Å; F563-W565 HydrophobicContact CB-CH2 3.22Å; F563-W565 HydrophobicContact CB-CZ2 3.49Å; F563-W565 VanDerWaalsContact CB-CZ2 3.49Å; F563-W565 HydrophobicContact CB-CZ3 3.63Å; F563-W565 HydrophobicContact CD1-CZ2 4.19Å; F563-W565 HydrophobicContact CG-CH2 4.11Å; F563-W565 HydrophobicContact CG-CZ2 4.12Å; F563-W565 WeakPolarHBondContact O-CZ3 3.2Å; W565-K567 PolarHBondContact O-N 3.13Å; W565-N571 CarbonylContact C-O 3.59Å; W565-N571 WeakPolarHBondContact CA-O 3.34Å; W565-N571 WeakPolarHBondContact CB-O 3.38Å; W565-L572 VanDerWaalsContact CD1-CA 3.48Å; W565-L572 HydrophobicContact CD2-CD1 4.25Å; W565-L572 HydrophobicContact CG-CD1 4.36Å; W565-L572 HydrophobicContact CZ2-CD1 4.36Å
566E97.8Very high97.6Very high56 Ų5615.5 Ų15.526%0.2628%0.079SC..EExtended strand (participates in β ladder)trans-71.4121.4161.1179.8-177-150.800108.4Y552 E568 T569 T570 N571 V573Y552-E566 HydrophobicContact CD1-CB 4.43Å; Y552-E566 HydrophobicContact CE1-CB 4.28Å; E566-E568 PolarHBondContact O-N 3.43Å; E566-T569 WeakPolarHBondContact OE2-CB 3.46Å; E566-T569 WeakPolarHBondContact OE2-CG2 3.28Å; E566-T569 PolarHBondContact OE2-OG1 3.13Å; E566-T570 VanDerWaalsContact O-CA 3.29Å; E566-T570 WeakPolarHBondContact O-CA 3.37Å; E566-T570 PolarHBondContact O-N 3.49Å; E566-N571 PolarHBondContact N-O 3.47Å; E566-V573 HydrophobicContact CB-CG1 4.08Å
567K97.6Very high97.5Very high14 Ų1419.5 Ų19.56%0.06110%0.098CC..THydrogen-bonded Turntrans-52.9-55.4-173176.8-174.1169.5-118.90112.4E282 L294 Y530 A550 Q551 I553 W565 T569 T570E282-K567 VanDerWaalsContact CD-CE 3.47Å; E282-K567 VanDerWaalsContact CD-NZ 3.34Å; E282-K567 WeakPolarHBondContact OE1-CE 3.47Å; E282-K567 IonicContact OE1-NZ 3.59Å; E282-K567 PolarHBondContact OE1-NZ 2.98Å; E282-K567 WeakPolarHBondContact OE2-CE 3.29Å; E282-K567 IonicContact OE2-NZ 2.75Å; E282-K567 PolarHBondContact OE2-NZ 3.23Å; E282-K567 VanDerWaalsContact OE2-NZ 3.17Å; L294-K567 HydrophobicContact CD2-CD 4.19Å; L294-K567 VanDerWaalsContact CD2-CE 3.45Å; L294-K567 HydrophobicContact CD2-CG 4.05Å; Y530-K567 WeakPolarHBondContact OH-CG 3.21Å; Y530-K567 PolarHBondContact OH-O 3.32Å; A550-K567 HydrophobicContact CB-CD 4.07Å; A550-K567 WeakPolarHBondContact O-CB 3.49Å; A550-K567 WeakPolarHBondContact O-CD 3.12Å; Q551-K567 WeakPolarHBondContact O-CB 3.49Å; Q551-K567 PolarHBondContact O-N 2.89Å; Q551-K567 VanDerWaalsContact O-N 3.08Å; I553-K567 HydrophobicContact CG1-CB 4.31Å; W565-K567 PolarHBondContact O-N 3.13Å; K567-T569 PolarHBondContact O-N 2.94Å; K567-T570 PolarHBondContact O-N 2.92Å
568E96.2Very high97.5Very high88 Ų8819.5 Ų19.541%0.41110%0.098SC..THydrogen-bonded Turntrans-72.6-27.7-167.9-63.4-63.6146.500114.4Q390 E566Q390-E568 HydrophobicContact CG-CB 4.42Å; E566-E568 PolarHBondContact O-N 3.43Å
569T97.9Very high97.5Very high3 Ų319.5 Ų19.52%0.01810%0.098CC..THydrogen-bonded Turntrans-100.1-10.6177.565.70000112.8S386 K387 Q390 E566 K567 N571S386-T569 VanDerWaalsContact CB-O 3.24Å; S386-T569 WeakPolarHBondContact CB-O 3.31Å; K387-T569 HydrophobicContact CG-CG2 4.25Å; Q390-T569 HydrophobicContact CB-CG2 4.29Å; Q390-T569 HydrophobicContact CG-CG2 4.36Å; E566-T569 WeakPolarHBondContact OE2-CB 3.46Å; E566-T569 WeakPolarHBondContact OE2-CG2 3.28Å; E566-T569 PolarHBondContact OE2-OG1 3.13Å; K567-T569 PolarHBondContact O-N 2.94Å; T569-N571 WeakPolarHBondContact CB-ND2 3.26Å; T569-N571 PolarHBondContact O-N 3.09Å; T569-N571 VanDerWaalsContact O-N 3.11Å; T569-N571 PolarHBondContact O-OD1 3.17Å; T569-N571 WeakPolarHBondContact OG1-CB 3.42Å; T569-N571 VanDerWaalsContact OG1-CG 3.26Å; T569-N571 PolarHBondContact OG1-N 3.45Å; T569-N571 PolarHBondContact OG1-ND2 3.47Å; T569-N571 VanDerWaalsContact OG1-ND2 3.07Å
570T98.3Very high97.3Very high25 Ų2525.6 Ų25.615%0.15313%0.125CC..THydrogen-bonded Turntrans55.217.4-170.979.80000114F528 Y530 E566 K567F528-T570 HydrophobicContact CB-CG2 3.79Å; F528-T570 HydrophobicContact CD1-CG2 3.59Å; F528-T570 HydrophobicContact CE1-CG2 4.48Å; F528-T570 HydrophobicContact CG-CG2 3.99Å; Y530-T570 HydrophobicContact CD1-CG2 4.29Å; Y530-T570 HydrophobicContact CE1-CG2 3.92Å; E566-T570 VanDerWaalsContact O-CA 3.29Å; E566-T570 WeakPolarHBondContact O-CA 3.37Å; E566-T570 PolarHBondContact O-N 3.49Å; K567-T570 PolarHBondContact O-N 2.92Å
571N98.2Very high97.1Very high6 Ų627.3 Ų27.33%0.03214%0.137CC..EExtended strand (participates in β ladder)trans-76.4131.6-178.5-70.9-23.1000110.1Q383 K387 W565 E566 T569 V573Q383-N571 WeakPolarHBondContact CA-OD1 3Å; Q383-N571 WeakPolarHBondContact CB-OD1 3.24Å; Q383-N571 HydrophobicContact CG-CB 4.37Å; Q383-N571 WeakPolarHBondContact CG-OD1 3.32Å; Q383-N571 PolarHBondContact O-ND2 3.41Å; K387-N571 VanDerWaalsContact CE-ND2 3.34Å; K387-N571 WeakPolarHBondContact CE-ND2 3.45Å; K387-N571 WeakPolarHBondContact CG-ND2 3.43Å; W565-N571 CarbonylContact C-O 3.59Å; W565-N571 WeakPolarHBondContact CA-O 3.34Å; W565-N571 WeakPolarHBondContact CB-O 3.38Å; E566-N571 PolarHBondContact N-O 3.47Å; T569-N571 WeakPolarHBondContact CB-ND2 3.26Å; T569-N571 PolarHBondContact O-N 3.09Å; T569-N571 VanDerWaalsContact O-N 3.11Å; T569-N571 PolarHBondContact O-OD1 3.17Å; T569-N571 WeakPolarHBondContact OG1-CB 3.42Å; T569-N571 VanDerWaalsContact OG1-CG 3.26Å; T569-N571 PolarHBondContact OG1-N 3.45Å; T569-N571 PolarHBondContact OG1-ND2 3.47Å; T569-N571 VanDerWaalsContact OG1-ND2 3.07Å; N571-V573 PolarHBondContact O-N 2.92Å
572L98.1Very high96.9Very high19 Ų1927.3 Ų27.310%0.09914%0.136CC..EExtended strand (participates in β ladder)trans-66.9117.9167.5-175.862.8000108.2F563 I564 W565 V575 M624 S628F563-L572 HydrophobicContact CB-CD1 3.96Å; F563-L572 HydrophobicContact CD1-CD1 3.66Å; F563-L572 HydrophobicContact CD1-CD2 3.93Å; F563-L572 HydrophobicContact CD1-CG 4.47Å; F563-L572 HydrophobicContact CE1-CD2 4.21Å; F563-L572 HydrophobicContact CG-CD1 4.28Å; I564-L572 WeakPolarHBondContact O-CD1 3.26Å; W565-L572 VanDerWaalsContact CD1-CA 3.48Å; W565-L572 HydrophobicContact CD2-CD1 4.25Å; W565-L572 HydrophobicContact CG-CD1 4.36Å; W565-L572 HydrophobicContact CZ2-CD1 4.36Å; L572-V575 HydrophobicContact CD1-CG2 3.86Å; L572-V575 HydrophobicContact CD2-CG2 3.75Å; L572-V575 HydrophobicContact CG-CG2 4.06Å; L572-M624 HydrophobicContact CD2-CB 3.98Å; L572-M624 HydrophobicContact CG-SD 4.28Å; L572-S628 WeakPolarHBondContact CD2-OG 3.41Å
573V96.9Very high96.9Very high44 Ų4427.3 Ų27.327%0.26714%0.136SC..EExtended strand (participates in β ladder)trans-107.6-22.8-176.8-66.20000112.6I34 Y552 I564 E566 N571I34-V573 HydrophobicContact CG2-CG2 3.92Å; Y552-V573 HydrophobicContact CD1-CG2 4.07Å; Y552-V573 HydrophobicContact CE1-CG2 4.07Å; I564-V573 HydrophobicContact CB-CG2 4.22Å; I564-V573 HydrophobicContact CG2-CG2 3.93Å; I564-V573 WeakPolarHBondContact O-CG2 3.45Å; I564-V573 PolarHBondContact O-N 2.85Å; E566-V573 HydrophobicContact CB-CG1 4.08Å; N571-V573 PolarHBondContact O-N 2.92Å
574R96.8Very high96.8Very high23 Ų2327.4 Ų27.49%0.08714%0.137CC..EExtended strand (participates in β ladder)trans-159.8150.1174.9-147.1156.3-171.1-147.1-6.6112.8I34 R35 L37 I564 L576 V620I34-R574 HydrophobicContact CG2-CB 4.2Å; I34-R574 WeakPolarHBondContact O-CD 3.28Å; I34-R574 PolarHBondContact O-NH1 2.99Å; R35-R574 VanDerWaalsContact C-CZ 3.44Å; R35-R574 PolarHBondContact O-NH1 2.91Å; R35-R574 PolarHBondContact O-NH2 3.07Å; R35-R574 VanDerWaalsContact O-NH2 3.13Å; L37-R574 PolarHBondContact O-NH1 2.88Å; I564-R574 HydrophobicContact CB-CB 4.29Å; I564-R574 HydrophobicContact CD1-CB 4.27Å; I564-R574 HydrophobicContact CG1-CB 4.42Å; I564-R574 PolarHBondContact N-O 3.39Å; I564-R574 PolarHBondContact O-N 3.25Å; R574-L576 HydrophobicContact CG-CD2 4.4Å; R574-L576 HydrophobicContact CG-CG 4.35Å; R574-V620 VanDerWaalsContact NH2-CG2 3.29Å
575V98.3Very high96.8Very high0 Ų027.4 Ų27.40%014%0.137CC..EExtended strand (participates in β ladder)trans-131.8130.5168.6-1770000107.9F562 F563 L572 V621 M624F562-V575 WeakPolarHBondContact O-CA 3.24Å; F563-V575 HydrophobicContact CD1-CG1 4.36Å; F563-V575 HydrophobicContact CD1-CG2 3.48Å; F563-V575 VanDerWaalsContact CD1-CG2 3.48Å; F563-V575 HydrophobicContact CD2-CG1 4.3Å; F563-V575 HydrophobicContact CE1-CG1 4.09Å; F563-V575 HydrophobicContact CE1-CG2 3.58Å; F563-V575 HydrophobicContact CE2-CG1 4.02Å; F563-V575 HydrophobicContact CG-CG1 4.43Å; F563-V575 HydrophobicContact CG-CG2 4.07Å; F563-V575 HydrophobicContact CZ-CG1 3.9Å; F563-V575 HydrophobicContact CZ-CG2 4.25Å; L572-V575 HydrophobicContact CD1-CG2 3.86Å; L572-V575 HydrophobicContact CD2-CG2 3.75Å; L572-V575 HydrophobicContact CG-CG2 4.06Å; V575-V621 HydrophobicContact CB-CB 3.91Å; V575-V621 HydrophobicContact CB-CG1 4.46Å; V575-V621 HydrophobicContact CB-CG2 4.46Å; V575-V621 HydrophobicContact CG1-CB 3.78Å; V575-V621 HydrophobicContact CG1-CG1 4.22Å; V575-V621 HydrophobicContact CG1-CG2 3.85Å; V575-V621 PolarHBondContact O-N 3.22Å; V575-V621 VanDerWaalsContact O-N 3.09Å; V575-M624 HydrophobicContact CB-CG 4.06Å; V575-M624 HydrophobicContact CG2-CB 4.1Å; V575-M624 HydrophobicContact CG2-CG 3.76Å; V575-M624 HydrophobicContact CG2-SD 4.07Å
576L98.2Very high96.8Very high1 Ų127.4 Ų27.41%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-128.6135-177.6-66.8175000109.4L37 S561 F562 R574 G578 W607 R619 V620L37-L576 HydrophobicContact CB-CD1 4.24Å; L37-L576 HydrophobicContact CD2-CD1 3.91Å; L37-L576 HydrophobicContact CG-CD1 4.08Å; S561-L576 CarbonylContact C-O 3.51Å; S561-L576 VanDerWaalsContact CA-O 3.24Å; S561-L576 WeakPolarHBondContact CA-O 3.42Å; S561-L576 WeakPolarHBondContact CB-O 3.47Å; F562-L576 HydrophobicContact CD1-CB 4.09Å; F562-L576 VanDerWaalsContact CD1-O 3.29Å; F562-L576 WeakPolarHBondContact CD1-O 3.35Å; F562-L576 HydrophobicContact CD2-CB 4.5Å; F562-L576 HydrophobicContact CE1-CB 3.49Å; F562-L576 VanDerWaalsContact CE1-CB 3.49Å; F562-L576 HydrophobicContact CE1-CD1 4.32Å; F562-L576 HydrophobicContact CE2-CB 3.98Å; F562-L576 HydrophobicContact CE2-CD1 3.77Å; F562-L576 HydrophobicContact CE2-CG 4.33Å; F562-L576 HydrophobicContact CZ-CB 3.45Å; F562-L576 VanDerWaalsContact CZ-CB 3.45Å; F562-L576 HydrophobicContact CZ-CD1 3.44Å; F562-L576 VanDerWaalsContact CZ-CD1 3.44Å; F562-L576 HydrophobicContact CZ-CG 4.02Å; F562-L576 PolarHBondContact N-O 3.25Å; F562-L576 PolarHBondContact O-N 2.9Å; R574-L576 HydrophobicContact CG-CD2 4.4Å; R574-L576 HydrophobicContact CG-CG 4.35Å; L576-G578 PolarHBondContact O-N 3.01Å; L576-W607 HydrophobicContact CB-CZ3 4.35Å; L576-W607 HydrophobicContact CD1-CE3 4.21Å; L576-W607 HydrophobicContact CD1-CZ3 4.38Å; L576-R619 CarbonylContact C-O 3.59Å; L576-R619 WeakPolarHBondContact CA-O 3.27Å; L576-V620 HydrophobicContact CD2-CB 4.38Å; L576-V620 HydrophobicContact CD2-CG2 3.7Å
577Q97.7Very high96.8Very high85 Ų8525.5 Ų25.540%0.39713%0.128SC..EExtended strand (participates in β ladder)trans-76109.1176.3-173.7178.2-3.100109.8W607 R619Q577-W607 WeakPolarHBondContact O-CH2 3.29Å; Q577-R619 HydrophobicContact CB-CB 4.49Å; Q577-R619 PolarHBondContact N-O 3.16Å; Q577-R619 PolarHBondContact O-NH1 3.37Å
578G96.3Very high96.8Very high0 Ų025.8 Ų25.80%013%0.131CC..  trans-85.1-66.3178.900000111.8G560 L576 R605 R619G560-G578 CarbonylContact O-C 3.59Å; G560-G578 WeakPolarHBondContact O-CA 3.47Å; G560-G578 PolarHBondContact O-N 3.01Å; L576-G578 PolarHBondContact O-N 3.01Å; G578-R605 WeakPolarHBondContact O-CD 3.47Å; G578-R605 PolarHBondContact O-NE 3.34Å; G578-R605 PolarHBondContact O-NH1 3.28Å; G578-R619 PolarHBondContact O-NH1 2.95Å; G578-R619 VanDerWaalsContact O-NH1 3.12Å
579D94.8Very high96.9Very high1 Ų122 Ų221%0.00511%0.114CC..SBendtrans-115.8172-175-73.635.2000110.2G560 I582 V583 G599 I600 D601 R605G560-D579 CarbonylContact C-O 3.5Å; G560-D579 VanDerWaalsContact CA-O 3.26Å; G560-D579 WeakPolarHBondContact CA-O 3.44Å; G560-D579 PolarHBondContact O-N 2.82Å; G560-D579 VanDerWaalsContact O-O 3.08Å; D579-I582 WeakPolarHBondContact CB-O 3.48Å; D579-V583 HydrophobicContact CB-CG2 4.03Å; D579-G599 WeakPolarHBondContact OD2-CA 2.83Å; D579-G599 PolarHBondContact OD2-N 3.32Å; D579-G599 VanDerWaalsContact OD2-N 3.15Å; D579-I600 PolarHBondContact OD2-N 3.43Å; D579-I600 VanDerWaalsContact OD2-N 3.14Å; D579-D601 WeakPolarHBondContact CA-OD2 3.46Å; D579-D601 PolarHBondContact OD2-N 3.11Å; D579-D601 VanDerWaalsContact OD2-N 3.16Å; D579-R605 IonicContact OD1-CZ 2.98Å; D579-R605 IonicContact OD1-NH1 3.33Å; D579-R605 PolarHBondContact OD1-NH1 2.92Å; D579-R605 IonicContact OD2-NH1 3.79Å
580E91.6Very high96.6Very high164 Ų16424.6 Ų24.677%0.76613%0.13SC*.SBendtrans-69.6-33.4178.1-65.6-172.3166.300113D601E580-D601 PolarHBondContact N-OD2 2.93Å
581S90.9Very high96.2Very high36 Ų3626.2 Ų26.225%0.25214%0.143SC..SBendtrans-133.2-46-174.6-1790000114.9D558 D559 G560D558-S581 CarbonylContact C-O 3.57Å; D559-S581 CarbonylContact C-O 3.23Å; D559-S581 PolarHBondContact N-O 2.94Å; G560-S581 VanDerWaalsContact CA-C 3.47Å; G560-S581 WeakPolarHBondContact CA-O 3.3Å; G560-S581 VanDerWaalsContact N-C 3.33Å; G560-S581 PolarHBondContact N-O 3.47Å
582I94.9Very high95.8Very high8 Ų833.3 Ų33.34%0.04117%0.17CC..  trans-141.3128.1-175.7-54.6-179000110.3T537 T538 K541 D579 N584 G599 I600T537-I582 HydrophobicContact CG2-CD1 3.72Å; T538-I582 HydrophobicContact CG2-CD1 4.05Å; T538-I582 HydrophobicContact CG2-CG2 4.28Å; K541-I582 VanDerWaalsContact NZ-CG2 3.27Å; D579-I582 WeakPolarHBondContact CB-O 3.48Å; I582-N584 VanDerWaalsContact CG2-OD1 3.24Å; I582-N584 WeakPolarHBondContact CG2-OD1 3.4Å; I582-G599 VanDerWaalsContact O-CA 3.3Å; I582-G599 WeakPolarHBondContact O-CA 3.28Å; I582-I600 HydrophobicContact CB-CB 4.4Å; I582-I600 PolarHBondContact O-N 3.29Å; I582-I600 VanDerWaalsContact O-N 3.09Å
583V98Very high95.7Very high0 Ų033 Ų330%017%0.17CC..EExtended strand (participates in β ladder)trans-99122.3165-179.70000108.6K541 S557 G560 D579 L586K541-V583 PolarHBondContact NZ-O 3.04Å; S557-V583 PolarHBondContact N-O 2.91Å; S557-V583 PolarHBondContact O-N 2.83Å; G560-V583 WeakPolarHBondContact O-CG2 3.32Å; D579-V583 HydrophobicContact CB-CG2 4.03Å; V583-L586 HydrophobicContact CG1-CD1 4.13Å; V583-L586 HydrophobicContact CG1-CG 4.22Å
584N97.7Very high95.6Very high2 Ų232 Ų321%0.01116%0.162CC..EExtended strand (participates in β ladder)trans-104.3-42.4-178.8-73.9-33.5000112.7T538 I540 K541 E542 I582 S598T538-N584 PolarHBondContact OG1-OD1 3.23Å; I540-N584 HydrophobicContact CD1-CB 4.25Å; I540-N584 HydrophobicContact CG1-CB 4.37Å; K541-N584 PolarHBondContact NZ-OD1 3.18Å; E542-N584 WeakPolarHBondContact CB-O 3.45Å; E542-N584 WeakPolarHBondContact CG-O 3.43Å; E542-N584 PolarHBondContact N-O 3.03Å; I582-N584 VanDerWaalsContact CG2-OD1 3.24Å; I582-N584 WeakPolarHBondContact CG2-OD1 3.4Å; N584-S598 PolarHBondContact N-O 3.26Å
585C98Very high95.7Very high0 Ų031 Ų310%016%0.158CC..EExtended strand (participates in β ladder)trans-115.4140.9-172.5-67.30000112.3N51 C52 L53 E542 T597 S598N51-C585 PolarHBondContact O-SG 2.94Å; C52-C585 VanDerWaalsContact CA-SG 3.57Å; L53-C585 HydrophobicContact CD1-CB 4.18Å; L53-C585 HydrophobicContact CG-CB 4.24Å; E542-C585 WeakPolarHBondContact OE2-CA 3.33Å; C585-T597 WeakPolarHBondContact O-CA 3.43Å; C585-T597 WeakPolarHBondContact O-CB 3.33Å; C585-S598 WeakPolarHBondContact CB-OG 3.33Å; C585-S598 PolarHBondContact N-O 3.2Å; C585-S598 PolarHBondContact O-N 3.33Å; C585-S598 VanDerWaalsContact O-N 3.12Å
586L98.2Very high95.7Very high0 Ų031 Ų310%016%0.158CC..EExtended strand (participates in β ladder)trans-146.8102.9179.7-57.691.2000107.6E542 N544 V554 S555 G556 F562 V583 P588 L595 A596 T597E542-L586 HydrophobicContact CB-CD1 4.19Å; E542-L586 PolarHBondContact OE2-N 3.28Å; N544-L586 PolarHBondContact ND2-O 3.39Å; V554-L586 HydrophobicContact CB-CD2 4.21Å; V554-L586 HydrophobicContact CG2-CB 4.23Å; V554-L586 HydrophobicContact CG2-CD2 4.32Å; S555-L586 VanDerWaalsContact C-CD2 3.45Å; G556-L586 VanDerWaalsContact CA-CD1 3.48Å; F562-L586 HydrophobicContact CB-CD2 3.47Å; F562-L586 VanDerWaalsContact CB-CD2 3.47Å; F562-L586 HydrophobicContact CD2-CD2 4.18Å; F562-L586 HydrophobicContact CG-CD2 4.02Å; V583-L586 HydrophobicContact CG1-CD1 4.13Å; V583-L586 HydrophobicContact CG1-CG 4.22Å; L586-P588 VanDerWaalsContact O-CD 3.27Å; L586-P588 WeakPolarHBondContact O-CD 3.21Å; L586-L595 HydrophobicContact CB-CD1 4.19Å; L586-A596 WeakPolarHBondContact CA-O 3.47Å; L586-T597 HydrophobicContact CD2-CG2 4.38Å; L586-T597 HydrophobicContact CG-CG2 4.14Å
587Q98.3Very high95.7Very high17 Ų1730.9 Ų30.98%0.07916%0.157CC..EExtended strand (participates in β ladder)trans-114.195.8-177.2-70.1-62-39.400109.6L53 W55 Y273 E542 A596L53-Q587 HydrophobicContact CB-CB 4.28Å; L53-Q587 HydrophobicContact CB-CG 3.66Å; L53-Q587 WeakPolarHBondContact O-CG 3.43Å; W55-Q587 PolarHBondContact NE1-O 2.94Å; Y273-Q587 PolarHBondContact OH-NE2 2.87Å; E542-Q587 PolarHBondContact OE2-NE2 3.39Å; Q587-A596 PolarHBondContact N-O 3.3Å; Q587-A596 PolarHBondContact O-N 2.96Å
588P98.2Very high95.8Very high20 Ų2026.9 Ų26.913%0.1314%0.138CC..EExtended strand (participates in β ladder)trans-59.6138.8169.9-25.536.2000111.3N544 F545 F546 V554 L586 L595N544-P588 HydrophobicContact CB-CG 4.01Å; F545-P588 WeakPolarHBondContact O-CG 3.46Å; F546-P588 HydrophobicContact CB-CG 4.33Å; F546-P588 HydrophobicContact CD2-CB 3.7Å; F546-P588 HydrophobicContact CD2-CG 4.19Å; F546-P588 HydrophobicContact CE2-CB 4.21Å; F546-P588 HydrophobicContact CG-CB 4.45Å; F546-P588 HydrophobicContact CG-CG 4.47Å; V554-P588 HydrophobicContact CG2-CG 4.14Å; L586-P588 VanDerWaalsContact O-CD 3.27Å; L586-P588 WeakPolarHBondContact O-CD 3.21Å; P588-L595 HydrophobicContact CB-CD1 4.44Å; P588-L595 HydrophobicContact CG-CD1 3.94Å
589H96.9Very high95.7Very high9 Ų926.9 Ų26.94%0.04214%0.138CC..  trans-64.6143.2173.1-174.3-86000110.5W55 G59 S591 Y592 F594W55-H589 AromaticContact CE3-CD2 3.84Å; W55-H589 HydrophobicContact CZ2-CB 4.44Å; W55-H589 AromaticContact CZ3-CD2 3.71Å; G59-H589 WeakPolarHBondContact CA-NE2 3.48Å; G59-H589 PolarHBondContact O-CD2 3.28Å; G59-H589 PolarHBondContact O-NE2 3.27Å; H589-S591 VanDerWaalsContact C-N 3.27Å; H589-S591 PolarHBondContact CE1-OG 3.43Å; H589-S591 PolarHBondContact ND1-N 3.39Å; H589-S591 VanDerWaalsContact ND1-N 3.19Å; H589-S591 PolarHBondContact ND1-OG 3.27Å; H589-S591 PolarHBondContact O-N 3.28Å; H589-Y592 AromaticContact CE1-CD2 3.09Å; H589-Y592 WeakPolarHBondContact CE1-CD2 3.28Å; H589-Y592 AromaticContact CE1-CE2 3.58Å; H589-Y592 AromaticContact CE1-CG 3.91Å; H589-Y592 AromaticContact ND1-CD2 3.41Å; H589-Y592 WeakPolarHBondContact ND1-CD2 3.43Å; H589-Y592 AromaticContact ND1-CG 3.8Å; H589-Y592 PolarHBondContact ND1-N 2.96Å; H589-Y592 VanDerWaalsContact ND1-N 3.1Å; H589-Y592 AromaticContact NE2-CD2 3.72Å; H589-F594 HydrophobicContact CB-CB 3.71Å; H589-F594 HydrophobicContact CB-CD1 4.07Å; H589-F594 HydrophobicContact CB-CG 4.37Å; H589-F594 WeakPolarHBondContact CB-O 3.28Å; H589-F594 PolarHBondContact N-O 2.87Å
590P92.1Very high95.7Very high57 Ų5729 Ų2937%0.3715%0.149SC..SBendtrans-62.2-27.7-174.220-33.1000114.9H28H28-P590 PolarHBondContact CE1-O 3.12Å
591S89.2Confident95.9Very high59 Ų5922 Ų2241%0.41312%0.117SC..SBendtrans-138.3-4.6-169.5600000117.1H589H589-S591 VanDerWaalsContact C-N 3.27Å; H589-S591 PolarHBondContact CE1-OG 3.43Å; H589-S591 PolarHBondContact ND1-N 3.39Å; H589-S591 VanDerWaalsContact ND1-N 3.19Å; H589-S591 PolarHBondContact ND1-OG 3.27Å; H589-S591 PolarHBondContact O-N 3.28Å
592Y90.8Very high96.2Very high155 Ų15523 Ų2361%0.60812%0.123SC*.SBendtrans-126.4150.3179.4-58.5-52.9000109.8H28 H589 F594H28-Y592 WeakPolarHBondContact NE2-CA 3.45Å; H28-Y592 PolarHBondContact NE2-N 3.46Å; H28-Y592 PolarHBondContact NE2-O 3.47Å; H589-Y592 AromaticContact CE1-CD2 3.09Å; H589-Y592 WeakPolarHBondContact CE1-CD2 3.28Å; H589-Y592 AromaticContact CE1-CE2 3.58Å; H589-Y592 AromaticContact CE1-CG 3.91Å; H589-Y592 AromaticContact ND1-CD2 3.41Å; H589-Y592 WeakPolarHBondContact ND1-CD2 3.43Å; H589-Y592 AromaticContact ND1-CG 3.8Å; H589-Y592 PolarHBondContact ND1-N 2.96Å; H589-Y592 VanDerWaalsContact ND1-N 3.1Å; H589-Y592 AromaticContact NE2-CD2 3.72Å; Y592-F594 PolarHBondContact O-N 3.15Å
593C95Very high96.3Very high13 Ų1323.4 Ų23.49%0.08813%0.126CC..SBendtrans-68.580.3169.6-173.90000109.1H28 V29 F33 P609H28-C593 WeakPolarHBondContact O-CB 3.35Å; V29-C593 HydrophobicContact CG2-CB 4.19Å; F33-C593 HydrophobicContact CB-CB 4.37Å; F33-C593 HydrophobicContact CD2-CB 3.84Å; F33-C593 HydrophobicContact CG-CB 4.39Å; C593-P609 HydrophobicContact CB-CG 4.06Å; C593-P609 WeakPolarHBondContact O-CD 3.43Å
594F96.2Very high96.4Very high23 Ų2323.4 Ų23.410%0.10113%0.126CC..  trans-150139.4-172.3-170.3-128.5000107.4E40 W55 P76 H589 Y592 L606 W607 N608E40-F594 WeakPolarHBondContact OE2-CE2 3.47Å; W55-F594 AromaticContact CH2-CD1 3.77Å; W55-F594 HydrophobicContact CH2-CD1 3.77Å; W55-F594 AromaticContact CH2-CE1 3.56Å; W55-F594 HydrophobicContact CH2-CE1 3.56Å; W55-F594 AromaticContact CZ2-CD1 4Å; W55-F594 HydrophobicContact CZ2-CD1 4Å; W55-F594 HydrophobicContact CZ2-CE1 4.11Å; P76-F594 HydrophobicContact CB-CE1 4.19Å; H589-F594 HydrophobicContact CB-CB 3.71Å; H589-F594 HydrophobicContact CB-CD1 4.07Å; H589-F594 HydrophobicContact CB-CG 4.37Å; H589-F594 WeakPolarHBondContact CB-O 3.28Å; H589-F594 PolarHBondContact N-O 2.87Å; Y592-F594 PolarHBondContact O-N 3.15Å; F594-L606 HydrophobicContact CE1-CD2 4.26Å; F594-L606 HydrophobicContact CE2-CB 3.95Å; F594-L606 HydrophobicContact CZ-CB 3.79Å; F594-L606 HydrophobicContact CZ-CD1 3.99Å; F594-L606 HydrophobicContact CZ-CD2 3.98Å; F594-L606 HydrophobicContact CZ-CG 4.13Å; F594-W607 WeakPolarHBondContact CA-O 3.3Å; F594-W607 WeakPolarHBondContact CD2-O 3.32Å; F594-N608 HydrophobicContact CD2-CB 3.79Å; F594-N608 HydrophobicContact CE2-CB 4.14Å
595L98.1Very high96.4Very high0 Ų024 Ų240%013%0.128CC..EExtended strand (participates in β ladder)trans-137.5135.4-174.2171.869.9000108.4F546 F562 L586 P588 T597 L606 W607F546-L595 HydrophobicContact CZ-CB 4.35Å; F562-L595 HydrophobicContact CD2-CD2 4.19Å; F562-L595 HydrophobicContact CE2-CD2 3.67Å; F562-L595 HydrophobicContact CZ-CD2 4.11Å; L586-L595 HydrophobicContact CB-CD1 4.19Å; P588-L595 HydrophobicContact CB-CD1 4.44Å; P588-L595 HydrophobicContact CG-CD1 3.94Å; L595-T597 HydrophobicContact CD1-CG2 4.42Å; L595-T597 HydrophobicContact CD2-CG2 3.81Å; L595-T597 HydrophobicContact CG-CG2 3.84Å; L595-L606 CarbonylContact O-C 3.58Å; L595-W607 HydrophobicContact CB-CB 4.16Å; L595-W607 PolarHBondContact N-O 3.05Å; L595-W607 VanDerWaalsContact O-CD1 3.31Å; L595-W607 PolarHBondContact O-N 3.37Å
596A98.7Very high96.4Very high0 Ų024 Ų240%013%0.128CC..EExtended strand (participates in β ladder)trans-103.9134.1165.800000109.3L53 W55 L62 L586 Q587 V604 R605 L606L53-A596 HydrophobicContact CD1-CB 4.02Å; W55-A596 HydrophobicContact CZ2-CB 3.78Å; L62-A596 HydrophobicContact CD1-CB 4.19Å; L62-A596 HydrophobicContact CD2-CB 3.71Å; L586-A596 WeakPolarHBondContact CA-O 3.47Å; Q587-A596 PolarHBondContact N-O 3.3Å; Q587-A596 PolarHBondContact O-N 2.96Å; A596-V604 HydrophobicContact CB-CG1 4.44Å; A596-R605 CarbonylContact C-O 3.39Å; A596-R605 VanDerWaalsContact CA-O 3.28Å; A596-R605 WeakPolarHBondContact CA-O 3.39Å; A596-L606 HydrophobicContact CB-CD2 4.01Å
597T98.7Very high96.4Very high0 Ų024 Ų240%013%0.128CC..EExtended strand (participates in β ladder)trans-128.4155.8174.169.60000111.5F562 C585 L586 L595 R605 W607F562-T597 HydrophobicContact CD1-CG2 4.43Å; F562-T597 HydrophobicContact CE1-CG2 4.41Å; C585-T597 WeakPolarHBondContact O-CA 3.43Å; C585-T597 WeakPolarHBondContact O-CB 3.33Å; L586-T597 HydrophobicContact CD2-CG2 4.38Å; L586-T597 HydrophobicContact CG-CG2 4.14Å; L595-T597 HydrophobicContact CD1-CG2 4.42Å; L595-T597 HydrophobicContact CD2-CG2 3.81Å; L595-T597 HydrophobicContact CG-CG2 3.84Å; T597-R605 PolarHBondContact N-O 3.2Å; T597-R605 PolarHBondContact O-N 2.99Å; T597-W607 PolarHBondContact OG1-NE1 3.45Å
598S98.4Very high96.3Very high0 Ų024.9 Ų24.90%013%0.133CC..EExtended strand (participates in β ladder)trans-158.4170.1169.565.10000111.1V50 L53 N584 C585V50-S598 WeakPolarHBondContact O-CB 3.3Å; V50-S598 PolarHBondContact O-OG 2.84Å; L53-S598 WeakPolarHBondContact CD1-OG 3.33Å; N584-S598 PolarHBondContact N-O 3.26Å; C585-S598 WeakPolarHBondContact CB-OG 3.33Å; C585-S598 PolarHBondContact N-O 3.2Å; C585-S598 PolarHBondContact O-N 3.33Å; C585-S598 VanDerWaalsContact O-N 3.12Å
599G95.5Very high96.1Very high0 Ų025.3 Ų25.30%014%0.136CC..EExtended strand (participates in β ladder)trans-168.7-123.5-178.800000112.1C49 V50 D579 I582 D601C49-G599 WeakPolarHBondContact CB-O 3.5Å; V50-G599 PolarHBondContact N-O 3Å; V50-G599 VanDerWaalsContact N-O 3.15Å; D579-G599 WeakPolarHBondContact OD2-CA 2.83Å; D579-G599 PolarHBondContact OD2-N 3.32Å; D579-G599 VanDerWaalsContact OD2-N 3.15Å; I582-G599 VanDerWaalsContact O-CA 3.3Å; I582-G599 WeakPolarHBondContact O-CA 3.28Å; G599-D601 VanDerWaalsContact C-N 3.35Å
600I93.7Very high96Very high45 Ų4526.9 Ų26.923%0.23114%0.141CC..SBendtrans-75.3-28.2-177.7-15773.4000112C49 D579 I582 C674C49-I600 PolarHBondContact SG-O 3.23Å; D579-I600 PolarHBondContact OD2-N 3.43Å; D579-I600 VanDerWaalsContact OD2-N 3.14Å; I582-I600 HydrophobicContact CB-CB 4.4Å; I582-I600 PolarHBondContact O-N 3.29Å; I582-I600 VanDerWaalsContact O-N 3.09Å; I600-C674 HydrophobicContact CD1-CB 4.39Å
601D96Very high96.1Very high18 Ų1827.3 Ų27.310%0.09614%0.144CC..SBendtrans-73.6147.4179.6-60.6-7.8000109.7D579 E580 G599 V603 R605D579-D601 WeakPolarHBondContact CA-OD2 3.46Å; D579-D601 PolarHBondContact OD2-N 3.11Å; D579-D601 VanDerWaalsContact OD2-N 3.16Å; E580-D601 PolarHBondContact N-OD2 2.93Å; G599-D601 VanDerWaalsContact C-N 3.35Å; D601-V603 HydrophobicContact CB-CG2 3.95Å; D601-V603 PolarHBondContact O-N 3.36Å; D601-R605 IonicContact OD2-CZ 2.83Å; D601-R605 VanDerWaalsContact OD2-CZ 3.25Å; D601-R605 IonicContact OD2-NH1 3.95Å; D601-R605 PolarHBondContact OD2-NH1 2.91Å; D601-R605 IonicContact OD2-NH2 3.48Å; D601-R605 PolarHBondContact OD2-NH2 2.73Å
602P97.4Very high96.1Very high58 Ų5832.5 Ų32.538%0.37716%0.162SC..SBendtrans-79.535.3-179.135-37.8000113.2G48G48-P602 WeakPolarHBondContact O-CA 3.4Å; G48-P602 WeakPolarHBondContact O-CB 3.19Å
603V98.2Very high96Very high16 Ų1630.7 Ų30.710%0.09717%0.172CC..EExtended strand (participates in β ladder)trans-133.4153.7-176.3-59.80000111.7Q44 D601 R605Q44-V603 HydrophobicContact CG-CG1 4.14Å; D601-V603 HydrophobicContact CB-CG2 3.95Å; D601-V603 PolarHBondContact O-N 3.36Å; V603-R605 HydrophobicContact CG2-CG 4.21Å
604V98.7Very high95.6Very high0 Ų034 Ų340%019%0.186CC..EExtended strand (participates in β ladder)trans-104.4128.2168.4-178.40000108.6L43 V50 L53 L62 W74 A596L43-V604 HydrophobicContact CB-CB 4.18Å; L43-V604 HydrophobicContact CD1-CB 4.39Å; L43-V604 HydrophobicContact CD1-CG1 4.43Å; L43-V604 PolarHBondContact N-O 2.89Å; L43-V604 PolarHBondContact O-N 2.81Å; V50-V604 HydrophobicContact CG1-CG2 3.98Å; V50-V604 HydrophobicContact CG2-CG2 4.47Å; L53-V604 HydrophobicContact CD1-CG1 4.03Å; L53-V604 HydrophobicContact CD2-CB 4.44Å; L53-V604 HydrophobicContact CD2-CG1 3.84Å; L53-V604 HydrophobicContact CD2-CG2 3.72Å; L62-V604 HydrophobicContact CD2-CG1 3.83Å; W74-V604 HydrophobicContact CZ2-CG2 4.49Å; A596-V604 HydrophobicContact CB-CG1 4.44Å
605R98.4Very high94.9Very high14 Ų1438.6 Ų38.65%0.05321%0.212CC..EExtended strand (participates in β ladder)trans-104.7131.9-178.5-62.2-172.2167.696.8-4.7110.8L39 E42 G578 D579 A596 T597 D601 V603 W607L39-R605 HydrophobicContact CD1-CB 3.84Å; L39-R605 HydrophobicContact CD1-CG 4.2Å; E42-R605 HydrophobicContact CG-CG 4.2Å; E42-R605 IonicContact OE1-CZ 2.68Å; E42-R605 IonicContact OE1-NE 2.77Å; E42-R605 PolarHBondContact OE1-NE 3.49Å; E42-R605 IonicContact OE1-NH2 2.65Å; E42-R605 PolarHBondContact OE1-NH2 2.77Å; G578-R605 WeakPolarHBondContact O-CD 3.47Å; G578-R605 PolarHBondContact O-NE 3.34Å; G578-R605 PolarHBondContact O-NH1 3.28Å; D579-R605 IonicContact OD1-CZ 2.98Å; D579-R605 IonicContact OD1-NH1 3.33Å; D579-R605 PolarHBondContact OD1-NH1 2.92Å; D579-R605 IonicContact OD2-NH1 3.79Å; A596-R605 CarbonylContact C-O 3.39Å; A596-R605 VanDerWaalsContact CA-O 3.28Å; A596-R605 WeakPolarHBondContact CA-O 3.39Å; T597-R605 PolarHBondContact N-O 3.2Å; T597-R605 PolarHBondContact O-N 2.99Å; D601-R605 IonicContact OD2-CZ 2.83Å; D601-R605 VanDerWaalsContact OD2-CZ 3.25Å; D601-R605 IonicContact OD2-NH1 3.95Å; D601-R605 PolarHBondContact OD2-NH1 2.91Å; D601-R605 IonicContact OD2-NH2 3.48Å; D601-R605 PolarHBondContact OD2-NH2 2.73Å; V603-R605 HydrophobicContact CG2-CG 4.21Å; R605-W607 HydrophobicContact CB-CZ2 4.03Å
606L98.4Very high94Very high0 Ų040.3 Ų40.30%022%0.221CC..EExtended strand (participates in β ladder)trans-105.7133.5177.6-60.1178.2000109.4E40 A41 L43 L62 P76 F594 L595 A596E40-L606 HydrophobicContact CB-CB 4.46Å; E40-L606 WeakPolarHBondContact CB-O 3.14Å; E40-L606 PolarHBondContact N-O 3.49Å; A41-L606 HydrophobicContact CB-CB 4.49Å; A41-L606 HydrophobicContact CB-CD1 4.38Å; A41-L606 PolarHBondContact N-O 2.76Å; A41-L606 PolarHBondContact O-N 3.19Å; L43-L606 HydrophobicContact CD1-CD1 3.94Å; L43-L606 HydrophobicContact CD1-CD2 4.36Å; L43-L606 HydrophobicContact CD1-CG 4.2Å; L43-L606 HydrophobicContact CD2-CD1 3.87Å; L43-L606 HydrophobicContact CG-CD1 3.97Å; L43-L606 HydrophobicContact CG-CG 4.19Å; L62-L606 HydrophobicContact CD2-CD2 4.1Å; P76-L606 HydrophobicContact CB-CD1 3.94Å; P76-L606 HydrophobicContact CB-CD2 4.24Å; F594-L606 HydrophobicContact CE1-CD2 4.26Å; F594-L606 HydrophobicContact CE2-CB 3.95Å; F594-L606 HydrophobicContact CZ-CB 3.79Å; F594-L606 HydrophobicContact CZ-CD1 3.99Å; F594-L606 HydrophobicContact CZ-CD2 3.98Å; F594-L606 HydrophobicContact CZ-CG 4.13Å; L595-L606 CarbonylContact O-C 3.58Å; A596-L606 HydrophobicContact CB-CD2 4.01Å
607W97.9Very high92.8Very high0 Ų044.4 Ų44.40%025%0.246CC..EExtended strand (participates in β ladder)trans-127125.9-174.1-52.581.2000110.9L37 G38 L39 F562 L576 Q577 F594 L595 T597 R605L37-W607 HydrophobicContact CD1-CB 4.01Å; L37-W607 HydrophobicContact CG-CB 4.23Å; G38-W607 VanDerWaalsContact O-CA 3.3Å; G38-W607 WeakPolarHBondContact O-CA 3.48Å; L39-W607 HydrophobicContact CB-CE3 4.21Å; L39-W607 HydrophobicContact CB-CH2 4.26Å; L39-W607 HydrophobicContact CB-CZ3 3.93Å; L39-W607 HydrophobicContact CD1-CD2 4.46Å; L39-W607 HydrophobicContact CD1-CH2 4.23Å; L39-W607 HydrophobicContact CD1-CZ2 4.05Å; F562-W607 AromaticContact CE1-CD2 3.95Å; F562-W607 HydrophobicContact CE1-CD2 3.95Å; F562-W607 AromaticContact CE1-CE2 3.65Å; F562-W607 HydrophobicContact CE1-CE3 4.12Å; F562-W607 AromaticContact CE1-CH2 3.82Å; F562-W607 HydrophobicContact CE1-CH2 3.82Å; F562-W607 AromaticContact CE1-CZ2 3.62Å; F562-W607 HydrophobicContact CE1-CZ2 3.62Å; F562-W607 HydrophobicContact CE1-CZ3 4.05Å; F562-W607 AromaticContact CZ-CD2 3.74Å; F562-W607 HydrophobicContact CZ-CD2 3.74Å; F562-W607 AromaticContact CZ-CE2 3.92Å; F562-W607 AromaticContact CZ-CE3 3.86Å; F562-W607 HydrophobicContact CZ-CE3 3.86Å; F562-W607 HydrophobicContact CZ-CG 4.23Å; F562-W607 HydrophobicContact CZ-CH2 4.38Å; F562-W607 HydrophobicContact CZ-CZ2 4.28Å; F562-W607 HydrophobicContact CZ-CZ3 4.17Å; L576-W607 HydrophobicContact CB-CZ3 4.35Å; L576-W607 HydrophobicContact CD1-CE3 4.21Å; L576-W607 HydrophobicContact CD1-CZ3 4.38Å; Q577-W607 WeakPolarHBondContact O-CH2 3.29Å; F594-W607 WeakPolarHBondContact CA-O 3.3Å; F594-W607 WeakPolarHBondContact CD2-O 3.32Å; L595-W607 HydrophobicContact CB-CB 4.16Å; L595-W607 PolarHBondContact N-O 3.05Å; L595-W607 VanDerWaalsContact O-CD1 3.31Å; L595-W607 PolarHBondContact O-N 3.37Å; T597-W607 PolarHBondContact OG1-NE1 3.45Å; R605-W607 HydrophobicContact CB-CZ2 4.03Å
608N95.4Very high92Very high35 Ų3547.6 Ų47.619%0.18728%0.279CS..EExtended strand (participates in β ladder)trans-136.1158.5176.775.9-11.9000111.5L37 G38 E40 F594 R610L37-N608 WeakPolarHBondContact CA-O 3.31Å; G38-N608 PolarHBondContact N-O 2.9Å; G38-N608 PolarHBondContact O-N 2.75Å; E40-N608 VanDerWaalsContact OE2-CB 3.28Å; E40-N608 WeakPolarHBondContact OE2-CB 3.11Å; E40-N608 PolarHBondContact OE2-ND2 2.77Å; F594-N608 HydrophobicContact CD2-CB 3.79Å; F594-N608 HydrophobicContact CE2-CB 4.14Å; N608-R610 PolarHBondContact O-N 2.81Å; N608-R610 VanDerWaalsContact O-N 3.16Å; N608-R610 WeakPolarHBondContact OD1-CD 3.11Å; N608-R610 PolarHBondContact OD1-NH1 2.86Å
609P95.3Very high91.8Very high29 Ų2950.9 Ų50.919%0.18829%0.291CS..EExtended strand (participates in β ladder)trans-59.7116168.4-25.735.1000110.8F33 R36 C593F33-P609 HydrophobicContact CB-CB 4.25Å; F33-P609 HydrophobicContact CB-CG 3.64Å; F33-P609 HydrophobicContact CD1-CB 4.1Å; F33-P609 HydrophobicContact CD1-CG 4.09Å; F33-P609 HydrophobicContact CG-CB 4.39Å; F33-P609 HydrophobicContact CG-CG 3.91Å; R36-P609 HydrophobicContact CB-CB 4.37Å; R36-P609 WeakPolarHBondContact O-CA 3.41Å; C593-P609 HydrophobicContact CB-CG 4.06Å; C593-P609 WeakPolarHBondContact O-CD 3.43Å
610R94.7Very high91.8Very high43 Ų4352.2 Ų52.216%0.16230%0.299CS..  trans-78.6156.1-179.1-57.7-49.7-60.9-176.2-10.3112.5R36 N608 E614 L616R36-R610 PolarHBondContact NH1-O 3.34Å; R36-R610 PolarHBondContact O-N 3.02Å; N608-R610 PolarHBondContact O-N 2.81Å; N608-R610 VanDerWaalsContact O-N 3.16Å; N608-R610 WeakPolarHBondContact OD1-CD 3.11Å; N608-R610 PolarHBondContact OD1-NH1 2.86Å; R610-E614 IonicContact CZ-OE2 3.42Å; R610-E614 IonicContact NE-OE1 2.77Å; R610-E614 IonicContact NE-OE2 3.43Å; R610-E614 PolarHBondContact NE-OE2 3.45Å; R610-E614 IonicContact NH2-OE1 3.39Å; R610-E614 PolarHBondContact NH2-OE1 3.41Å; R610-E614 IonicContact NH2-OE2 2.72Å; R610-E614 PolarHBondContact NH2-OE2 2.99Å; R610-L616 HydrophobicContact CB-CD1 4.36Å; R610-L616 HydrophobicContact CB-CD2 3.47Å; R610-L616 VanDerWaalsContact CB-CD2 3.47Å; R610-L616 HydrophobicContact CB-CG 4.44Å; R610-L616 HydrophobicContact CG-CD2 3.31Å
611P93.1Very high92Very high66 Ų6651.6 Ų51.643%0.42930%0.298SS..  trans-51.9143.2171.4-25.335.1000111.9S613 E614P611-S613 PolarHBondContact O-N 3.04Å; P611-S613 VanDerWaalsContact O-N 3.13Å; P611-E614 WeakPolarHBondContact CD-OE2 3.47Å; P611-E614 WeakPolarHBondContact O-CB 3.04Å; P611-E614 PolarHBondContact O-N 3.32Å
612E89.5Confident91.9Very high167 Ų16757.5 Ų57.578%0.7833%0.325SS*.THydrogen-bonded Turntrans-63.5-17.6178.6-72.1175-174.500113.5E614E612-E614 VanDerWaalsContact C-N 3.34Å
613S88.9Confident91.8Very high118 Ų11859.8 Ų59.883%0.82533%0.334SS*.THydrogen-bonded Turntrans-80.6-12.4175.856.20000114P611P611-S613 PolarHBondContact O-N 3.04Å; P611-S613 VanDerWaalsContact O-N 3.13Å
614E87.1Confident91.7Very high82 Ų8261.8 Ų61.838%0.38334%0.343SS..SBendtrans-92.4134.3-176.9-169.7172.4-175.300110.4R610 P611 E612R610-E614 IonicContact CZ-OE2 3.42Å; R610-E614 IonicContact NE-OE1 2.77Å; R610-E614 IonicContact NE-OE2 3.43Å; R610-E614 PolarHBondContact NE-OE2 3.45Å; R610-E614 IonicContact NH2-OE1 3.39Å; R610-E614 PolarHBondContact NH2-OE1 3.41Å; R610-E614 IonicContact NH2-OE2 2.72Å; R610-E614 PolarHBondContact NH2-OE2 2.99Å; P611-E614 WeakPolarHBondContact CD-OE2 3.47Å; P611-E614 WeakPolarHBondContact O-CB 3.04Å; P611-E614 PolarHBondContact O-N 3.32Å; E612-E614 VanDerWaalsContact C-N 3.34Å
615D81.3Confident91.6Very high120 Ų12065.6 Ų65.664%0.64236%0.361SS*.  trans-79.5128.3172.7-174.116.8000110.2T617D615-T617 VanDerWaalsContact CG-OG1 3.28Å; D615-T617 WeakPolarHBondContact OD1-CG2 3.27Å; D615-T617 PolarHBondContact OD1-N 2.84Å; D615-T617 PolarHBondContact OD1-OG1 3.48Å; D615-T617 PolarHBondContact OD2-OG1 3.5Å
616L77.6Confident91.5Very high36 Ų3666 Ų6619%0.18837%0.369CS..  trans-103.13-174.9-58.6175.8000113.4R36 R610 G618 V620R36-L616 HydrophobicContact CB-CD1 4.32Å; R36-L616 WeakPolarHBondContact O-CD1 3.27Å; R610-L616 HydrophobicContact CB-CD1 4.36Å; R610-L616 HydrophobicContact CB-CD2 3.47Å; R610-L616 VanDerWaalsContact CB-CD2 3.47Å; R610-L616 HydrophobicContact CB-CG 4.44Å; R610-L616 HydrophobicContact CG-CD2 3.31Å; L616-G618 PolarHBondContact O-N 2.85Å; L616-G618 VanDerWaalsContact O-N 3.07Å; L616-V620 HydrophobicContact CB-CG2 4.21Å; L616-V620 VanDerWaalsContact O-CG2 3.23Å; L616-V620 WeakPolarHBondContact O-CG2 3.15Å
617T74.1Confident91.4Very high85 Ų8566.8 Ų66.852%0.52138%0.376SS..G310 helixtrans-54.6-30.7-171.249.10000114.5D615 R619 V620D615-T617 VanDerWaalsContact CG-OG1 3.28Å; D615-T617 WeakPolarHBondContact OD1-CG2 3.27Å; D615-T617 PolarHBondContact OD1-N 2.84Å; D615-T617 PolarHBondContact OD1-OG1 3.48Å; D615-T617 PolarHBondContact OD2-OG1 3.5Å; T617-R619 VanDerWaalsContact C-N 3.28Å; T617-R619 PolarHBondContact O-N 3.48Å; T617-R619 VanDerWaalsContact O-N 3.12Å; T617-V620 PolarHBondContact O-N 3.16Å
618G82.9Confident91.4Very high68 Ų6866.9 Ų66.970%0.70138%0.376SS*.G310 helixtrans-62.6-22.8-17100000116.7L616L616-G618 PolarHBondContact O-N 2.85Å; L616-G618 VanDerWaalsContact O-N 3.07Å
619R93.9Very high91.5Very high68 Ų6869.4 Ų69.426%0.25739%0.387SS..G310 helixtrans-1305.9179.7-67-173.4179.5-109.98.9113.8L39 E42 L576 Q577 G578 T617L39-R619 VanDerWaalsContact CD2-NE 3.33Å; E42-R619 IonicContact OE1-CZ 3.22Å; E42-R619 IonicContact OE1-NH2 3.46Å; E42-R619 PolarHBondContact OE1-NH2 3.24Å; L576-R619 CarbonylContact C-O 3.59Å; L576-R619 WeakPolarHBondContact CA-O 3.27Å; Q577-R619 HydrophobicContact CB-CB 4.49Å; Q577-R619 PolarHBondContact N-O 3.16Å; Q577-R619 PolarHBondContact O-NH1 3.37Å; G578-R619 PolarHBondContact O-NH1 2.95Å; G578-R619 VanDerWaalsContact O-NH1 3.12Å; T617-R619 VanDerWaalsContact C-N 3.28Å; T617-R619 PolarHBondContact O-N 3.48Å; T617-R619 VanDerWaalsContact O-N 3.12Å
620V95.8Very high91.5Very high28 Ų2870.2 Ų70.217%0.1740%0.396CS..BIsolated β-bridgetrans-85.2127.6177.41770000108.7R574 L576 L616 T617 E622R574-V620 VanDerWaalsContact NH2-CG2 3.29Å; L576-V620 HydrophobicContact CD2-CB 4.38Å; L576-V620 HydrophobicContact CD2-CG2 3.7Å; L616-V620 HydrophobicContact CB-CG2 4.21Å; L616-V620 VanDerWaalsContact O-CG2 3.23Å; L616-V620 WeakPolarHBondContact O-CG2 3.15Å; T617-V620 PolarHBondContact O-N 3.16Å; V620-E622 VanDerWaalsContact CG1-OE1 3.27Å; V620-E622 WeakPolarHBondContact CG1-OE1 3.27Å; V620-E622 PolarHBondContact O-N 3.14Å
621V96.5Very high91.5Very high32 Ų3268.2 Ų68.219%0.19439%0.388CS..  trans-8698.1171.3179.10000107.8V575 M624 A627V575-V621 HydrophobicContact CB-CB 3.91Å; V575-V621 HydrophobicContact CB-CG1 4.46Å; V575-V621 HydrophobicContact CB-CG2 4.46Å; V575-V621 HydrophobicContact CG1-CB 3.78Å; V575-V621 HydrophobicContact CG1-CG1 4.22Å; V575-V621 HydrophobicContact CG1-CG2 3.85Å; V575-V621 PolarHBondContact O-N 3.22Å; V575-V621 VanDerWaalsContact O-N 3.09Å; V621-M624 VanDerWaalsContact O-CG 3.29Å; V621-M624 WeakPolarHBondContact O-CG 3.38Å; V621-A627 HydrophobicContact CG1-CB 3.89Å
622E94.2Very high91.6Very high143 Ų14365.5 Ų65.567%0.66837%0.37SS*.SBendtrans-65.3-44.4-177.8-64.8-61.6151.800112V620 M624V620-E622 VanDerWaalsContact CG1-OE1 3.27Å; V620-E622 WeakPolarHBondContact CG1-OE1 3.27Å; V620-E622 PolarHBondContact O-N 3.14Å; E622-M624 VanDerWaalsContact C-N 3.31Å; E622-M624 PolarHBondContact O-N 3.05Å
623D96Very high91.8Very high106 Ų10662.6 Ų62.657%0.56735%0.352SS*.  trans-84.970.6175.5-173.613.2000111.9E625 G626 A627D623-E625 PolarHBondContact O-N 3.05Å; D623-G626 PolarHBondContact O-N 3.4Å; D623-G626 PolarHBondContact OD1-N 3.26Å; D623-G626 WeakPolarHBondContact OD2-CA 3.33Å; D623-A627 PolarHBondContact O-N 2.91Å
624M96.3Very high91.9Very high57 Ų5758.9 Ų58.928%0.28132%0.32SS..Hα-helixtrans-61.6-30.8178.1-63.7-172.7-76.300113L572 V575 V621 E622 S628L572-M624 HydrophobicContact CD2-CB 3.98Å; L572-M624 HydrophobicContact CG-SD 4.28Å; V575-M624 HydrophobicContact CB-CG 4.06Å; V575-M624 HydrophobicContact CG2-CB 4.1Å; V575-M624 HydrophobicContact CG2-CG 3.76Å; V575-M624 HydrophobicContact CG2-SD 4.07Å; V621-M624 VanDerWaalsContact O-CG 3.29Å; V621-M624 WeakPolarHBondContact O-CG 3.38Å; E622-M624 VanDerWaalsContact C-N 3.31Å; E622-M624 PolarHBondContact O-N 3.05Å; M624-S628 WeakPolarHBondContact O-CB 3.42Å; M624-S628 PolarHBondContact O-N 2.99Å; M624-S628 PolarHBondContact O-OG 3.04Å
625E95.4Very high92Very high81 Ų8155.1 Ų55.138%0.37930%0.303SS..Hα-helixtrans-74.1-44.5178.9179.8161.3-154.700111.1T379 D623 S628 Q629T379-E625 WeakPolarHBondContact CB-OE1 3.38Å; T379-E625 PolarHBondContact OG1-OE1 3.35Å; D623-E625 PolarHBondContact O-N 3.05Å; E625-S628 PolarHBondContact O-N 2.95Å; E625-Q629 WeakPolarHBondContact O-CB 3.11Å; E625-Q629 PolarHBondContact O-N 3.08Å
626G96.4Very high92.4Very high22 Ų2252.2 Ų52.223%0.22729%0.287CS..Hα-helixtrans-59.3-45.7173.400000112.3D623 S628 Q629 A630D623-G626 PolarHBondContact O-N 3.4Å; D623-G626 PolarHBondContact OD1-N 3.26Å; D623-G626 WeakPolarHBondContact OD2-CA 3.33Å; G626-S628 PolarHBondContact O-N 3.46Å; G626-Q629 PolarHBondContact O-N 3.47Å; G626-A630 WeakPolarHBondContact O-CB 3.22Å; G626-A630 PolarHBondContact O-N 3.43Å
627A97Very high92.9Very high17 Ų1751.3 Ų51.314%0.1429%0.285CS..Hα-helixtrans-59.1-48.1174.600000111.8V621 D623 Q629 A630 N631V621-A627 HydrophobicContact CG1-CB 3.89Å; D623-A627 PolarHBondContact O-N 2.91Å; A627-Q629 VanDerWaalsContact C-N 3.33Å; A627-Q629 PolarHBondContact O-N 2.98Å; A627-A630 PolarHBondContact O-N 3.44Å; A627-N631 PolarHBondContact O-N 3.46Å; A627-N631 PolarHBondContact O-ND2 2.98Å
628S98.1Very high93.3Very high2 Ų251.5 Ų51.51%0.01428%0.282CS..Hα-helixtrans-61.7-40.6177.3-60.70000112.3L572 M624 E625 G626 N631 Q632L572-S628 WeakPolarHBondContact CD2-OG 3.41Å; M624-S628 WeakPolarHBondContact O-CB 3.42Å; M624-S628 PolarHBondContact O-N 2.99Å; M624-S628 PolarHBondContact O-OG 3.04Å; E625-S628 PolarHBondContact O-N 2.95Å; G626-S628 PolarHBondContact O-N 3.46Å; S628-N631 PolarHBondContact O-N 2.85Å; S628-Q632 VanDerWaalsContact O-CG 3.31Å; S628-Q632 WeakPolarHBondContact O-CG 3.37Å; S628-Q632 PolarHBondContact O-N 2.86Å
629Q96.6Very high93.1Very high88 Ų8850.9 Ų50.941%0.41127%0.266SS..Hα-helixtrans-68.3-40178.8-169.6-179.447.900111.7E625 G626 A627 N631 Q632 R633E625-Q629 WeakPolarHBondContact O-CB 3.11Å; E625-Q629 PolarHBondContact O-N 3.08Å; G626-Q629 PolarHBondContact O-N 3.47Å; A627-Q629 VanDerWaalsContact C-N 3.33Å; A627-Q629 PolarHBondContact O-N 2.98Å; Q629-N631 VanDerWaalsContact C-N 3.31Å; Q629-N631 PolarHBondContact O-N 3.43Å; Q629-Q632 PolarHBondContact O-N 3.35Å; Q629-R633 WeakPolarHBondContact O-CG 3.46Å; Q629-R633 PolarHBondContact O-N 3.42Å; Q629-R633 VanDerWaalsContact O-N 3.08Å
630A95.2Very high92.5Very high46 Ų4652.6 Ų52.638%0.3828%0.28SS..Hα-helixtrans-60.4-42.8173.800000111.1G626 A627 Q632 R633 R634G626-A630 WeakPolarHBondContact O-CB 3.22Å; G626-A630 PolarHBondContact O-N 3.43Å; A627-A630 PolarHBondContact O-N 3.44Å; A630-Q632 PolarHBondContact O-N 2.87Å; A630-R633 WeakPolarHBondContact O-CB 3.12Å; A630-R633 PolarHBondContact O-N 3.28Å; A630-R634 PolarHBondContact O-N 3.28Å
631N96.1Very high91.8Very high0 Ų054 Ų540%029%0.285CS..Hα-helixtrans-65.9-36.4176.1-76.2-23.2000113.5G532 C534 S557 D559 F563 A627 S628 Q629 R633 R634 M635G532-N631 WeakPolarHBondContact O-CB 3.25Å; G532-N631 PolarHBondContact O-ND2 3.34Å; C534-N631 HydrophobicContact CB-CB 3.83Å; S557-N631 PolarHBondContact OG-ND2 2.93Å; D559-N631 PolarHBondContact OD2-ND2 3.28Å; D559-N631 PolarHBondContact OD2-OD1 2.97Å; F563-N631 WeakPolarHBondContact CZ-ND2 3.48Å; A627-N631 PolarHBondContact O-N 3.46Å; A627-N631 PolarHBondContact O-ND2 2.98Å; S628-N631 PolarHBondContact O-N 2.85Å; Q629-N631 VanDerWaalsContact C-N 3.31Å; Q629-N631 PolarHBondContact O-N 3.43Å; N631-R633 VanDerWaalsContact C-N 3.3Å; N631-R633 PolarHBondContact O-N 2.96Å; N631-R634 PolarHBondContact O-N 3.26Å; N631-R634 PolarHBondContact OD1-NH1 3.19Å; N631-M635 WeakPolarHBondContact O-CB 3.26Å; N631-M635 PolarHBondContact O-N 3.34Å
632Q95.1Very high90.8Very high9 Ų953.2 Ų53.24%0.04228%0.28CS..Hα-helixtrans-63.7-36.1172.3-69.4-68.5-49.200112.3W411 S628 Q629 A630 M635 N636W411-Q632 HydrophobicContact CB-CG 4.27Å; W411-Q632 HydrophobicContact CD2-CG 3.57Å; W411-Q632 HydrophobicContact CE3-CG 4Å; W411-Q632 HydrophobicContact CG-CG 3.68Å; W411-Q632 HydrophobicContact CZ2-CG 4.46Å; S628-Q632 VanDerWaalsContact O-CG 3.31Å; S628-Q632 WeakPolarHBondContact O-CG 3.37Å; S628-Q632 PolarHBondContact O-N 2.86Å; Q629-Q632 PolarHBondContact O-N 3.35Å; A630-Q632 PolarHBondContact O-N 2.87Å; Q632-M635 VanDerWaalsContact OE1-CE 3.29Å; Q632-N636 PolarHBondContact O-N 3.24Å; Q632-N636 PolarHBondContact O-ND2 2.95Å
633R92.5Very high90Very high106 Ų10651 Ų5140%0.427%0.271SS..Hα-helixtrans-68.8-48.6173.4-66.9176.2-168.9151.98.8111.1Q629 A630 N631 M635 N636 A637 L654Q629-R633 WeakPolarHBondContact O-CG 3.46Å; Q629-R633 PolarHBondContact O-N 3.42Å; Q629-R633 VanDerWaalsContact O-N 3.08Å; A630-R633 WeakPolarHBondContact O-CB 3.12Å; A630-R633 PolarHBondContact O-N 3.28Å; N631-R633 VanDerWaalsContact C-N 3.3Å; N631-R633 PolarHBondContact O-N 2.96Å; R633-M635 VanDerWaalsContact C-N 3.28Å; R633-M635 PolarHBondContact O-N 2.9Å; R633-N636 CarbonylContact O-C 3.54Å; R633-N636 WeakPolarHBondContact O-CA 3.48Å; R633-N636 PolarHBondContact O-N 3.07Å; R633-A637 PolarHBondContact O-N 3.48Å; R633-L654 HydrophobicContact CB-CD2 4.45Å
634R91.1Very high89Confident40 Ų4048.5 Ų48.515%0.15126%0.257CS..Hα-helixtrans-53.7-44.9176.8178.9-178-88.3128.5-10.6111.7C534 A630 N631 N636 A637 V642 L645C534-R634 VanDerWaalsContact SG-CD 3.56Å; A630-R634 PolarHBondContact O-N 3.28Å; N631-R634 PolarHBondContact O-N 3.26Å; N631-R634 PolarHBondContact OD1-NH1 3.19Å; R634-N636 PolarHBondContact O-N 3.35Å; R634-A637 WeakPolarHBondContact O-CB 3.23Å; R634-A637 PolarHBondContact O-N 2.93Å; R634-V642 WeakPolarHBondContact O-CG2 3.29Å; R634-L645 HydrophobicContact CG-CD1 4.49Å
635M90.2Very high88Confident4 Ų447.5 Ų47.52%0.0225%0.253CS..THydrogen-bonded Turntrans-66.8-18.6178.4-178.4-176.249.300113.9R267 Q291 D412 T536 N631 Q632 R633R267-M635 VanDerWaalsContact CZ-CG 3.49Å; R267-M635 PolarHBondContact NH1-O 3.45Å; R267-M635 PolarHBondContact NH2-SD 2.95Å; Q291-M635 PolarHBondContact NE2-SD 2.67Å; Q291-M635 VanDerWaalsContact NE2-SD 3.42Å; D412-M635 HydrophobicContact CB-CE 3.95Å; D412-M635 WeakPolarHBondContact OD2-CE 3.27Å; T536-M635 HydrophobicContact CG2-CB 4.31Å; T536-M635 HydrophobicContact CG2-CG 4.2Å; N631-M635 WeakPolarHBondContact O-CB 3.26Å; N631-M635 PolarHBondContact O-N 3.34Å; Q632-M635 VanDerWaalsContact OE1-CE 3.29Å; R633-M635 VanDerWaalsContact C-N 3.28Å; R633-M635 PolarHBondContact O-N 2.9Å
636N89.4Confident86.7Confident58 Ų5845.4 Ų45.431%0.3124%0.244SC..THydrogen-bonded Turntrans-105.8-0.6177.3-78.7-74.3000113.9R265 R267 D412 Q632 R633 R634R265-N636 PolarHBondContact NH1-OD1 3.02Å; R267-N636 PolarHBondContact NH1-OD1 3.17Å; D412-N636 PolarHBondContact OD2-ND2 3.36Å; D412-N636 PolarHBondContact OD2-OD1 3.26Å; Q632-N636 PolarHBondContact O-N 3.24Å; Q632-N636 PolarHBondContact O-ND2 2.95Å; R633-N636 CarbonylContact O-C 3.54Å; R633-N636 WeakPolarHBondContact O-CA 3.48Å; R633-N636 PolarHBondContact O-N 3.07Å; R634-N636 PolarHBondContact O-N 3.35Å
637A87.8Confident85.4Confident18 Ų1848.6 Ų48.615%0.14925%0.254CS..SBendtrans-73.7159.8177.100000111.3R633 R634 E641 V642R633-A637 PolarHBondContact O-N 3.48Å; R634-A637 WeakPolarHBondContact O-CB 3.23Å; R634-A637 PolarHBondContact O-N 2.93Å; A637-E641 HydrophobicContact CB-CB 4.17Å; A637-E641 HydrophobicContact CB-CG 4.08Å; A637-E641 VanDerWaalsContact CB-OE2 3.27Å; A637-E641 WeakPolarHBondContact CB-OE2 3.24Å; A637-V642 HydrophobicContact CB-CG2 3.85Å
638D84Confident83.8Confident88 Ų8850.7 Ų50.747%0.47128%0.277SS..  trans-66.5147.4172.8-179-90.1000110.5L640 E641 V642D638-L640 PolarHBondContact O-N 3.24Å; D638-L640 VanDerWaalsContact O-N 3.12Å; D638-L640 VanDerWaalsContact OD1-CB 3.24Å; D638-L640 WeakPolarHBondContact OD1-CB 3.35Å; D638-L640 PolarHBondContact OD1-N 3.24Å; D638-E641 HydrophobicContact CB-CB 4.32Å; D638-E641 PolarHBondContact N-OE2 3.07Å; D638-E641 WeakPolarHBondContact O-CA 3.31Å; D638-E641 VanDerWaalsContact O-CB 3.28Å; D638-E641 WeakPolarHBondContact O-CB 3.35Å; D638-E641 PolarHBondContact O-N 2.79Å; D638-V642 WeakPolarHBondContact O-CG2 3.35Å; D638-V642 PolarHBondContact O-N 3.14Å
639P77.6Confident82Confident55 Ų5556.7 Ų56.736%0.35730%0.3SS..Hα-helixtrans-53-34178.2-28.535.3000114.9L266 V642 M643L266-P639 HydrophobicContact CB-CG 3.82Å; L266-P639 HydrophobicContact CD1-CG 4.45Å; P639-V642 PolarHBondContact O-N 3.26Å; P639-M643 WeakPolarHBondContact O-CB 3.34Å; P639-M643 PolarHBondContact O-N 2.97Å
640L81Confident79.8Confident105 Ų10563.4 Ų63.455%0.5532%0.322SS..Hα-helixtrans-67.1-40.1176-178.164000111.5D638 M643 L644D638-L640 PolarHBondContact O-N 3.24Å; D638-L640 VanDerWaalsContact O-N 3.12Å; D638-L640 VanDerWaalsContact OD1-CB 3.24Å; D638-L640 WeakPolarHBondContact OD1-CB 3.35Å; D638-L640 PolarHBondContact OD1-N 3.24Å; L640-M643 HydrophobicContact CD1-CE 3.74Å; L640-M643 PolarHBondContact O-N 3.4Å; L640-L644 HydrophobicContact CG-CD1 4.5Å; L640-L644 WeakPolarHBondContact O-CG 3.33Å; L640-L644 PolarHBondContact O-N 2.89Å
641E81.2Confident77.9Confident57 Ų5763.2 Ų63.227%0.26631%0.314SS..Hα-helixtrans-65.4-43.4176.4-169.8179.7-168.900110.7A637 D638 L644 L645 I651 L654A637-E641 HydrophobicContact CB-CB 4.17Å; A637-E641 HydrophobicContact CB-CG 4.08Å; A637-E641 VanDerWaalsContact CB-OE2 3.27Å; A637-E641 WeakPolarHBondContact CB-OE2 3.24Å; D638-E641 HydrophobicContact CB-CB 4.32Å; D638-E641 PolarHBondContact N-OE2 3.07Å; D638-E641 WeakPolarHBondContact O-CA 3.31Å; D638-E641 VanDerWaalsContact O-CB 3.28Å; D638-E641 WeakPolarHBondContact O-CB 3.35Å; D638-E641 PolarHBondContact O-N 2.79Å; E641-L644 PolarHBondContact O-N 2.73Å; E641-L645 WeakPolarHBondContact O-CG 3.46Å; E641-L645 PolarHBondContact O-N 3.32Å; E641-I651 HydrophobicContact CB-CD1 4.27Å; E641-I651 HydrophobicContact CG-CD1 3.51Å; E641-L654 HydrophobicContact CG-CD1 3.71Å; E641-L654 WeakPolarHBondContact OE1-CD1 3.09Å; E641-L654 WeakPolarHBondContact OE1-CG 3.4Å
642V77Confident75.2Confident15 Ų1570 Ų709%0.09136%0.355CS..Hα-helixtrans-60.9-45.6174.11770000111.2R634 A637 D638 P639 L644 L645 N646R634-V642 WeakPolarHBondContact O-CG2 3.29Å; A637-V642 HydrophobicContact CB-CG2 3.85Å; D638-V642 WeakPolarHBondContact O-CG2 3.35Å; D638-V642 PolarHBondContact O-N 3.14Å; P639-V642 PolarHBondContact O-N 3.26Å; V642-L644 PolarHBondContact O-N 2.97Å; V642-L645 PolarHBondContact O-N 3.02Å; V642-N646 PolarHBondContact O-N 3.1Å; V642-N646 PolarHBondContact O-ND2 3.04Å
643M75.9Confident72.9Confident98 Ų9873.4 Ų73.448%0.48339%0.393SS..Hα-helixtrans-58.7-46.2177.6-174.1-172.279.400111.6P639 L640 N646 M647P639-M643 WeakPolarHBondContact O-CB 3.34Å; P639-M643 PolarHBondContact O-N 2.97Å; L640-M643 HydrophobicContact CD1-CE 3.74Å; L640-M643 PolarHBondContact O-N 3.4Å; M643-N646 PolarHBondContact O-N 3.27Å; M643-M647 HydrophobicContact CE-SD 4.45Å; M643-M647 HydrophobicContact CG-SD 4.31Å; M643-M647 WeakPolarHBondContact O-CG 3.39Å; M643-M647 PolarHBondContact O-N 3.43Å
644L76.2Confident70.7Confident53 Ų5370.1 Ų70.128%0.27738%0.383SS..Hα-helixtrans-62.9-42.8177.5-74.1172.2000112.2L640 E641 V642 N646 M647 G648 Y649 I651L640-L644 HydrophobicContact CG-CD1 4.5Å; L640-L644 WeakPolarHBondContact O-CG 3.33Å; L640-L644 PolarHBondContact O-N 2.89Å; E641-L644 PolarHBondContact O-N 2.73Å; V642-L644 PolarHBondContact O-N 2.97Å; L644-N646 VanDerWaalsContact C-N 3.3Å; L644-N646 PolarHBondContact O-N 2.97Å; L644-M647 PolarHBondContact O-N 3.18Å; L644-G648 PolarHBondContact O-N 3.4Å; L644-Y649 HydrophobicContact CD2-CD2 3.97Å; L644-Y649 HydrophobicContact CD2-CE2 4.42Å; L644-Y649 HydrophobicContact CD2-CG 4.29Å; L644-Y649 WeakPolarHBondContact O-CB 3.28Å; L644-Y649 PolarHBondContact O-N 3.18Å; L644-I651 HydrophobicContact CB-CD1 3.86Å; L644-I651 HydrophobicContact CB-CG1 4.49Å; L644-I651 HydrophobicContact CD1-CD1 4.14Å
645L74.1Confident68.1Low36 Ų3671.7 Ų71.719%0.18840%0.401CS..Hα-helixtrans-59.1-41.2175-76.3171.2000112.1R634 E641 V642 M647 G648 I651 L654R634-L645 HydrophobicContact CG-CD1 4.49Å; E641-L645 WeakPolarHBondContact O-CG 3.46Å; E641-L645 PolarHBondContact O-N 3.32Å; V642-L645 PolarHBondContact O-N 3.02Å; L645-M647 VanDerWaalsContact C-N 3.3Å; L645-M647 PolarHBondContact O-N 2.9Å; L645-G648 PolarHBondContact O-N 3.39Å; L645-G648 VanDerWaalsContact O-N 3.15Å; L645-I651 HydrophobicContact CG-CD1 4.28Å; L645-L654 HydrophobicContact CD1-CD1 3.95Å; L645-L654 HydrophobicContact CD2-CD1 4.1Å; L645-L654 HydrophobicContact CG-CD1 4.25Å
646N68.4Low65.4Low36 Ų3676 Ų7619%0.19343%0.431CS..Hα-helixtrans-71.9-25.7179.2-66.1-19.5000112.9T537 V642 M643 L644 G648T537-N646 WeakPolarHBondContact CG2-ND2 3.41Å; T537-N646 PolarHBondContact OG1-ND2 3.19Å; V642-N646 PolarHBondContact O-N 3.1Å; V642-N646 PolarHBondContact O-ND2 3.04Å; M643-N646 PolarHBondContact O-N 3.27Å; L644-N646 VanDerWaalsContact C-N 3.3Å; L644-N646 PolarHBondContact O-N 2.97Å; N646-G648 PolarHBondContact O-N 3.46Å
647M69.9Low62.4Low90 Ų9077.6 Ų77.644%0.44346%0.462SS..THydrogen-bonded Turntrans-79.71.4172-68.1177.575.500113.2M643 L644 L645 Y649M643-M647 HydrophobicContact CE-SD 4.45Å; M643-M647 HydrophobicContact CG-SD 4.31Å; M643-M647 WeakPolarHBondContact O-CG 3.39Å; M643-M647 PolarHBondContact O-N 3.43Å; L644-M647 PolarHBondContact O-N 3.18Å; L645-M647 VanDerWaalsContact C-N 3.3Å; L645-M647 PolarHBondContact O-N 2.9Å; M647-Y649 HydrophobicContact CB-CD2 3.81Å; M647-Y649 HydrophobicContact CB-CE2 4.03Å; M647-Y649 HydrophobicContact CE-CE2 4.38Å
648G62Low59.4Low60 Ų6079.9 Ų79.962%0.61949%0.487SS*.THydrogen-bonded Turntrans88.15.2178.900000115L644 L645 N646 R650L644-G648 PolarHBondContact O-N 3.4Å; L645-G648 PolarHBondContact O-N 3.39Å; L645-G648 VanDerWaalsContact O-N 3.15Å; N646-G648 PolarHBondContact O-N 3.46Å; G648-R650 PolarHBondContact O-N 3.27Å
649Y60.4Low56.6Low129 Ų12981 Ų8151%0.50651%0.508SS..  trans-72.9127.6177.6-72-88.6000111.1L644 M647 I651L644-Y649 HydrophobicContact CD2-CD2 3.97Å; L644-Y649 HydrophobicContact CD2-CE2 4.42Å; L644-Y649 HydrophobicContact CD2-CG 4.29Å; L644-Y649 WeakPolarHBondContact O-CB 3.28Å; L644-Y649 PolarHBondContact O-N 3.18Å; M647-Y649 HydrophobicContact CB-CD2 3.81Å; M647-Y649 HydrophobicContact CB-CE2 4.03Å; M647-Y649 HydrophobicContact CE-CE2 4.38Å; Y649-I651 PolarHBondContact O-N 3.33Å
650R51.8Low54.1Low229 Ų22982.1 Ų82.186%0.86453%0.53SS*.  trans-80.6112.2168.3-67.3-176.8-178.2174.12.1109.2G648G648-R650 PolarHBondContact O-N 3.27Å
651I53.5Low51.5Low41 Ų4182.1 Ų82.121%0.2155%0.545CS..  trans-91.2118.7175.4-56.2174000108.1E641 L644 L645 Y649 G653 L654E641-I651 HydrophobicContact CB-CD1 4.27Å; E641-I651 HydrophobicContact CG-CD1 3.51Å; L644-I651 HydrophobicContact CB-CD1 3.86Å; L644-I651 HydrophobicContact CB-CG1 4.49Å; L644-I651 HydrophobicContact CD1-CD1 4.14Å; L645-I651 HydrophobicContact CG-CD1 4.28Å; Y649-I651 PolarHBondContact O-N 3.33Å; I651-G653 PolarHBondContact O-N 3.3Å; I651-L654 HydrophobicContact CB-CD1 3.68Å; I651-L654 HydrophobicContact CD1-CD1 4.01Å; I651-L654 HydrophobicContact CG1-CD1 4.34Å; I651-L654 HydrophobicContact CG2-CD1 4.03Å; I651-L654 PolarHBondContact O-N 3.23Å; I651-L654 VanDerWaalsContact O-N 3.14Å
652T40.2Very low48.8Very low142 Ų14284.7 Ų84.787%0.87157%0.569SS**THydrogen-bonded Turntrans-60.9120.2177.246.10000109.6
653G47.8Very low46.3Very low81 Ų8190.9 Ų90.984%0.83560%0.602SS**THydrogen-bonded Turntrans116.3-16.6-172.600000114.9I651I651-G653 PolarHBondContact O-N 3.3Å
654L46.4Very low44Very low37 Ų3793.5 Ų93.519%0.19462%0.618CS.*THydrogen-bonded Turntrans-100.7-36.7178-79.1159.9000114R633 E641 L645 I651 S656R633-L654 HydrophobicContact CB-CD2 4.45Å; E641-L654 HydrophobicContact CG-CD1 3.71Å; E641-L654 WeakPolarHBondContact OE1-CD1 3.09Å; E641-L654 WeakPolarHBondContact OE1-CG 3.4Å; L645-L654 HydrophobicContact CD1-CD1 3.95Å; L645-L654 HydrophobicContact CD2-CD1 4.1Å; L645-L654 HydrophobicContact CG-CD1 4.25Å; I651-L654 HydrophobicContact CB-CD1 3.68Å; I651-L654 HydrophobicContact CD1-CD1 4.01Å; I651-L654 HydrophobicContact CG1-CD1 4.34Å; I651-L654 HydrophobicContact CG2-CD1 4.03Å; I651-L654 PolarHBondContact O-N 3.23Å; I651-L654 VanDerWaalsContact O-N 3.14Å; L654-S656 PolarHBondContact O-N 3.44Å
655S36.3Very low41.6Very low74 Ų7499.7 Ų99.752%0.51765%0.645SS.*SBendtrans-84.7106.3174.748.60000110.4
656S32.4Very low39.2Very low93 Ų93106 Ų10665%0.6568%0.679SS**  trans37.9119.9167.161.90000118.4L654 G658L654-S656 PolarHBondContact O-N 3.44Å; S656-G658 PolarHBondContact O-N 3.3Å
657G27.3Very low37.3Very low93 Ų93109.9 Ų109.996%0.95971%0.709SS**  trans-53.6113.4155.800000110.2
658G24.7Very low35.2Very low66 Ų66111.2 Ų111.268%0.6873%0.727SS**  trans-173.3112.5178.200000107.6S656 G660S656-G658 PolarHBondContact O-N 3.3Å; G658-G660 PolarHBondContact O-N 3.18Å
659A24.1Very low33.5Very low110 Ų110117.2 Ų117.291%0.90974%0.739SS**  trans-59.5128.5-178.600000111.5
660G24.7Very low32Very low79 Ų79114.9 Ų114.981%0.81475%0.754SS**  trans85.2105.8156.700000116.5G658G658-G660 PolarHBondContact O-N 3.18Å
661A27.5Very low30.9Very low106 Ų106110 Ų11088%0.87674%0.741SS**  trans-170137.6130.200000109.5
662S23.7Very low29.6Very low110 Ų110114.3 Ų114.377%0.76977%0.769SS**  trans-68.3162.9-178.3460000114.1
663D25.6Very low28.9Very low145 Ų145116.3 Ų116.378%0.77577%0.768SS**  trans-25.3136.7160.3-54.8-45.7000114.5
664D26.7Very low28Very low153 Ų153115.5 Ų115.582%0.81875%0.749SS**  trans-172.9127.8134.1-89.1-26.4000113.4
665E25.2Very low27.1Very low184 Ų184124.7 Ų124.786%0.8678%0.781SS**  trans64.2129.8142.1-58.7-163.8157.200124.5
666D24.9Very low26.8Very low169 Ų169127.4 Ų127.490%0.90480%0.797SS**  trans-51.5136.2170.7-72.1-53000114
667S28.9Very low26.9Very low116 Ų116125.6 Ų125.681%0.81178%0.784SS**  trans-133.7110.7150.648.30000109.4E669S667-E669 PolarHBondContact O-N 3Å
668S24.9Very low26.8Very low118 Ų118127.2 Ų127.283%0.82578%0.776SS**  trans-80.6101.7172.654.70000109.7
669E27Very low26.9Very low187 Ų187130.4 Ų130.487%0.87478%0.781SS**  trans-126.9141.1160.3-73.6-159.6158.600110.6S667 Q671S667-E669 PolarHBondContact O-N 3Å; E669-Q671 PolarHBondContact O-N 2.81Å
670G28.8Very low27.1Very low79 Ų79131.6 Ų131.681%0.81477%0.773SS**  trans-58118.6-157.800000115.4V672G670-V672 PolarHBondContact O-N 3.12Å
671Q27.6Very low27.2Very low128 Ų128134.6 Ų134.660%0.59877%0.771SS**  trans-68.6116.2168.5-84.2175.3-21.100110.8E669 Q673E669-Q671 PolarHBondContact O-N 2.81Å; Q671-Q673 PolarHBondContact O-N 3.23Å
672V27.4Very low27.2Very low131 Ų131136.4 Ų136.479%0.79476%0.764SS**  trans-70.2105.9160.5179.20000107.5G670 C674G670-V672 PolarHBondContact O-N 3.12Å; V672-C674 PolarHBondContact O-N 3.32Å; V672-C674 VanDerWaalsContact O-N 3.08Å
673Q24.2Very low27.5Very low184 Ų184138.2 Ų138.286%0.8676%0.764SS**  trans-67.4104174.9-85.3-179.1-14.200110.4Q671Q671-Q673 PolarHBondContact O-N 3.23Å
674C30.4Very low27.6Very low64 Ų64137.7 Ų137.743%0.43276%0.763SS.*PPolyproline II helixtrans-80.2130.6163.4-64.30000109.2I600 V672I600-C674 HydrophobicContact CD1-CB 4.39Å; V672-C674 PolarHBondContact O-N 3.32Å; V672-C674 VanDerWaalsContact O-N 3.08Å
675R26.1Very low27.7Very low230 Ų230136.5 Ų136.587%0.86876%0.759SS**PPolyproline II helixtrans-70.1137.9168.8-70-175.6177.3-179.20.5108.3S677R675-S677 PolarHBondContact O-N 3.21Å
676P30.5Very low27.9Very low131 Ų131132.6 Ų132.685%0.85175%0.751SS**PPolyproline II helixtrans-53135.2174.7-23.131.7000111.5
677S33.7Very low28.1Very low54 Ų54129.3 Ų129.338%0.37874%0.737SS.*  trans-610-169.453.10000117.4R136 K138 R675R136-S677 VanDerWaalsContact CZ-OXT 3.32Å; R136-S677 PolarHBondContact NH1-O 3.2Å; R136-S677 PolarHBondContact NH1-OXT 2.94Å; K138-S677 PolarHBondContact NZ-OXT 2.66Å; R675-S677 PolarHBondContact O-N 3.21Å

Retrieved 677 of 677 residues in 3752.2 ms (Link to these results)

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