A0A087Y3A1_POEFO Loading...

ADP-ribosylation factor-like protein 3

AlphaFold DB , UniProt , Accession A0A087Y3A1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 182 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
1Q47.6Very low52.9Low250 Ų250134.5 Ų134.5100%1.16867%0.665SS**  0108.70-65.7-164.6-6.800107.2
2G63.7Low52.8Low44 Ų44130.4 Ų130.445%0.45466%0.66SS.*  trans-123169.4-158.800000114.1L4 S5G2-L4 PolarHBondContact O-N 2.91Å; G2-S5 PolarHBondContact O-N 2.86Å; G2-S5 PolarHBondContact O-OG 2.89Å
3L55.6Low53Low133 Ų133129.5 Ų129.570%0.69667%0.665SS**Hα-helixtrans-42-31.6179.1-157.979.3000114.4S5 I6 L7L3-S5 PolarHBondContact O-N 3.42Å; L3-I6 PolarHBondContact O-N 2.77Å; L3-L7 HydrophobicContact CD2-CD1 4.39Å; L3-L7 HydrophobicContact CG-CD1 4.38Å; L3-L7 WeakPolarHBondContact O-CG 3.4Å; L3-L7 PolarHBondContact O-N 2.64Å
4L51.8Low53.3Low133 Ų133128.9 Ų128.970%0.69667%0.674SS**Hα-helixtrans-62.8-31.6175.9-72168.2000114.6G2 R8G2-L4 PolarHBondContact O-N 2.91Å; L4-R8 WeakPolarHBondContact O-CB 3.44Å; L4-R8 PolarHBondContact O-N 3Å
5S56Low54.1Low57 Ų57124.3 Ų124.340%0.39965%0.65SS.*Hα-helixtrans-76.4-29.6174.963.50000112G2 L3 K9G2-S5 PolarHBondContact O-N 2.86Å; G2-S5 PolarHBondContact O-OG 2.89Å; L3-S5 PolarHBondContact O-N 3.42Å; S5-K9 WeakPolarHBondContact O-CG 3.33Å; S5-K9 PolarHBondContact O-N 3.18Å; S5-K9 VanDerWaalsContact O-N 3.13Å
6I57.3Low55.9Low95 Ų95119.5 Ų119.549%0.48762%0.623SS.*Hα-helixtrans-72-43.1172.6-62.8165.8000109.6L3 R8 K9 L10L3-I6 PolarHBondContact O-N 2.77Å; I6-R8 VanDerWaalsContact C-N 3.33Å; I6-R8 PolarHBondContact O-N 3.24Å; I6-K9 CarbonylContact O-C 3.55Å; I6-K9 WeakPolarHBondContact O-CA 3.48Å; I6-K9 WeakPolarHBondContact O-CB 3.49Å; I6-K9 PolarHBondContact O-N 3.38Å; I6-L10 HydrophobicContact CG2-CD1 3.91Å; I6-L10 HydrophobicContact CG2-CG 4.41Å; I6-L10 WeakPolarHBondContact O-CB 3.39Å; I6-L10 WeakPolarHBondContact O-CG 3.49Å; I6-L10 PolarHBondContact O-N 3.36Å
7L54.8Low57.9Low88 Ų88118.9 Ų118.946%0.46162%0.617SS.*Hα-helixtrans-65.1-32.3174.2-70.8169.2000112.9L3 L10 K11L3-L7 HydrophobicContact CD2-CD1 4.39Å; L3-L7 HydrophobicContact CG-CD1 4.38Å; L3-L7 WeakPolarHBondContact O-CG 3.4Å; L3-L7 PolarHBondContact O-N 2.64Å; L7-L10 HydrophobicContact CD2-CD1 4.36Å; L7-L10 PolarHBondContact O-N 3.42Å; L7-K11 PolarHBondContact O-N 3.42Å
8R51.4Low59.9Low199 Ų199112.4 Ų112.475%0.75158%0.583SS**Hα-helixtrans-69.9-29.4169.7-87.5-175.2-175132.21.1113.5L4 I6L4-R8 WeakPolarHBondContact O-CB 3.44Å; L4-R8 PolarHBondContact O-N 3Å; I6-R8 VanDerWaalsContact C-N 3.33Å; I6-R8 PolarHBondContact O-N 3.24Å
9K50.6Low61.8Low185 Ų185108.4 Ų108.480%0.80456%0.559SS**Hα-helixtrans-79-25171.5-75.9-179.1175.4-172.90112.8S5 I6S5-K9 WeakPolarHBondContact O-CG 3.33Å; S5-K9 PolarHBondContact O-N 3.18Å; S5-K9 VanDerWaalsContact O-N 3.13Å; I6-K9 CarbonylContact O-C 3.55Å; I6-K9 WeakPolarHBondContact O-CA 3.48Å; I6-K9 WeakPolarHBondContact O-CB 3.49Å; I6-K9 PolarHBondContact O-N 3.38Å
10L49.8Very low63.6Low130 Ų130103 Ų10368%0.68153%0.531SS*.Hα-helixtrans-85.6-17.5174-71.3168.2000113.2I6 L7 S12I6-L10 HydrophobicContact CG2-CD1 3.91Å; I6-L10 HydrophobicContact CG2-CG 4.41Å; I6-L10 WeakPolarHBondContact O-CB 3.39Å; I6-L10 WeakPolarHBondContact O-CG 3.49Å; I6-L10 PolarHBondContact O-N 3.36Å; L7-L10 HydrophobicContact CD2-CD1 4.36Å; L7-L10 PolarHBondContact O-N 3.42Å; L10-S12 VanDerWaalsContact C-N 3.34Å; L10-S12 PolarHBondContact O-N 3.29Å
11K43.3Very low65.3Low165 Ų16598 Ų9872%0.71751%0.506SS*.SBendtrans-67.4101.3158.6-78.6-170.9177-169.60106.2L7 T13L7-K11 PolarHBondContact O-N 3.42Å; K11-T13 PolarHBondContact O-N 3.3Å
12S52.4Low67.7Low86 Ų8686.2 Ų86.260%0.60145%0.451SS*.  trans-39.3127.4162.3-169.20000107.3L10L10-S12 VanDerWaalsContact C-N 3.34Å; L10-S12 PolarHBondContact O-N 3.29Å
13T54.3Low69.4Low118 Ų11884.1 Ų84.172%0.72443%0.429SS*.  trans-44122.9163.333.90000106.4K11 D15K11-T13 PolarHBondContact O-N 3.3Å; T13-D15 PolarHBondContact O-N 2.83Å; T13-D15 VanDerWaalsContact O-N 3.1Å
14P57.9Low71.4Confident122 Ų12277.8 Ų77.879%0.79240%0.396SS*.PPolyproline II helixtrans-52.7127.1-177.218.6-29000107.4Q16P14-Q16 PolarHBondContact O-N 3.39Å; P14-Q16 VanDerWaalsContact O-N 3.09Å
15D65.7Low73.7Confident59 Ų5971.8 Ų71.832%0.31637%0.365SS..PPolyproline II helixtrans-50.6124.6-176.6-66.2-32.5000107.6T13 E17 Q57 G60 K62T13-D15 PolarHBondContact O-N 2.83Å; T13-D15 VanDerWaalsContact O-N 3.1Å; D15-E17 PolarHBondContact O-N 3.07Å; D15-Q57 PolarHBondContact OD2-NE2 3.25Å; D15-Q57 PolarHBondContact OD2-OE1 3.31Å; D15-G60 WeakPolarHBondContact CA-O 3.42Å; D15-K62 HydrophobicContact CB-CB 4.05Å
16Q81.6Confident75.6Confident48 Ų4871.5 Ų71.522%0.22436%0.359CS..EExtended strand (participates in β ladder)trans-66.8116.4-179173.6171.4-46.700107.5P14 G60 F61 K62P14-Q16 PolarHBondContact O-N 3.39Å; P14-Q16 VanDerWaalsContact O-N 3.09Å; Q16-G60 PolarHBondContact N-O 3.11Å; Q16-F61 HydrophobicContact CB-CD1 3.65Å; Q16-F61 HydrophobicContact CB-CE1 3.82Å; Q16-F61 HydrophobicContact CG-CD1 3.89Å; Q16-F61 HydrophobicContact CG-CE1 3.88Å; Q16-F61 WeakPolarHBondContact O-CA 3.48Å; Q16-F61 WeakPolarHBondContact O-CD1 3.38Å; Q16-K62 PolarHBondContact O-N 3.13Å; Q16-K62 VanDerWaalsContact O-N 3.1Å
17E90.7Very high77.5Confident110 Ų11072.2 Ų72.251%0.51436%0.364SS..EExtended strand (participates in β ladder)trans-71.6134.8176.1-58.7-158.8154.600109.7D15 K62D15-E17 PolarHBondContact O-N 3.07Å; E17-K62 WeakPolarHBondContact CA-O 3.38Å; E17-K62 HydrophobicContact CG-CB 4.36Å; E17-K62 HydrophobicContact CG-CD 4.23Å; E17-K62 WeakPolarHBondContact OE1-CD 3.35Å; E17-K62 IonicContact OE1-NZ 3.81Å; E17-K62 PolarHBondContact OE1-NZ 3.42Å
18V93.8Very high79.5Confident1 Ų168.1 Ų68.11%0.00634%0.343CS..EExtended strand (participates in β ladder)trans-128.9122.1178.6-1780000108.1I20 F61 K62 L63 N64 D86 V177V18-I20 HydrophobicContact CG1-CG1 4.01Å; V18-F61 HydrophobicContact CG2-CB 4.28Å; V18-F61 HydrophobicContact CG2-CD1 3.56Å; V18-F61 HydrophobicContact CG2-CE1 4.31Å; V18-F61 HydrophobicContact CG2-CG 4.25Å; V18-K62 PolarHBondContact N-O 2.99Å; V18-L63 HydrophobicContact CB-CD2 3.83Å; V18-L63 HydrophobicContact CG1-CD2 4.37Å; V18-L63 HydrophobicContact CG2-CD2 4.07Å; V18-N64 PolarHBondContact O-N 2.86Å; V18-D86 HydrophobicContact CG1-CB 3.85Å; V18-V177 HydrophobicContact CG1-CG2 3.69Å; V18-V177 HydrophobicContact CG2-CG1 3.86Å; V18-V177 HydrophobicContact CG2-CG2 4.25Å
19R96.4Very high81.7Confident36 Ų3659.2 Ų59.214%0.13631%0.313CS..EExtended strand (participates in β ladder)trans-87.9110.1174.4-177.2163.2179.3-73.9-2.9110.2Y81 E83 N84 T85 D86 V87R19-Y81 PolarHBondContact NH1-O 3.05Å; R19-Y81 PolarHBondContact NH2-O 2.85Å; R19-E83 PolarHBondContact NH1-O 2.86Å; R19-N84 WeakPolarHBondContact CB-O 3.46Å; R19-N84 VanDerWaalsContact CD-O 3.25Å; R19-N84 WeakPolarHBondContact CD-O 3.5Å; R19-T85 PolarHBondContact NH1-OG1 3.06Å; R19-D86 PolarHBondContact N-OD2 3.42Å; R19-D86 WeakPolarHBondContact O-CB 3.39Å; R19-D86 PolarHBondContact O-N 3.1Å; R19-V87 PolarHBondContact O-N 3.04Å
20I97.9Very high84Confident0 Ų051 Ų510%028%0.277CS..EExtended strand (participates in β ladder)trans-102.1125.4177.4-60.3-178.2000109V18 L63 N64 V65 W66 V87 I89 M170 V173V18-I20 HydrophobicContact CG1-CG1 4.01Å; I20-L63 HydrophobicContact CD1-CB 4.03Å; I20-L63 HydrophobicContact CD1-CD1 4.14Å; I20-L63 HydrophobicContact CD1-CD2 4.16Å; I20-L63 HydrophobicContact CD1-CG 4.34Å; I20-N64 PolarHBondContact N-O 3.45Å; I20-V65 HydrophobicContact CB-CG1 4.47Å; I20-V65 HydrophobicContact CB-CG2 4.22Å; I20-V65 HydrophobicContact CD1-CG2 4.3Å; I20-V65 HydrophobicContact CG2-CG1 4.22Å; I20-V65 CarbonylContact O-C 3.58Å; I20-V65 WeakPolarHBondContact O-CA 3.42Å; I20-W66 PolarHBondContact O-N 3.21Å; I20-V87 WeakPolarHBondContact CA-O 3.4Å; I20-I89 HydrophobicContact CD1-CD1 4.41Å; I20-I89 HydrophobicContact CG2-CB 4.33Å; I20-I89 HydrophobicContact CG2-CD1 3.57Å; I20-I89 HydrophobicContact CG2-CG1 3.69Å; I20-M170 HydrophobicContact CD1-CE 3.95Å; I20-V173 HydrophobicContact CD1-CG1 3.94Å
21L98.5Very high86.2Confident0 Ų045.9 Ų45.90%025%0.251CS..EExtended strand (participates in β ladder)trans-97.3122.7170.4-174.860.7000109.1L23 W66 I68 F82 T85 V87 L88 I89L21-L23 HydrophobicContact CD1-CD2 4.29Å; L21-L23 HydrophobicContact CD1-CG 4.46Å; L21-L23 HydrophobicContact CD2-CD1 3.84Å; L21-L23 HydrophobicContact CD2-CG 4.26Å; L21-L23 HydrophobicContact CG-CD1 4.09Å; L21-L23 HydrophobicContact CG-CD2 4.3Å; L21-L23 HydrophobicContact CG-CG 3.93Å; L21-W66 HydrophobicContact CD1-CB 4.06Å; L21-I68 HydrophobicContact CD1-CD1 4.35Å; L21-I68 HydrophobicContact CD1-CG1 3.84Å; L21-F82 HydrophobicContact CD2-CD1 3.74Å; L21-F82 HydrophobicContact CD2-CE1 4.23Å; L21-T85 HydrophobicContact CB-CG2 3.63Å; L21-V87 PolarHBondContact N-O 3.42Å; L21-L88 HydrophobicContact CB-CD1 4.4Å; L21-L88 HydrophobicContact CD2-CD1 4.44Å; L21-L88 HydrophobicContact CG-CD1 4.39Å; L21-I89 PolarHBondContact O-N 3.37Å
22L98.6Very high88.8Confident1 Ų139.3 Ų39.31%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-109.5107.8-176.8179.865.8000110.4K30 L33 L34 V65 W66 D67 I68 I89 V91L22-K30 HydrophobicContact CD2-CB 3.92Å; L22-K30 WeakPolarHBondContact CD2-O 3.47Å; L22-K30 HydrophobicContact CG-CB 4.04Å; L22-K30 HydrophobicContact CG-CD 4.37Å; L22-K30 HydrophobicContact CG-CG 4.26Å; L22-L33 HydrophobicContact CD1-CD2 4.02Å; L22-L34 HydrophobicContact CD2-CB 4.23Å; L22-V65 HydrophobicContact CB-CG1 3.92Å; L22-V65 HydrophobicContact CD2-CG1 4.17Å; L22-W66 WeakPolarHBondContact CB-O 3.25Å; L22-W66 PolarHBondContact N-O 3.48Å; L22-D67 HydrophobicContact CD2-CB 4.09Å; L22-I68 PolarHBondContact O-N 3.02Å; L22-I89 WeakPolarHBondContact CA-O 3.34Å; L22-I89 HydrophobicContact CD1-CB 3.74Å; L22-I89 HydrophobicContact CD1-CG2 3.47Å; L22-I89 VanDerWaalsContact CD1-CG2 3.47Å; L22-V91 HydrophobicContact CD1-CG2 3.54Å
23L98.7Very high91Very high0 Ų035.3 Ų35.30%020%0.197CC..EExtended strand (participates in β ladder)trans-126.3175.2-175.3-60.2-178.3000112.4L21 K30 I68 W78 F82 L88 I89 Y90 V91 L110L21-L23 HydrophobicContact CD1-CD2 4.29Å; L21-L23 HydrophobicContact CD1-CG 4.46Å; L21-L23 HydrophobicContact CD2-CD1 3.84Å; L21-L23 HydrophobicContact CD2-CG 4.26Å; L21-L23 HydrophobicContact CG-CD1 4.09Å; L21-L23 HydrophobicContact CG-CD2 4.3Å; L21-L23 HydrophobicContact CG-CG 3.93Å; L23-K30 WeakPolarHBondContact O-CD 3.2Å; L23-I68 HydrophobicContact CD2-CB 3.67Å; L23-I68 HydrophobicContact CD2-CG1 3.72Å; L23-I68 HydrophobicContact CD2-CG2 4.49Å; L23-W78 HydrophobicContact CD1-CB 4.47Å; L23-W78 HydrophobicContact CD1-CD2 4.19Å; L23-W78 HydrophobicContact CD1-CE3 4.14Å; L23-W78 HydrophobicContact CD1-CG 4.4Å; L23-W78 HydrophobicContact CD2-CB 4.49Å; L23-W78 HydrophobicContact CD2-CD2 3.92Å; L23-W78 HydrophobicContact CD2-CG 3.89Å; L23-F82 HydrophobicContact CD1-CE1 4.14Å; L23-L88 HydrophobicContact CB-CD1 4.26Å; L23-L88 HydrophobicContact CD1-CD1 3.93Å; L23-L88 HydrophobicContact CG-CD1 4.11Å; L23-I89 PolarHBondContact N-O 2.94Å; L23-Y90 HydrophobicContact CB-CD2 4.15Å; L23-Y90 WeakPolarHBondContact O-CA 3.46Å; L23-V91 PolarHBondContact O-N 2.92Å; L23-L110 HydrophobicContact CB-CD1 4.28Å; L23-L110 HydrophobicContact CD1-CD1 3.76Å; L23-L110 HydrophobicContact CD1-CD2 3.67Å; L23-L110 HydrophobicContact CD1-CG 4.4Å
24G98.5Very high93Very high0 Ų029.8 Ų29.80%016%0.163CC..  trans134.4167.4-173.500000111.4K30 G70 W78G24-K30 PolarHBondContact O-NZ 3.15Å; G24-G70 WeakPolarHBondContact O-CA 3.44Å; G24-W78 WeakPolarHBondContact O-CZ2 3.48Å
25L98.4Very high94.7Very high8 Ų826 Ų264%0.04213%0.134CC..  trans-62.4161.7-177.7-51.1-168.2000112.4G28 K30 R99 E102 E106L25-G28 PolarHBondContact O-N 2.82Å; L25-K30 PolarHBondContact O-NZ 3.4Å; L25-R99 HydrophobicContact CD1-CB 3.98Å; L25-E102 HydrophobicContact CD1-CB 4.18Å; L25-E102 HydrophobicContact CD1-CG 3.94Å; L25-E102 HydrophobicContact CD2-CG 4.32Å; L25-E106 HydrophobicContact CD2-CB 4.37Å; L25-E106 HydrophobicContact CD2-CG 3.97Å
26D97Very high96.1Very high51 Ų5126 Ų2627%0.27313%0.132SC..THydrogen-bonded Turntrans-55.3147.9164.755.6-84000111.1G28 G70 Q71 R75 R99D26-G28 PolarHBondContact O-N 2.87Å; D26-G28 VanDerWaalsContact O-N 3.1Å; D26-G70 PolarHBondContact N-O 3.46Å; D26-Q71 HydrophobicContact CB-CG 3.93Å; D26-R75 IonicContact OD1-NH2 3.64Å; D26-R75 PolarHBondContact OD1-NH2 3.38Å; D26-R99 PolarHBondContact O-NH1 3.27Å; D26-R99 PolarHBondContact O-NH2 2.75Å; D26-R99 VanDerWaalsContact O-NH2 3.11Å; D26-R99 IonicContact OD1-NH1 2.65Å; D26-R99 IonicContact OD2-NH1 3.51Å; D26-R99 PolarHBondContact OD2-NH1 3Å
27N96.6Very high96.6Very high110 Ų11025.3 Ų25.359%0.58813%0.13SC*.THydrogen-bonded Turntrans62.85.8-173.6-160.937.4000115.6G29 K127N27-G29 PolarHBondContact O-N 3.06Å; N27-K127 WeakPolarHBondContact O-CE 3.46Å; N27-K127 PolarHBondContact O-NZ 3.09Å
28G97.3Very high96.6Very high2 Ų221.5 Ų21.52%0.02112%0.117CC..SBendtrans-64.2-18.9173.800000114.8L25 D26 V91 N126L25-G28 PolarHBondContact O-N 2.82Å; D26-G28 PolarHBondContact O-N 2.87Å; D26-G28 VanDerWaalsContact O-N 3.1Å; G28-V91 WeakPolarHBondContact O-CG1 3.25Å; G28-N126 PolarHBondContact O-ND2 3.33Å
29G97.8Very high96.5Very high12 Ų1227 Ų2712%0.12416%0.156CC..SBendtrans95.21918000000115.3N27 T32 L33N27-G29 PolarHBondContact O-N 3.06Å; G29-T32 WeakPolarHBondContact O-CB 3.37Å; G29-T32 PolarHBondContact O-N 3.1Å; G29-L33 WeakPolarHBondContact O-CB 3.32Å; G29-L33 PolarHBondContact O-N 3.33Å
30K98Very high96.3Very high11 Ų1128.8 Ų28.85%0.04817%0.165CC..Hα-helixtrans-56.3-53.2-179.9-61.1-174.4-60.4-73.90113.7L22 L23 G24 L25 T32 L33 L34 D67 I68 V91L22-K30 HydrophobicContact CD2-CB 3.92Å; L22-K30 WeakPolarHBondContact CD2-O 3.47Å; L22-K30 HydrophobicContact CG-CB 4.04Å; L22-K30 HydrophobicContact CG-CD 4.37Å; L22-K30 HydrophobicContact CG-CG 4.26Å; L23-K30 WeakPolarHBondContact O-CD 3.2Å; G24-K30 PolarHBondContact O-NZ 3.15Å; L25-K30 PolarHBondContact O-NZ 3.4Å; K30-T32 VanDerWaalsContact C-N 3.29Å; K30-T32 PolarHBondContact O-N 3.46Å; K30-L33 WeakPolarHBondContact O-CB 3.37Å; K30-L33 PolarHBondContact O-N 3.04Å; K30-L34 PolarHBondContact O-N 3.01Å; K30-D67 VanDerWaalsContact CB-OD1 3.28Å; K30-D67 WeakPolarHBondContact CB-OD1 3.42Å; K30-I68 WeakPolarHBondContact CE-O 3.33Å; K30-V91 HydrophobicContact CG-CB 3.92Å; K30-V91 HydrophobicContact CG-CG2 3.9Å
31T96.9Very high96.1Very high23 Ų2333.6 Ų33.614%0.14119%0.191CC..Hα-helixtrans-66-34.1179.9-48.70000111.9L34 K35 I45 T48 D67T31-L34 PolarHBondContact O-N 3.47Å; T31-K35 WeakPolarHBondContact O-CB 3.36Å; T31-K35 WeakPolarHBondContact O-CG 3.3Å; T31-K35 PolarHBondContact O-N 3.42Å; T31-I45 HydrophobicContact CG2-CG2 4.14Å; T31-T48 PolarHBondContact OG1-OG1 3.34Å; T31-D67 WeakPolarHBondContact CB-OD2 3.17Å; T31-D67 PolarHBondContact OG1-OD2 2.95Å
32T97.8Very high95.9Very high28 Ų2835.4 Ų35.417%0.17220%0.2CC..Hα-helixtrans-62.3-48.9172-440000110.9G29 K30 L34 K35 Q36 I42 I45 A160G29-T32 WeakPolarHBondContact O-CB 3.37Å; G29-T32 PolarHBondContact O-N 3.1Å; K30-T32 VanDerWaalsContact C-N 3.29Å; K30-T32 PolarHBondContact O-N 3.46Å; T32-L34 VanDerWaalsContact C-N 3.33Å; T32-L34 PolarHBondContact O-N 2.89Å; T32-K35 PolarHBondContact O-N 3.14Å; T32-Q36 WeakPolarHBondContact O-CB 3.5Å; T32-Q36 PolarHBondContact O-N 3.26Å; T32-I42 HydrophobicContact CG2-CB 4.21Å; T32-I42 HydrophobicContact CG2-CD1 4.39Å; T32-I42 HydrophobicContact CG2-CG2 4.14Å; T32-I45 HydrophobicContact CG2-CD1 3.8Å; T32-I45 WeakPolarHBondContact OG1-CD1 3.18Å; T32-A160 HydrophobicContact CG2-CB 3.89Å
33L97.7Very high95.4Very high1 Ų138.9 Ų38.91%0.00523%0.225CC..Hα-helixtrans-57.9-46176.6177.670.1000111.2L22 G29 K30 Q36 L37 I89 V91 F124 A160 I166L22-L33 HydrophobicContact CD1-CD2 4.02Å; G29-L33 WeakPolarHBondContact O-CB 3.32Å; G29-L33 PolarHBondContact O-N 3.33Å; K30-L33 WeakPolarHBondContact O-CB 3.37Å; K30-L33 PolarHBondContact O-N 3.04Å; L33-Q36 PolarHBondContact O-N 3.17Å; L33-L37 HydrophobicContact CG-CD1 4.34Å; L33-L37 WeakPolarHBondContact O-CG 3.49Å; L33-L37 PolarHBondContact O-N 3.23Å; L33-I89 HydrophobicContact CD2-CG2 4.37Å; L33-V91 HydrophobicContact CD2-CG2 3.76Å; L33-F124 HydrophobicContact CD1-CD2 4.29Å; L33-F124 HydrophobicContact CD1-CE2 4.06Å; L33-F124 HydrophobicContact CD1-CZ 4.43Å; L33-F124 HydrophobicContact CD2-CD2 3.48Å; L33-F124 VanDerWaalsContact CD2-CD2 3.48Å; L33-F124 HydrophobicContact CD2-CE2 3.76Å; L33-F124 HydrophobicContact CD2-CG 4.38Å; L33-F124 HydrophobicContact CG-CE2 4.49Å; L33-A160 HydrophobicContact CB-CB 4.08Å; L33-I166 HydrophobicContact CD1-CB 4.43Å; L33-I166 HydrophobicContact CD1-CD1 3.75Å; L33-I166 HydrophobicContact CD1-CG1 3.7Å; L33-I166 HydrophobicContact CD1-CG2 3.94Å
34L96.1Very high95Very high2 Ų246 Ų461%0.0126%0.258CS..Hα-helixtrans-60.5-46.8177.7176.358.7000111.9L22 K30 T31 T32 Q36 L37 A38 N52 K54 V65 D67L22-L34 HydrophobicContact CD2-CB 4.23Å; K30-L34 PolarHBondContact O-N 3.01Å; T31-L34 PolarHBondContact O-N 3.47Å; T32-L34 VanDerWaalsContact C-N 3.33Å; T32-L34 PolarHBondContact O-N 2.89Å; L34-Q36 VanDerWaalsContact C-N 3.34Å; L34-L37 PolarHBondContact O-N 3.23Å; L34-A38 WeakPolarHBondContact O-CB 3.36Å; L34-A38 PolarHBondContact O-N 3.46Å; L34-N52 HydrophobicContact CD2-CB 4.31Å; L34-K54 HydrophobicContact CD1-CB 4.09Å; L34-K54 HydrophobicContact CD1-CD 4.29Å; L34-K54 HydrophobicContact CD2-CB 4.45Å; L34-K54 HydrophobicContact CD2-CD 4.07Å; L34-K54 HydrophobicContact CD2-CG 4.22Å; L34-K54 HydrophobicContact CG-CD 4Å; L34-V65 HydrophobicContact CD1-CB 3.68Å; L34-V65 HydrophobicContact CD1-CG1 3.79Å; L34-V65 HydrophobicContact CD1-CG2 4.15Å; L34-D67 HydrophobicContact CD2-CB 3.6Å
35K95.5Very high94.6Very high44 Ų4448.9 Ų48.919%0.19127%0.273CS..Hα-helixtrans-64.8-39.3177.7-77.3-170.1167.7-164.20111.9T31 T32 L37 A38 S39 E40 D41 I42 H44 I45T31-K35 WeakPolarHBondContact O-CB 3.36Å; T31-K35 WeakPolarHBondContact O-CG 3.3Å; T31-K35 PolarHBondContact O-N 3.42Å; T32-K35 PolarHBondContact O-N 3.14Å; K35-L37 PolarHBondContact O-N 3.49Å; K35-A38 CarbonylContact O-C 3.46Å; K35-A38 PolarHBondContact O-N 3.09Å; K35-A38 VanDerWaalsContact O-N 3.12Å; K35-S39 PolarHBondContact O-N 3.18Å; K35-E40 HydrophobicContact CB-CB 4.09Å; K35-E40 HydrophobicContact CG-CB 4.26Å; K35-E40 PolarHBondContact O-N 2.9Å; K35-D41 VanDerWaalsContact CD-O 3.25Å; K35-D41 WeakPolarHBondContact CD-O 3.43Å; K35-D41 PolarHBondContact NZ-O 2.8Å; K35-I42 HydrophobicContact CB-CG2 3.73Å; K35-I42 HydrophobicContact CD-CG2 4.48Å; K35-H44 PolarHBondContact NZ-O 3.2Å; K35-I45 HydrophobicContact CD-CD1 4.36Å; K35-I45 HydrophobicContact CD-CG1 4.26Å
36Q94.9Very high94.1Very high58 Ų5854 Ų5427%0.27131%0.305SS..Hα-helixtrans-62.4-42.5176-165.767.16.600111.5T32 L33 L34 A38 S39 I166T32-Q36 WeakPolarHBondContact O-CB 3.5Å; T32-Q36 PolarHBondContact O-N 3.26Å; L33-Q36 PolarHBondContact O-N 3.17Å; L34-Q36 VanDerWaalsContact C-N 3.34Å; Q36-A38 VanDerWaalsContact C-N 3.27Å; Q36-A38 PolarHBondContact O-N 3.38Å; Q36-S39 PolarHBondContact O-N 3.03Å; Q36-I166 HydrophobicContact CB-CD1 3.98Å; Q36-I166 HydrophobicContact CG-CD1 3.49Å; Q36-I166 VanDerWaalsContact CG-CD1 3.49Å
37L91.8Very high93.7Very high33 Ų3356.4 Ų56.417%0.17332%0.323CS..Hα-helixtrans-62.6-34.3173.3-73.9171000112.8L33 L34 K35 S39 V56 I166 M170L33-L37 HydrophobicContact CG-CD1 4.34Å; L33-L37 WeakPolarHBondContact O-CG 3.49Å; L33-L37 PolarHBondContact O-N 3.23Å; L34-L37 PolarHBondContact O-N 3.23Å; K35-L37 PolarHBondContact O-N 3.49Å; L37-S39 VanDerWaalsContact C-N 3.29Å; L37-V56 HydrophobicContact CB-CG2 4.49Å; L37-V56 VanDerWaalsContact O-CG1 3.25Å; L37-V56 WeakPolarHBondContact O-CG1 3.34Å; L37-I166 HydrophobicContact CD2-CG2 3.35Å; L37-I166 HydrophobicContact CG-CG2 3.97Å; L37-M170 HydrophobicContact CD1-SD 4.13Å; L37-M170 HydrophobicContact CD2-CG 3.51Å; L37-M170 HydrophobicContact CD2-SD 4.06Å
38A91.1Very high93.2Very high30 Ų3052.2 Ų52.225%0.24830%0.301CS..THydrogen-bonded Turntrans-84.81.3178.300000113.6L34 K35 Q36 E40 K54 V56L34-A38 WeakPolarHBondContact O-CB 3.36Å; L34-A38 PolarHBondContact O-N 3.46Å; K35-A38 CarbonylContact O-C 3.46Å; K35-A38 PolarHBondContact O-N 3.09Å; K35-A38 VanDerWaalsContact O-N 3.12Å; Q36-A38 VanDerWaalsContact C-N 3.27Å; Q36-A38 PolarHBondContact O-N 3.38Å; A38-E40 HydrophobicContact CB-CG 3.85Å; A38-E40 PolarHBondContact O-N 3.44Å; A38-K54 HydrophobicContact CB-CD 4.21Å; A38-V56 HydrophobicContact CB-CG2 4.12Å
39S91.5Very high92.6Very high117 Ų11760.3 Ų60.382%0.81834%0.338SS*.THydrogen-bonded Turntrans54.139.7-172.7-57.60000113K35 Q36 L37K35-S39 PolarHBondContact O-N 3.18Å; Q36-S39 PolarHBondContact O-N 3.03Å; L37-S39 VanDerWaalsContact C-N 3.29Å
40E92.4Very high92.1Very high73 Ų7361.4 Ų61.434%0.34135%0.35SS..  trans-102.3161.8-179.6-70-179.9-168.900112.7K35 A38 I42 K54K35-E40 HydrophobicContact CB-CB 4.09Å; K35-E40 HydrophobicContact CG-CB 4.26Å; K35-E40 PolarHBondContact O-N 2.9Å; A38-E40 HydrophobicContact CB-CG 3.85Å; A38-E40 PolarHBondContact O-N 3.44Å; E40-I42 PolarHBondContact O-N 3.38Å; E40-K54 WeakPolarHBondContact OE1-CE 3.46Å; E40-K54 IonicContact OE1-NZ 3.52Å; E40-K54 PolarHBondContact OE1-NZ 3.19Å; E40-K54 WeakPolarHBondContact OE2-CE 3.39Å; E40-K54 IonicContact OE2-NZ 2.87Å; E40-K54 PolarHBondContact OE2-NZ 2.96Å
41D92.3Very high91.7Very high101 Ų10165.4 Ų65.454%0.5437%0.368SS..  trans-66.4121.2177.3176.234.7000112.8K35 S43K35-D41 VanDerWaalsContact CD-O 3.25Å; K35-D41 WeakPolarHBondContact CD-O 3.43Å; K35-D41 PolarHBondContact NZ-O 2.8Å; D41-S43 VanDerWaalsContact CG-OG 3.24Å; D41-S43 VanDerWaalsContact OD1-CB 3.23Å; D41-S43 WeakPolarHBondContact OD1-CB 3.38Å; D41-S43 PolarHBondContact OD1-N 3.26Å; D41-S43 PolarHBondContact OD1-OG 3.47Å; D41-S43 PolarHBondContact OD2-OG 3.03Å
42I94.1Very high91.2Very high38 Ų3867.4 Ų67.420%0.19538%0.377CS..  trans-97.3-0.5179.662.4171.1000113.8T32 K35 E40 H44 I45 L161T32-I42 HydrophobicContact CG2-CB 4.21Å; T32-I42 HydrophobicContact CG2-CD1 4.39Å; T32-I42 HydrophobicContact CG2-CG2 4.14Å; K35-I42 HydrophobicContact CB-CG2 3.73Å; K35-I42 HydrophobicContact CD-CG2 4.48Å; E40-I42 PolarHBondContact O-N 3.38Å; I42-H44 VanDerWaalsContact C-N 3.29Å; I42-H44 PolarHBondContact O-N 3.32Å; I42-I45 HydrophobicContact CB-CD1 4.12Å; I42-I45 HydrophobicContact CG2-CD1 4.5Å; I42-I45 WeakPolarHBondContact O-CD1 3.27Å; I42-L161 HydrophobicContact CD1-CD1 3.99Å; I42-L161 WeakPolarHBondContact CD1-O 3.47Å
43S89.8Confident90.9Very high74 Ų7469.8 Ų69.852%0.51739%0.388SS..SBendtrans-62.1-35.3-17671.10000113.3D41D41-S43 VanDerWaalsContact CG-OG 3.24Å; D41-S43 VanDerWaalsContact OD1-CB 3.23Å; D41-S43 WeakPolarHBondContact OD1-CB 3.38Å; D41-S43 PolarHBondContact OD1-N 3.26Å; D41-S43 PolarHBondContact OD1-OG 3.47Å; D41-S43 PolarHBondContact OD2-OG 3.03Å
44H89.3Confident90.7Very high151 Ų15172.6 Ų72.670%0.69940%0.4SS*.  trans-120106.7179.9-62.7-66.3000110.8K35 I42K35-H44 PolarHBondContact NZ-O 3.2Å; I42-H44 VanDerWaalsContact C-N 3.29Å; I42-H44 PolarHBondContact O-N 3.32Å
45I89.3Confident90.5Very high60 Ų6076 Ų7631%0.30842%0.424SS..  trans-131.4126.3176.9-59.7176.7000108.6T31 T32 K35 I42T31-I45 HydrophobicContact CG2-CG2 4.14Å; T32-I45 HydrophobicContact CG2-CD1 3.8Å; T32-I45 WeakPolarHBondContact OG1-CD1 3.18Å; K35-I45 HydrophobicContact CD-CD1 4.36Å; K35-I45 HydrophobicContact CD-CG1 4.26Å; I42-I45 HydrophobicContact CB-CD1 4.12Å; I42-I45 HydrophobicContact CG2-CD1 4.5Å; I42-I45 WeakPolarHBondContact O-CD1 3.27Å
46T88.3Confident90.2Very high116 Ų11674.7 Ų74.771%0.71242%0.42SS*.  trans-111.3156.3175.755.30000110.1T48T46-T48 PolarHBondContact O-N 2.89Å
47P89.9Confident89.8Confident101 Ų10177.4 Ų77.466%0.65643%0.433SS*.  trans-57.7124.1177.3-2635000112.4Q49P47-Q49 PolarHBondContact O-N 2.95Å
48T86.4Confident89.3Confident22 Ų2276.9 Ų76.914%0.13543%0.432CS..  trans-65.3121.8176.4-50.20000110.4T31 T46 Q71T31-T48 PolarHBondContact OG1-OG1 3.34Å; T46-T48 PolarHBondContact O-N 2.89Å; T48-Q71 PolarHBondContact O-NE2 3.05Å
49Q82.6Confident88.7Confident171 Ų17180.7 Ų80.780%0.79944%0.444SS*.SBendtrans-89.6-21.1177.9-63-173.130.300113.1P47P47-Q49 PolarHBondContact O-N 2.95Å
50G88Confident88.1Confident36 Ų3677.3 Ų77.337%0.37143%0.428SS..SBendtrans-133.7-108.5178.800000110.8G69G50-G69 PolarHBondContact O-N 2.9Å
51F89.4Confident87.6Confident95 Ų9574.6 Ų74.642%0.41742%0.415SS..EExtended strand (participates in β ladder)trans-143.7156.9178.566.6-86.2000111.8I53 D67 I68 Y81F51-I53 HydrophobicContact CD2-CD1 4.09Å; F51-I53 HydrophobicContact CD2-CG1 3.76Å; F51-I53 HydrophobicContact CE2-CD1 3.71Å; F51-I53 HydrophobicContact CE2-CG1 3.85Å; F51-D67 CarbonylContact C-O 3.54Å; F51-D67 WeakPolarHBondContact CA-O 3.43Å; F51-I68 HydrophobicContact CB-CD1 3.55Å; F51-Y81 HydrophobicContact CD1-CE1 4.27Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.45Å; F51-Y81 HydrophobicContact CG-CE1 4.36Å
52N87.8Confident87.6Confident65 Ų6572.9 Ų72.935%0.34840%0.403SS..EExtended strand (participates in β ladder)trans-121.3139.6167.2-59.1-59.8000108.9L34 D67L34-N52 HydrophobicContact CD2-CB 4.31Å; N52-D67 HydrophobicContact CB-CB 4.24Å; N52-D67 PolarHBondContact N-O 2.87Å; N52-D67 PolarHBondContact ND2-OD2 3.3Å; N52-D67 PolarHBondContact O-N 2.79Å
53I91.4Very high87.5Confident77 Ų7771.2 Ų71.240%0.39539%0.394SS..EExtended strand (participates in β ladder)trans-116.5129.8171.2-53.3173.4000107.9F51 V65 W66F51-I53 HydrophobicContact CD2-CD1 4.09Å; F51-I53 HydrophobicContact CD2-CG1 3.76Å; F51-I53 HydrophobicContact CE2-CD1 3.71Å; F51-I53 HydrophobicContact CE2-CG1 3.85Å; I53-V65 WeakPolarHBondContact CA-O 3.33Å; I53-W66 HydrophobicContact CD1-CD2 3.9Å; I53-W66 HydrophobicContact CD1-CE3 3.64Å; I53-W66 HydrophobicContact CD1-CH2 3.46Å; I53-W66 VanDerWaalsContact CD1-CH2 3.46Å; I53-W66 HydrophobicContact CD1-CZ2 3.72Å; I53-W66 HydrophobicContact CD1-CZ3 3.42Å; I53-W66 VanDerWaalsContact CD1-CZ3 3.42Å; I53-W66 HydrophobicContact CG1-CD2 3.89Å; I53-W66 HydrophobicContact CG1-CE3 3.83Å; I53-W66 HydrophobicContact CG1-CG 4.41Å; I53-W66 HydrophobicContact CG1-CH2 4.48Å; I53-W66 HydrophobicContact CG1-CZ3 4.14Å
54K92.4Very high87.8Confident60 Ų6068.9 Ų68.926%0.26138%0.376SS..EExtended strand (participates in β ladder)trans-135.6144.1169.2-68.1-176.4-178.3-82.10111.1L34 A38 E40 V65L34-K54 HydrophobicContact CD1-CB 4.09Å; L34-K54 HydrophobicContact CD1-CD 4.29Å; L34-K54 HydrophobicContact CD2-CB 4.45Å; L34-K54 HydrophobicContact CD2-CD 4.07Å; L34-K54 HydrophobicContact CD2-CG 4.22Å; L34-K54 HydrophobicContact CG-CD 4Å; A38-K54 HydrophobicContact CB-CD 4.21Å; E40-K54 WeakPolarHBondContact OE1-CE 3.46Å; E40-K54 IonicContact OE1-NZ 3.52Å; E40-K54 PolarHBondContact OE1-NZ 3.19Å; E40-K54 WeakPolarHBondContact OE2-CE 3.39Å; E40-K54 IonicContact OE2-NZ 2.87Å; E40-K54 PolarHBondContact OE2-NZ 2.96Å; K54-V65 PolarHBondContact N-O 2.86Å; K54-V65 PolarHBondContact O-N 3.01Å
55S92.8Very high88.1Confident74 Ų7461.9 Ų61.952%0.51734%0.344SS..EExtended strand (participates in β ladder)trans-97.7120.8169.5-57.80000109.1L63 N64S55-L63 CarbonylContact C-O 3.53Å; S55-L63 VanDerWaalsContact CA-O 3.27Å; S55-L63 WeakPolarHBondContact CA-O 3.5Å; S55-N64 PolarHBondContact OG-OD1 3.42Å
56V89.6Confident88.5Confident16 Ų1661.9 Ų61.910%0.09734%0.34CS..EExtended strand (participates in β ladder)trans-115.8133.9177.1-1790000108.7L37 A38 L63L37-V56 HydrophobicContact CB-CG2 4.49Å; L37-V56 VanDerWaalsContact O-CG1 3.25Å; L37-V56 WeakPolarHBondContact O-CG1 3.34Å; A38-V56 HydrophobicContact CB-CG2 4.12Å; V56-L63 PolarHBondContact N-O 3.16Å; V56-L63 WeakPolarHBondContact O-CB 3.31Å; V56-L63 PolarHBondContact O-N 2.89Å
57Q86.4Confident88.9Confident116 Ų11656.3 Ų56.354%0.54231%0.306SS..EExtended strand (participates in β ladder)trans-87124.4173.9-71.3-73.52000109.9D15 F61D15-Q57 PolarHBondContact OD2-NE2 3.25Å; D15-Q57 PolarHBondContact OD2-OE1 3.31Å; Q57-F61 PolarHBondContact OE1-O 3.24Å; Q57-F61 VanDerWaalsContact OE1-O 3.06Å
58S81.6Confident89.3Confident21 Ų2151.7 Ų51.715%0.14728%0.276CS..EExtended strand (participates in β ladder)trans-148.1124.9176.5-163.10000111.2G60 F61S58-G60 VanDerWaalsContact C-N 3.27Å; S58-G60 PolarHBondContact O-N 2.65Å; S58-G60 VanDerWaalsContact O-N 3.14Å; S58-F61 PolarHBondContact N-O 3.23Å; S58-F61 WeakPolarHBondContact O-CA 3.41Å; S58-F61 WeakPolarHBondContact O-CB 3.49Å; S58-F61 PolarHBondContact O-N 3.39Å
59Q77.6Confident89.7Confident110 Ų11050.8 Ų50.851%0.51427%0.271SS..THydrogen-bonded Turntrans51.837.2174.1-60.9178.724.500115.3F61 N171Q59-F61 VanDerWaalsContact C-N 3.28Å; Q59-F61 HydrophobicContact CB-CD2 4.4Å; Q59-F61 WeakPolarHBondContact O-CD2 3.29Å; Q59-F61 PolarHBondContact O-N 3.49Å; Q59-N171 PolarHBondContact NE2-OD1 3.03Å
60G78.2Confident90.3Very high47 Ų4742.8 Ų42.849%0.48523%0.234SC..THydrogen-bonded Turntrans76.512.8-177.400000114.4D15 Q16 S58D15-G60 WeakPolarHBondContact CA-O 3.42Å; Q16-G60 PolarHBondContact N-O 3.11Å; S58-G60 VanDerWaalsContact C-N 3.27Å; S58-G60 PolarHBondContact O-N 2.65Å; S58-G60 VanDerWaalsContact O-N 3.14Å
61F83.3Confident90.7Very high16 Ų1642.9 Ų42.97%0.0723%0.225CC..EExtended strand (participates in β ladder)trans-110141.4169.7-62.4-90.3000110.7Q16 V18 Q57 S58 Q59 L63 C174 V177 N178Q16-F61 HydrophobicContact CB-CD1 3.65Å; Q16-F61 HydrophobicContact CB-CE1 3.82Å; Q16-F61 HydrophobicContact CG-CD1 3.89Å; Q16-F61 HydrophobicContact CG-CE1 3.88Å; Q16-F61 WeakPolarHBondContact O-CA 3.48Å; Q16-F61 WeakPolarHBondContact O-CD1 3.38Å; V18-F61 HydrophobicContact CG2-CB 4.28Å; V18-F61 HydrophobicContact CG2-CD1 3.56Å; V18-F61 HydrophobicContact CG2-CE1 4.31Å; V18-F61 HydrophobicContact CG2-CG 4.25Å; Q57-F61 PolarHBondContact OE1-O 3.24Å; Q57-F61 VanDerWaalsContact OE1-O 3.06Å; S58-F61 PolarHBondContact N-O 3.23Å; S58-F61 WeakPolarHBondContact O-CA 3.41Å; S58-F61 WeakPolarHBondContact O-CB 3.49Å; S58-F61 PolarHBondContact O-N 3.39Å; Q59-F61 VanDerWaalsContact C-N 3.28Å; Q59-F61 HydrophobicContact CB-CD2 4.4Å; Q59-F61 WeakPolarHBondContact O-CD2 3.29Å; Q59-F61 PolarHBondContact O-N 3.49Å; F61-L63 HydrophobicContact CB-CD2 3.63Å; F61-L63 HydrophobicContact CB-CG 4.37Å; F61-L63 HydrophobicContact CG-CD2 4.49Å; F61-C174 HydrophobicContact CD2-CB 4.09Å; F61-C174 HydrophobicContact CE2-CB 3.85Å; F61-V177 HydrophobicContact CE1-CG1 4.17Å; F61-N178 WeakPolarHBondContact CZ-OD1 3.23Å
62K91Very high91Very high64 Ų6447.8 Ų47.828%0.27824%0.241SC..EExtended strand (participates in β ladder)trans-94.2100.8165.9-179.4178.8166.6-158.90108.4D15 Q16 E17 V18 N64D15-K62 HydrophobicContact CB-CB 4.05Å; Q16-K62 PolarHBondContact O-N 3.13Å; Q16-K62 VanDerWaalsContact O-N 3.1Å; E17-K62 WeakPolarHBondContact CA-O 3.38Å; E17-K62 HydrophobicContact CG-CB 4.36Å; E17-K62 HydrophobicContact CG-CD 4.23Å; E17-K62 WeakPolarHBondContact OE1-CD 3.35Å; E17-K62 IonicContact OE1-NZ 3.81Å; E17-K62 PolarHBondContact OE1-NZ 3.42Å; V18-K62 PolarHBondContact N-O 2.99Å; K62-N64 PolarHBondContact O-N 2.99Å
63L92.6Very high91.3Very high3 Ų352.2 Ų52.22%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-85109.6-178.1-51.9-175.8000109.7V18 I20 S55 V56 F61 V65 M170V18-L63 HydrophobicContact CB-CD2 3.83Å; V18-L63 HydrophobicContact CG1-CD2 4.37Å; V18-L63 HydrophobicContact CG2-CD2 4.07Å; I20-L63 HydrophobicContact CD1-CB 4.03Å; I20-L63 HydrophobicContact CD1-CD1 4.14Å; I20-L63 HydrophobicContact CD1-CD2 4.16Å; I20-L63 HydrophobicContact CD1-CG 4.34Å; S55-L63 CarbonylContact C-O 3.53Å; S55-L63 VanDerWaalsContact CA-O 3.27Å; S55-L63 WeakPolarHBondContact CA-O 3.5Å; V56-L63 PolarHBondContact N-O 3.16Å; V56-L63 WeakPolarHBondContact O-CB 3.31Å; V56-L63 PolarHBondContact O-N 2.89Å; F61-L63 HydrophobicContact CB-CD2 3.63Å; F61-L63 HydrophobicContact CB-CG 4.37Å; F61-L63 HydrophobicContact CG-CD2 4.49Å; L63-V65 HydrophobicContact CB-CG2 4.43Å; L63-V65 PolarHBondContact O-N 3.3Å; L63-M170 HydrophobicContact CD1-CE 3.37Å
64N95.6Very high91.4Very high26 Ų2649.9 Ų49.914%0.13925%0.245CC..EExtended strand (participates in β ladder)trans-91.997.7174.3-64.5-47.6000108.9V18 I20 S55 K62V18-N64 PolarHBondContact O-N 2.86Å; I20-N64 PolarHBondContact N-O 3.45Å; S55-N64 PolarHBondContact OG-OD1 3.42Å; K62-N64 PolarHBondContact O-N 2.99Å
65V97Very high91.5Very high3 Ų347.7 Ų47.72%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-94.2125.4-175.5-1700000110.6I20 L22 L34 I53 K54 L63I20-V65 HydrophobicContact CB-CG1 4.47Å; I20-V65 HydrophobicContact CB-CG2 4.22Å; I20-V65 HydrophobicContact CD1-CG2 4.3Å; I20-V65 HydrophobicContact CG2-CG1 4.22Å; I20-V65 CarbonylContact O-C 3.58Å; I20-V65 WeakPolarHBondContact O-CA 3.42Å; L22-V65 HydrophobicContact CB-CG1 3.92Å; L22-V65 HydrophobicContact CD2-CG1 4.17Å; L34-V65 HydrophobicContact CD1-CB 3.68Å; L34-V65 HydrophobicContact CD1-CG1 3.79Å; L34-V65 HydrophobicContact CD1-CG2 4.15Å; I53-V65 WeakPolarHBondContact CA-O 3.33Å; K54-V65 PolarHBondContact N-O 2.86Å; K54-V65 PolarHBondContact O-N 3.01Å; L63-V65 HydrophobicContact CB-CG2 4.43Å; L63-V65 PolarHBondContact O-N 3.3Å
66W97.5Very high91.7Very high60 Ų6048 Ų4823%0.22724%0.235CC..EExtended strand (participates in β ladder)trans-104.294.2176.6-65.467.9000109.3I20 L21 L22 I53 I68 Y81I20-W66 PolarHBondContact O-N 3.21Å; L21-W66 HydrophobicContact CD1-CB 4.06Å; L22-W66 WeakPolarHBondContact CB-O 3.25Å; L22-W66 PolarHBondContact N-O 3.48Å; I53-W66 HydrophobicContact CD1-CD2 3.9Å; I53-W66 HydrophobicContact CD1-CE3 3.64Å; I53-W66 HydrophobicContact CD1-CH2 3.46Å; I53-W66 VanDerWaalsContact CD1-CH2 3.46Å; I53-W66 HydrophobicContact CD1-CZ2 3.72Å; I53-W66 HydrophobicContact CD1-CZ3 3.42Å; I53-W66 VanDerWaalsContact CD1-CZ3 3.42Å; I53-W66 HydrophobicContact CG1-CD2 3.89Å; I53-W66 HydrophobicContact CG1-CE3 3.83Å; I53-W66 HydrophobicContact CG1-CG 4.41Å; I53-W66 HydrophobicContact CG1-CH2 4.48Å; I53-W66 HydrophobicContact CG1-CZ3 4.14Å; W66-I68 HydrophobicContact CB-CD1 4.22Å; W66-I68 PolarHBondContact O-N 3.16Å; W66-Y81 AromaticContact CE3-CD1 3.66Å; W66-Y81 HydrophobicContact CE3-CD1 3.66Å; W66-Y81 HydrophobicContact CE3-CE1 4.06Å; W66-Y81 AromaticContact CZ3-CD1 3.8Å; W66-Y81 HydrophobicContact CZ3-CD1 3.8Å; W66-Y81 AromaticContact CZ3-CE1 3.99Å; W66-Y81 HydrophobicContact CZ3-CE1 3.99Å
67D96.8Very high91.9Very high0 Ų053.7 Ų53.70%026%0.256CS..EExtended strand (participates in β ladder)trans-80.8108.6174.6170.140.9000109.7L22 K30 T31 L34 F51 N52L22-D67 HydrophobicContact CD2-CB 4.09Å; K30-D67 VanDerWaalsContact CB-OD1 3.28Å; K30-D67 WeakPolarHBondContact CB-OD1 3.42Å; T31-D67 WeakPolarHBondContact CB-OD2 3.17Å; T31-D67 PolarHBondContact OG1-OD2 2.95Å; L34-D67 HydrophobicContact CD2-CB 3.6Å; F51-D67 CarbonylContact C-O 3.54Å; F51-D67 WeakPolarHBondContact CA-O 3.43Å; N52-D67 HydrophobicContact CB-CB 4.24Å; N52-D67 PolarHBondContact N-O 2.87Å; N52-D67 PolarHBondContact ND2-OD2 3.3Å; N52-D67 PolarHBondContact O-N 2.79Å
68I96.8Very high92.4Very high4 Ų448.4 Ų48.42%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-102.3137.7-179.8-42.8-57.1000109.3L21 L22 L23 K30 F51 W66 Y81L21-I68 HydrophobicContact CD1-CD1 4.35Å; L21-I68 HydrophobicContact CD1-CG1 3.84Å; L22-I68 PolarHBondContact O-N 3.02Å; L23-I68 HydrophobicContact CD2-CB 3.67Å; L23-I68 HydrophobicContact CD2-CG1 3.72Å; L23-I68 HydrophobicContact CD2-CG2 4.49Å; K30-I68 WeakPolarHBondContact CE-O 3.33Å; F51-I68 HydrophobicContact CB-CD1 3.55Å; W66-I68 HydrophobicContact CB-CD1 4.22Å; W66-I68 PolarHBondContact O-N 3.16Å; I68-Y81 HydrophobicContact CD1-CD1 3.99Å; I68-Y81 HydrophobicContact CD1-CD2 3.82Å; I68-Y81 HydrophobicContact CD1-CE1 4.13Å; I68-Y81 HydrophobicContact CD1-CE2 3.98Å; I68-Y81 HydrophobicContact CD1-CG 3.82Å; I68-Y81 HydrophobicContact CG1-CD2 4.11Å; I68-Y81 HydrophobicContact CG1-CG 4.34Å; I68-Y81 HydrophobicContact CG2-CD2 4.31Å; I68-Y81 HydrophobicContact CG2-CE2 4.13Å
69G95.5Very high93.1Very high2 Ų255 Ų552%0.02125%0.252CS..  trans-59.1144.8176.800000112.4G50 I74 W78G50-G69 PolarHBondContact O-N 2.9Å; G69-I74 WeakPolarHBondContact O-CD1 3.41Å; G69-W78 PolarHBondContact O-NE1 3.27Å
70G96.1Very high94Very high3 Ų354.7 Ų54.73%0.03126%0.255CS..  trans-1076.2-172.500000115.8G24 D26 R75G24-G70 WeakPolarHBondContact O-CA 3.44Å; D26-G70 PolarHBondContact N-O 3.46Å; G70-R75 PolarHBondContact O-NE 3.38Å; G70-R75 PolarHBondContact O-NH2 2.97Å
71Q96Very high94.9Very high39 Ų3954.5 Ų54.518%0.18224%0.239CC..  trans-65.7138.5-179.6-61172.958.100109.1D26 T48 K73 I74 R75D26-Q71 HydrophobicContact CB-CG 3.93Å; T48-Q71 PolarHBondContact O-NE2 3.05Å; Q71-K73 HydrophobicContact CB-CG 4.09Å; Q71-K73 PolarHBondContact O-N 3.16Å; Q71-I74 HydrophobicContact CB-CD1 4.33Å; Q71-I74 HydrophobicContact CB-CG1 4.06Å; Q71-I74 WeakPolarHBondContact O-CG1 3.08Å; Q71-I74 PolarHBondContact O-N 3.42Å; Q71-R75 WeakPolarHBondContact O-CG 3.37Å; Q71-R75 PolarHBondContact O-N 3.21Å
72R94.9Very high95.6Very high197 Ų19753.9 Ų53.974%0.74324%0.237SC*.G310 helixtrans-46.5-41.7-176.8-169.3174.2-179.6-178.11.9114.2I74 R75R72-I74 PolarHBondContact O-N 3.1Å; R72-R75 PolarHBondContact O-N 3.29Å
73K94.5Very high95.8Very high158 Ų15856.2 Ų56.269%0.68725%0.249SC*.G310 helixtrans-62.7-18.7178.445.9-179.5172.7177.80115.6Q71Q71-K73 HydrophobicContact CB-CG 4.09Å; Q71-K73 PolarHBondContact O-N 3.16Å
74I92.9Very high95.9Very high29 Ų2962.5 Ų62.515%0.14928%0.282CS..G310 helixtrans-113.3-9.3-179.661.3174000114.3G69 Q71 R72 P76 Y77G69-I74 WeakPolarHBondContact O-CD1 3.41Å; Q71-I74 HydrophobicContact CB-CD1 4.33Å; Q71-I74 HydrophobicContact CB-CG1 4.06Å; Q71-I74 WeakPolarHBondContact O-CG1 3.08Å; Q71-I74 PolarHBondContact O-N 3.42Å; R72-I74 PolarHBondContact O-N 3.1Å; I74-P76 VanDerWaalsContact C-N 3.31Å; I74-Y77 HydrophobicContact CB-CD2 4.33Å; I74-Y77 WeakPolarHBondContact O-CB 3.37Å; I74-Y77 WeakPolarHBondContact O-CD2 3.41Å; I74-Y77 PolarHBondContact O-N 2.77Å
75R95.8Very high96Very high14 Ų1461.6 Ų61.65%0.05328%0.278CS..G310 helixtrans-56.3-35.1176.5-56.5-175.2-163.8152.84.6114.1D26 G70 Q71 R72 Y77 W78 E102 E106D26-R75 IonicContact OD1-NH2 3.64Å; D26-R75 PolarHBondContact OD1-NH2 3.38Å; G70-R75 PolarHBondContact O-NE 3.38Å; G70-R75 PolarHBondContact O-NH2 2.97Å; Q71-R75 WeakPolarHBondContact O-CG 3.37Å; Q71-R75 PolarHBondContact O-N 3.21Å; R72-R75 PolarHBondContact O-N 3.29Å; R75-Y77 PolarHBondContact O-N 3.49Å; R75-W78 HydrophobicContact CB-CD2 4.17Å; R75-W78 HydrophobicContact CB-CE3 4.39Å; R75-W78 HydrophobicContact CB-CZ2 4.39Å; R75-W78 HydrophobicContact CG-CD2 4.44Å; R75-W78 HydrophobicContact CG-CH2 4.08Å; R75-W78 HydrophobicContact CG-CZ2 3.77Å; R75-W78 VanDerWaalsContact O-CB 3.26Å; R75-W78 WeakPolarHBondContact O-CB 3.43Å; R75-W78 VanDerWaalsContact O-CG 3.27Å; R75-W78 PolarHBondContact O-N 3.36Å; R75-E102 IonicContact CZ-OE1 3.4Å; R75-E102 IonicContact NH1-OE1 3.97Å; R75-E102 PolarHBondContact NH1-OE1 2.89Å; R75-E102 IonicContact NH2-OE1 2.65Å; R75-E102 PolarHBondContact NH2-OE1 2.83Å; R75-E106 VanDerWaalsContact CD-CD 3.46Å; R75-E106 WeakPolarHBondContact CD-OE1 3.37Å; R75-E106 WeakPolarHBondContact CD-OE2 3.27Å; R75-E106 IonicContact CZ-OE1 2.71Å; R75-E106 IonicContact NE-OE1 2.67Å; R75-E106 IonicContact NH1-OE1 2.6Å; R75-E106 PolarHBondContact NH1-OE1 2.83Å
76P95.4Very high96Very high79 Ų7964 Ų6451%0.51329%0.291SS..G310 helixtrans-59.3-15.1174.4-27.236.5000115.2I74 R79I74-P76 VanDerWaalsContact C-N 3.31Å; P76-R79 WeakPolarHBondContact O-CG 3.14Å; P76-R79 PolarHBondContact O-NE 2.95Å
77Y94.4Very high96Very high136 Ų13661.2 Ų61.253%0.53328%0.28SS..G310 helixtrans-91.9-6.8175.8-57.7-77.3000113.4I74 R75 R79 N80 Y81I74-Y77 HydrophobicContact CB-CD2 4.33Å; I74-Y77 WeakPolarHBondContact O-CB 3.37Å; I74-Y77 WeakPolarHBondContact O-CD2 3.41Å; I74-Y77 PolarHBondContact O-N 2.77Å; R75-Y77 PolarHBondContact O-N 3.49Å; Y77-R79 PolarHBondContact O-N 3.48Å; Y77-N80 VanDerWaalsContact O-CB 3.28Å; Y77-N80 WeakPolarHBondContact O-CB 3.48Å; Y77-N80 PolarHBondContact O-N 2.97Å; Y77-N80 VanDerWaalsContact O-N 3.07Å; Y77-Y81 WeakPolarHBondContact O-CD2 3.49Å; Y77-Y81 WeakPolarHBondContact O-CE2 3.48Å
78W97.6Very high96.1Very high6 Ų661.3 Ų61.32%0.02328%0.28CS..G310 helixtrans-54.9-39.1176.5-72.7-2.8000112.1L23 G24 G69 R75 N80 Y81 F82 E106 L110L23-W78 HydrophobicContact CD1-CB 4.47Å; L23-W78 HydrophobicContact CD1-CD2 4.19Å; L23-W78 HydrophobicContact CD1-CE3 4.14Å; L23-W78 HydrophobicContact CD1-CG 4.4Å; L23-W78 HydrophobicContact CD2-CB 4.49Å; L23-W78 HydrophobicContact CD2-CD2 3.92Å; L23-W78 HydrophobicContact CD2-CG 3.89Å; G24-W78 WeakPolarHBondContact O-CZ2 3.48Å; G69-W78 PolarHBondContact O-NE1 3.27Å; R75-W78 HydrophobicContact CB-CD2 4.17Å; R75-W78 HydrophobicContact CB-CE3 4.39Å; R75-W78 HydrophobicContact CB-CZ2 4.39Å; R75-W78 HydrophobicContact CG-CD2 4.44Å; R75-W78 HydrophobicContact CG-CH2 4.08Å; R75-W78 HydrophobicContact CG-CZ2 3.77Å; R75-W78 VanDerWaalsContact O-CB 3.26Å; R75-W78 WeakPolarHBondContact O-CB 3.43Å; R75-W78 VanDerWaalsContact O-CG 3.27Å; R75-W78 PolarHBondContact O-N 3.36Å; W78-N80 PolarHBondContact O-N 3.1Å; W78-Y81 PolarHBondContact O-N 2.83Å; W78-F82 HydrophobicContact CB-CE1 3.87Å; W78-F82 HydrophobicContact CB-CZ 4.03Å; W78-F82 WeakPolarHBondContact O-CD1 3.44Å; W78-F82 VanDerWaalsContact O-CE1 3.23Å; W78-F82 WeakPolarHBondContact O-CE1 3.23Å; W78-E106 HydrophobicContact CZ3-CB 4.37Å; W78-E106 WeakPolarHBondContact CZ3-OE2 3.4Å; W78-L110 HydrophobicContact CE3-CD1 4.12Å; W78-L110 HydrophobicContact CE3-CD2 4.02Å; W78-L110 HydrophobicContact CE3-CG 4.32Å; W78-L110 HydrophobicContact CZ3-CD1 3.88Å; W78-L110 HydrophobicContact CZ3-CG 4.36Å
79R96.4Very high96.2Very high158 Ų15861.2 Ų61.260%0.59628%0.28SS*.G310 helixtrans-56.6-21.4177.566.1-173.1172.1140.42.1115.6P76 Y77 Y81 F82P76-R79 WeakPolarHBondContact O-CG 3.14Å; P76-R79 PolarHBondContact O-NE 2.95Å; Y77-R79 PolarHBondContact O-N 3.48Å; R79-Y81 PolarHBondContact O-N 2.99Å; R79-F82 HydrophobicContact CB-CD2 3.98Å; R79-F82 HydrophobicContact CB-CE2 3.61Å; R79-F82 HydrophobicContact CB-CZ 4.08Å
80N96.2Very high96.3Very high105 Ų10561.1 Ų61.156%0.56128%0.279SS*.G310 helixtrans-69.3-12175.5-60.9-16.5000112.4Y77 W78Y77-N80 VanDerWaalsContact O-CB 3.28Å; Y77-N80 WeakPolarHBondContact O-CB 3.48Å; Y77-N80 PolarHBondContact O-N 2.97Å; Y77-N80 VanDerWaalsContact O-N 3.07Å; W78-N80 PolarHBondContact O-N 3.1Å
81Y97Very high96.5Very high42 Ų4261 Ų6117%0.16528%0.277CS..G310 helixtrans-117.73.7-173.7-53-80.7000113.6R19 F51 W66 I68 Y77 W78 R79 T85R19-Y81 PolarHBondContact NH1-O 3.05Å; R19-Y81 PolarHBondContact NH2-O 2.85Å; F51-Y81 HydrophobicContact CD1-CE1 4.27Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.45Å; F51-Y81 HydrophobicContact CG-CE1 4.36Å; W66-Y81 AromaticContact CE3-CD1 3.66Å; W66-Y81 HydrophobicContact CE3-CD1 3.66Å; W66-Y81 HydrophobicContact CE3-CE1 4.06Å; W66-Y81 AromaticContact CZ3-CD1 3.8Å; W66-Y81 HydrophobicContact CZ3-CD1 3.8Å; W66-Y81 AromaticContact CZ3-CE1 3.99Å; W66-Y81 HydrophobicContact CZ3-CE1 3.99Å; I68-Y81 HydrophobicContact CD1-CD1 3.99Å; I68-Y81 HydrophobicContact CD1-CD2 3.82Å; I68-Y81 HydrophobicContact CD1-CE1 4.13Å; I68-Y81 HydrophobicContact CD1-CE2 3.98Å; I68-Y81 HydrophobicContact CD1-CG 3.82Å; I68-Y81 HydrophobicContact CG1-CD2 4.11Å; I68-Y81 HydrophobicContact CG1-CG 4.34Å; I68-Y81 HydrophobicContact CG2-CD2 4.31Å; I68-Y81 HydrophobicContact CG2-CE2 4.13Å; Y77-Y81 WeakPolarHBondContact O-CD2 3.49Å; Y77-Y81 WeakPolarHBondContact O-CE2 3.48Å; W78-Y81 PolarHBondContact O-N 2.83Å; R79-Y81 PolarHBondContact O-N 2.99Å; Y81-T85 PolarHBondContact O-OG1 2.92Å
82F97.8Very high96.6Very high4 Ų459.2 Ų59.22%0.01827%0.269CS..  trans-72-36.1-176.2-63.2-13.8000113.3L21 L23 W78 R79 T85 L110 E113 K115 L116L21-F82 HydrophobicContact CD2-CD1 3.74Å; L21-F82 HydrophobicContact CD2-CE1 4.23Å; L23-F82 HydrophobicContact CD1-CE1 4.14Å; W78-F82 HydrophobicContact CB-CE1 3.87Å; W78-F82 HydrophobicContact CB-CZ 4.03Å; W78-F82 WeakPolarHBondContact O-CD1 3.44Å; W78-F82 VanDerWaalsContact O-CE1 3.23Å; W78-F82 WeakPolarHBondContact O-CE1 3.23Å; R79-F82 HydrophobicContact CB-CD2 3.98Å; R79-F82 HydrophobicContact CB-CE2 3.61Å; R79-F82 HydrophobicContact CB-CZ 4.08Å; F82-T85 WeakPolarHBondContact O-CB 3.41Å; F82-T85 PolarHBondContact O-N 2.62Å; F82-T85 PolarHBondContact O-OG1 3.48Å; F82-L110 HydrophobicContact CE1-CD2 3.6Å; F82-L110 HydrophobicContact CE2-CD2 4.43Å; F82-L110 HydrophobicContact CZ-CD2 3.42Å; F82-L110 VanDerWaalsContact CZ-CD2 3.42Å; F82-E113 HydrophobicContact CD2-CB 4.21Å; F82-E113 HydrophobicContact CD2-CG 4.1Å; F82-E113 HydrophobicContact CE2-CB 4.11Å; F82-E113 HydrophobicContact CE2-CG 3.52Å; F82-E113 HydrophobicContact CZ-CG 4.3Å; F82-K115 HydrophobicContact CB-CB 3.68Å; F82-K115 HydrophobicContact CB-CD 4.25Å; F82-K115 HydrophobicContact CD2-CB 4.41Å; F82-L116 HydrophobicContact CB-CD2 3.95Å; F82-L116 HydrophobicContact CB-CG 4.03Å; F82-L116 HydrophobicContact CD1-CD1 3.86Å; F82-L116 HydrophobicContact CD1-CD2 4.29Å; F82-L116 HydrophobicContact CD1-CG 4.2Å; F82-L116 HydrophobicContact CD2-CD1 4.31Å; F82-L116 HydrophobicContact CD2-CG 4.32Å; F82-L116 HydrophobicContact CE1-CD1 4.04Å; F82-L116 HydrophobicContact CE2-CD1 4.49Å; F82-L116 HydrophobicContact CG-CD1 4.02Å; F82-L116 HydrophobicContact CG-CD2 4.21Å; F82-L116 HydrophobicContact CG-CG 3.94Å; F82-L116 HydrophobicContact CZ-CD1 4.37Å
83E95.1Very high96.8Very high112 Ų11250.7 Ų50.752%0.52324%0.238SC..THydrogen-bonded Turntrans-60.7140.9-177.1-66-176.8-169.300112.3R19 T85 K115R19-E83 PolarHBondContact NH1-O 2.86Å; E83-T85 PolarHBondContact O-N 3.14Å; E83-K115 HydrophobicContact CG-CD 3.85Å; E83-K115 IonicContact OE1-NZ 2.72Å; E83-K115 PolarHBondContact OE1-NZ 2.95Å
84N94.2Very high97Very high136 Ų13643.1 Ų43.173%0.72721%0.206SC*.THydrogen-bonded Turntrans60.423.7-179.3-50.7-56.2000113.9R19 D86R19-N84 WeakPolarHBondContact CB-O 3.46Å; R19-N84 VanDerWaalsContact CD-O 3.25Å; R19-N84 WeakPolarHBondContact CD-O 3.5Å; N84-D86 PolarHBondContact O-N 2.91Å
85T97.3Very high97.2Very high7 Ų743 Ų434%0.04321%0.208CC..  trans-73.2123.2172.2-56.40000110.1R19 L21 Y81 F82 E83 V87 L116 V119R19-T85 PolarHBondContact NH1-OG1 3.06Å; L21-T85 HydrophobicContact CB-CG2 3.63Å; Y81-T85 PolarHBondContact O-OG1 2.92Å; F82-T85 WeakPolarHBondContact O-CB 3.41Å; F82-T85 PolarHBondContact O-N 2.62Å; F82-T85 PolarHBondContact O-OG1 3.48Å; E83-T85 PolarHBondContact O-N 3.14Å; T85-V87 VanDerWaalsContact CG2-O 3.27Å; T85-V87 WeakPolarHBondContact CG2-O 3.33Å; T85-L116 HydrophobicContact CG2-CD2 4.28Å; T85-V119 HydrophobicContact CG2-CG1 3.89Å; T85-V119 WeakPolarHBondContact O-CG2 3.26Å
86D96.8Very high97.3Very high54 Ų5444 Ų4429%0.28922%0.215SC..SBendtrans-84.4-39.3174.1-68-53.5000111.3V18 R19 N84 P120V18-D86 HydrophobicContact CG1-CB 3.85Å; R19-D86 PolarHBondContact N-OD2 3.42Å; R19-D86 WeakPolarHBondContact O-CB 3.39Å; R19-D86 PolarHBondContact O-N 3.1Å; N84-D86 PolarHBondContact O-N 2.91Å; D86-P120 WeakPolarHBondContact O-CD 3.16Å
87V98Very high97.4Very high0 Ų045.9 Ų45.90%021%0.212CC..EExtended strand (participates in β ladder)trans-143.9136.6179.4178.80000110.4R19 I20 L21 T85 I89 V173 V177R19-V87 PolarHBondContact O-N 3.04Å; I20-V87 WeakPolarHBondContact CA-O 3.4Å; L21-V87 PolarHBondContact N-O 3.42Å; T85-V87 VanDerWaalsContact CG2-O 3.27Å; T85-V87 WeakPolarHBondContact CG2-O 3.33Å; V87-I89 HydrophobicContact CG1-CG1 4.45Å; V87-V173 HydrophobicContact CB-CG1 4.41Å; V87-V173 HydrophobicContact CG1-CG1 4.18Å; V87-V173 HydrophobicContact CG1-CG2 4.19Å; V87-V173 HydrophobicContact CG2-CG1 4.16Å; V87-V177 HydrophobicContact CG2-CG2 3.52Å
88L98.6Very high97.5Very high2 Ų248.8 Ų48.81%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-95126.2169175.362.8000109.2L21 L23 L116 V119 P120 V121 L122L21-L88 HydrophobicContact CB-CD1 4.4Å; L21-L88 HydrophobicContact CD2-CD1 4.44Å; L21-L88 HydrophobicContact CG-CD1 4.39Å; L23-L88 HydrophobicContact CB-CD1 4.26Å; L23-L88 HydrophobicContact CD1-CD1 3.93Å; L23-L88 HydrophobicContact CG-CD1 4.11Å; L88-L116 HydrophobicContact CD2-CD1 4.49Å; L88-V119 HydrophobicContact CB-CG1 4.22Å; L88-P120 PolarHBondContact N-O 2.82Å; L88-V121 HydrophobicContact CB-CB 4.44Å; L88-V121 HydrophobicContact CB-CG2 4.29Å; L88-V121 HydrophobicContact CD2-CB 4.47Å; L88-V121 HydrophobicContact CD2-CG2 3.87Å; L88-V121 HydrophobicContact CG-CG2 4.02Å; L88-V121 CarbonylContact O-C 3.54Å; L88-V121 WeakPolarHBondContact O-CA 3.46Å; L88-L122 PolarHBondContact O-N 3.44Å
89I98.8Very high97.6Very high2 Ų250.7 Ų50.71%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-107.1123165-60.7-177.6000107.8I20 L21 L22 L23 L33 V87 V91 L122 F124 M170 V173I20-I89 HydrophobicContact CD1-CD1 4.41Å; I20-I89 HydrophobicContact CG2-CB 4.33Å; I20-I89 HydrophobicContact CG2-CD1 3.57Å; I20-I89 HydrophobicContact CG2-CG1 3.69Å; L21-I89 PolarHBondContact O-N 3.37Å; L22-I89 WeakPolarHBondContact CA-O 3.34Å; L22-I89 HydrophobicContact CD1-CB 3.74Å; L22-I89 HydrophobicContact CD1-CG2 3.47Å; L22-I89 VanDerWaalsContact CD1-CG2 3.47Å; L23-I89 PolarHBondContact N-O 2.94Å; L33-I89 HydrophobicContact CD2-CG2 4.37Å; V87-I89 HydrophobicContact CG1-CG1 4.45Å; I89-V91 HydrophobicContact CG2-CG2 4.26Å; I89-L122 CarbonylContact C-O 3.51Å; I89-L122 WeakPolarHBondContact CA-O 3.48Å; I89-L122 HydrophobicContact CD1-CD2 4.4Å; I89-L122 HydrophobicContact CG1-CB 4.26Å; I89-L122 HydrophobicContact CG1-CD2 4.4Å; I89-F124 HydrophobicContact CG2-CD2 3.59Å; I89-F124 HydrophobicContact CG2-CE2 4.03Å; I89-M170 HydrophobicContact CD1-CE 4.46Å; I89-M170 HydrophobicContact CD1-SD 4.03Å; I89-V173 HydrophobicContact CD1-CG2 4.32Å
90Y98.9Very high97.6Very high0 Ų044.9 Ų44.90%021%0.214CC..EExtended strand (participates in β ladder)trans-113.8123.2177.6-165.2-93.7000110.2L23 I92 T103 L107 L110 L122 I123 F124L23-Y90 HydrophobicContact CB-CD2 4.15Å; L23-Y90 WeakPolarHBondContact O-CA 3.46Å; Y90-I92 HydrophobicContact CD1-CD1 4.17Å; Y90-I92 HydrophobicContact CD1-CG1 3.79Å; Y90-I92 HydrophobicContact CE1-CD1 4.17Å; Y90-I92 HydrophobicContact CE1-CG1 3.72Å; Y90-T103 VanDerWaalsContact CE1-OG1 3.26Å; Y90-T103 WeakPolarHBondContact CE1-OG1 3.27Å; Y90-T103 PolarHBondContact OH-O 2.97Å; Y90-T103 PolarHBondContact OH-OG1 2.87Å; Y90-L107 HydrophobicContact CD1-CB 4.4Å; Y90-L107 HydrophobicContact CD1-CD1 4.14Å; Y90-L107 HydrophobicContact CD1-CD2 4.43Å; Y90-L107 HydrophobicContact CD2-CD1 4.02Å; Y90-L107 HydrophobicContact CE1-CB 4.04Å; Y90-L107 HydrophobicContact CE2-CB 4.37Å; Y90-L107 HydrophobicContact CE2-CD1 4.46Å; Y90-L107 HydrophobicContact CG-CD1 3.84Å; Y90-L110 HydrophobicContact CD2-CD1 3.75Å; Y90-L110 HydrophobicContact CE2-CD1 3.59Å; Y90-L122 PolarHBondContact N-O 2.98Å; Y90-I123 CarbonylContact O-C 3.59Å; Y90-I123 VanDerWaalsContact O-CA 3.32Å; Y90-I123 WeakPolarHBondContact O-CA 3.12Å; Y90-F124 PolarHBondContact O-N 2.68Å
91V98.9Very high97.7Very high0 Ų048 Ų480%023%0.225CC..EExtended strand (participates in β ladder)trans-108.5124.5-174.2-169.10000110.8L22 L23 G28 K30 L33 I89 F124 N126L22-V91 HydrophobicContact CD1-CG2 3.54Å; L23-V91 PolarHBondContact O-N 2.92Å; G28-V91 WeakPolarHBondContact O-CG1 3.25Å; K30-V91 HydrophobicContact CG-CB 3.92Å; K30-V91 HydrophobicContact CG-CG2 3.9Å; L33-V91 HydrophobicContact CD2-CG2 3.76Å; I89-V91 HydrophobicContact CG2-CG2 4.26Å; V91-F124 HydrophobicContact CG1-CB 4.35Å; V91-F124 HydrophobicContact CG2-CB 4.43Å; V91-N126 HydrophobicContact CG1-CB 3.67Å
92I98.8Very high97.8Very high2 Ų248.7 Ų48.71%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-111.8132.7179-62.7174.8000109Y90 S94 F100 T103 I123 F124 N126 I139 L143Y90-I92 HydrophobicContact CD1-CD1 4.17Å; Y90-I92 HydrophobicContact CD1-CG1 3.79Å; Y90-I92 HydrophobicContact CE1-CD1 4.17Å; Y90-I92 HydrophobicContact CE1-CG1 3.72Å; I92-S94 PolarHBondContact O-N 3.16Å; I92-F100 HydrophobicContact CG2-CE1 4.4Å; I92-T103 HydrophobicContact CD1-CG2 4.21Å; I92-T103 HydrophobicContact CG1-CG2 4.15Å; I92-T103 HydrophobicContact CG2-CG2 4.14Å; I92-I123 HydrophobicContact CD1-CG2 3.68Å; I92-I123 HydrophobicContact CG1-CG2 4.27Å; I92-F124 PolarHBondContact N-O 2.93Å; I92-N126 WeakPolarHBondContact O-CA 3.49Å; I92-N126 VanDerWaalsContact O-CB 3.32Å; I92-N126 WeakPolarHBondContact O-CB 3.46Å; I92-N126 PolarHBondContact O-N 2.86Å; I92-I139 HydrophobicContact CD1-CG2 3.87Å; I92-I139 HydrophobicContact CG2-CD1 4.49Å; I92-L143 HydrophobicContact CD1-CD2 3.53Å
93D98.8Very high97.8Very high18 Ų1848.7 Ų48.710%0.09623%0.23CC..EExtended strand (participates in β ladder)trans-75.1105.3166.2-178.5-14000109.1A95 D96 F100 K127D93-A95 PolarHBondContact O-N 3.38Å; D93-A95 WeakPolarHBondContact OD1-CB 3.33Å; D93-A95 PolarHBondContact OD1-N 3.08Å; D93-D96 HydrophobicContact CB-CB 3.96Å; D93-D96 PolarHBondContact O-N 2.72Å; D93-D96 PolarHBondContact OD1-N 2.87Å; D93-F100 WeakPolarHBondContact O-CE1 3.4Å; D93-K127 HydrophobicContact CB-CD 4.47Å; D93-K127 VanDerWaalsContact CG-CE 3.5Å; D93-K127 WeakPolarHBondContact OD1-CD 3.32Å; D93-K127 IonicContact OD1-NZ 2.8Å; D93-K127 VanDerWaalsContact OD2-CE 3.26Å; D93-K127 WeakPolarHBondContact OD2-CE 3.33Å; D93-K127 IonicContact OD2-NZ 3.15Å; D93-K127 PolarHBondContact OD2-NZ 2.91Å
94S98.8Very high97.9Very high0 Ų044.2 Ų44.20%021%0.214CC..THydrogen-bonded Turntrans-68.8-17.9-176.3-49.40000113.2I92 F100 A125 N126 Q128 A133 A134 I139I92-S94 PolarHBondContact O-N 3.16Å; S94-F100 WeakPolarHBondContact O-CZ 3.25Å; S94-A125 WeakPolarHBondContact OG-CA 3.33Å; S94-A125 PolarHBondContact OG-O 2.97Å; S94-N126 WeakPolarHBondContact CB-O 3.5Å; S94-N126 PolarHBondContact N-O 3.29Å; S94-N126 PolarHBondContact OG-N 3.12Å; S94-N126 PolarHBondContact OG-O 2.9Å; S94-Q128 PolarHBondContact OG-NE2 3.47Å; S94-A133 WeakPolarHBondContact O-CA 3.44Å; S94-A134 PolarHBondContact O-N 3.14Å; S94-I139 WeakPolarHBondContact OG-CD1 3.29Å
95A98.4Very high98.1Very high25 Ų2543.2 Ų43.221%0.20721%0.205CC..THydrogen-bonded Turntrans-87.7-14.517800000112.7D93 R97 L130 T132D93-A95 PolarHBondContact O-N 3.38Å; D93-A95 WeakPolarHBondContact OD1-CB 3.33Å; D93-A95 PolarHBondContact OD1-N 3.08Å; A95-R97 PolarHBondContact O-N 3.16Å; A95-L130 HydrophobicContact CB-CB 4.25Å; A95-L130 HydrophobicContact CB-CD1 3.58Å; A95-T132 WeakPolarHBondContact CB-OG1 3.34Å
96D98.1Very high98.2Very high37 Ų3744.4 Ų44.420%0.19821%0.21CC..  trans-94.863.4-176.4-161.9-11000112.7D93 K98 R99 F100D93-D96 HydrophobicContact CB-CB 3.96Å; D93-D96 PolarHBondContact O-N 2.72Å; D93-D96 PolarHBondContact OD1-N 2.87Å; D96-K98 PolarHBondContact O-N 2.67Å; D96-R99 PolarHBondContact O-N 3.39Å; D96-R99 IonicContact OD2-CZ 2.98Å; D96-R99 IonicContact OD2-NE 3.5Å; D96-R99 PolarHBondContact OD2-NE 2.87Å; D96-R99 IonicContact OD2-NH2 3.63Å; D96-R99 PolarHBondContact OD2-NH2 2.65Å; D96-F100 VanDerWaalsContact O-CD1 3.24Å; D96-F100 WeakPolarHBondContact O-CD1 3.43Å; D96-F100 WeakPolarHBondContact O-CE1 3.27Å
97R96.3Very high98.3Very high118 Ų11842 Ų4245%0.44520%0.197SC..G310 helixtrans-54.8-26-179.4-68.2172.8170.7-90.2-2.9113.4A95 R99 F100 E138A95-R97 PolarHBondContact O-N 3.16Å; R97-R99 VanDerWaalsContact C-N 3.26Å; R97-R99 PolarHBondContact O-N 3.39Å; R97-F100 HydrophobicContact CB-CE2 4.48Å; R97-F100 HydrophobicContact CG-CE2 3.96Å; R97-F100 HydrophobicContact CG-CZ 3.93Å; R97-F100 PolarHBondContact O-N 3.25Å; R97-E138 IonicContact CZ-OE1 2.73Å; R97-E138 IonicContact CZ-OE2 2.76Å; R97-E138 IonicContact NH1-OE1 2.78Å; R97-E138 PolarHBondContact NH1-OE1 2.83Å; R97-E138 IonicContact NH1-OE2 2.74Å; R97-E138 IonicContact NH2-OE1 3.68Å; R97-E138 IonicContact NH2-OE2 3.18Å; R97-E138 PolarHBondContact NH2-OE2 3.23Å
98K97.6Very high98.3Very high197 Ų19744.4 Ų44.486%0.85722%0.217SC*.G310 helixtrans-68.3-24.6179.4-65.6-179-178177.40113D96D96-K98 PolarHBondContact O-N 2.67Å
99R97.9Very high98.3Very high45 Ų4548.9 Ų48.917%0.1724%0.237CC..G310 helixtrans-108.414.1-178.6-65.6-164.9-67.6160.75.2113.4L25 D26 D96 R97 E101 E102 T103L25-R99 HydrophobicContact CD1-CB 3.98Å; D26-R99 PolarHBondContact O-NH1 3.27Å; D26-R99 PolarHBondContact O-NH2 2.75Å; D26-R99 VanDerWaalsContact O-NH2 3.11Å; D26-R99 IonicContact OD1-NH1 2.65Å; D26-R99 IonicContact OD2-NH1 3.51Å; D26-R99 PolarHBondContact OD2-NH1 3Å; D96-R99 PolarHBondContact O-N 3.39Å; D96-R99 IonicContact OD2-CZ 2.98Å; D96-R99 IonicContact OD2-NE 3.5Å; D96-R99 PolarHBondContact OD2-NE 2.87Å; D96-R99 IonicContact OD2-NH2 3.63Å; D96-R99 PolarHBondContact OD2-NH2 2.65Å; R97-R99 VanDerWaalsContact C-N 3.26Å; R97-R99 PolarHBondContact O-N 3.39Å; R99-E101 VanDerWaalsContact C-N 3.32Å; R99-E101 PolarHBondContact O-N 2.83Å; R99-E102 HydrophobicContact CB-CB 4.45Å; R99-E102 VanDerWaalsContact CD-OE2 3.29Å; R99-E102 WeakPolarHBondContact CD-OE2 3.47Å; R99-E102 PolarHBondContact O-N 2.84Å; R99-T103 PolarHBondContact O-N 2.98Å
100F97.9Very high98.2Very high37 Ų3749 Ų4916%0.16224%0.239CC..Hα-helixtrans-63.3-38.3176.6-79.210.4000112.4I92 D93 S94 D96 R97 T103 G104 A134 I139I92-F100 HydrophobicContact CG2-CE1 4.4Å; D93-F100 WeakPolarHBondContact O-CE1 3.4Å; S94-F100 WeakPolarHBondContact O-CZ 3.25Å; D96-F100 VanDerWaalsContact O-CD1 3.24Å; D96-F100 WeakPolarHBondContact O-CD1 3.43Å; D96-F100 WeakPolarHBondContact O-CE1 3.27Å; R97-F100 HydrophobicContact CB-CE2 4.48Å; R97-F100 HydrophobicContact CG-CE2 3.96Å; R97-F100 HydrophobicContact CG-CZ 3.93Å; R97-F100 PolarHBondContact O-N 3.25Å; F100-T103 WeakPolarHBondContact O-CG2 3.4Å; F100-G104 PolarHBondContact O-N 2.87Å; F100-A134 HydrophobicContact CE2-CB 3.77Å; F100-A134 HydrophobicContact CZ-CB 3.71Å; F100-I139 HydrophobicContact CE2-CG1 4.15Å; F100-I139 HydrophobicContact CZ-CD1 4.34Å; F100-I139 HydrophobicContact CZ-CG1 4.1Å
101E97.8Very high98.2Very high169 Ų16950 Ų5079%0.7924%0.244SC*.Hα-helixtrans-64.8-47.8174.6-174.4176.7-168.800111.1R99 T103 G104 Q105R99-E101 VanDerWaalsContact C-N 3.32Å; R99-E101 PolarHBondContact O-N 2.83Å; E101-T103 PolarHBondContact O-N 2.91Å; E101-G104 PolarHBondContact O-N 2.84Å; E101-Q105 PolarHBondContact O-N 2.93Å
102E98.3Very high98.1Very high58 Ų5856.9 Ų56.927%0.27128%0.28SS..Hα-helixtrans-59.3-47.4178.3-176.5-176.7-178.500111.8L25 R75 R99 G104 Q105 E106L25-E102 HydrophobicContact CD1-CB 4.18Å; L25-E102 HydrophobicContact CD1-CG 3.94Å; L25-E102 HydrophobicContact CD2-CG 4.32Å; R75-E102 IonicContact CZ-OE1 3.4Å; R75-E102 IonicContact NH1-OE1 3.97Å; R75-E102 PolarHBondContact NH1-OE1 2.89Å; R75-E102 IonicContact NH2-OE1 2.65Å; R75-E102 PolarHBondContact NH2-OE1 2.83Å; R99-E102 HydrophobicContact CB-CB 4.45Å; R99-E102 VanDerWaalsContact CD-OE2 3.29Å; R99-E102 WeakPolarHBondContact CD-OE2 3.47Å; R99-E102 PolarHBondContact O-N 2.84Å; E102-G104 VanDerWaalsContact C-N 3.35Å; E102-Q105 PolarHBondContact O-N 3.17Å; E102-E106 VanDerWaalsContact O-CG 3.24Å; E102-E106 WeakPolarHBondContact O-CG 3.17Å; E102-E106 PolarHBondContact O-N 2.82Å; E102-E106 VanDerWaalsContact O-N 3.1Å
103T98.4Very high98.1Very high4 Ų460.3 Ų60.33%0.02530%0.296CS..Hα-helixtrans-70.9-32.4-179.8-155.70000112.1Y90 I92 R99 F100 E101 L107 L143Y90-T103 VanDerWaalsContact CE1-OG1 3.26Å; Y90-T103 WeakPolarHBondContact CE1-OG1 3.27Å; Y90-T103 PolarHBondContact OH-O 2.97Å; Y90-T103 PolarHBondContact OH-OG1 2.87Å; I92-T103 HydrophobicContact CD1-CG2 4.21Å; I92-T103 HydrophobicContact CG1-CG2 4.15Å; I92-T103 HydrophobicContact CG2-CG2 4.14Å; R99-T103 PolarHBondContact O-N 2.98Å; F100-T103 WeakPolarHBondContact O-CG2 3.4Å; E101-T103 PolarHBondContact O-N 2.91Å; T103-L107 WeakPolarHBondContact O-CB 3.49Å; T103-L107 PolarHBondContact O-N 2.8Å; T103-L143 HydrophobicContact CG2-CD2 4.49Å
104G98.4Very high98Very high18 Ų1867.8 Ų67.819%0.18633%0.331CS..Hα-helixtrans-65.1-43.9174.600000111.9F100 E101 E102 L107 A108F100-G104 PolarHBondContact O-N 2.87Å; E101-G104 PolarHBondContact O-N 2.84Å; E102-G104 VanDerWaalsContact C-N 3.35Å; G104-L107 PolarHBondContact O-N 2.83Å; G104-A108 WeakPolarHBondContact O-CB 3.43Å; G104-A108 PolarHBondContact O-N 2.79Å
105Q98.3Very high97.9Very high115 Ų11572.9 Ų72.954%0.53735%0.353SS..Hα-helixtrans-61.8-48.5175.5-176.8179.5-6.800111.5E101 E102 L107 A108 E109E101-Q105 PolarHBondContact O-N 2.93Å; E102-Q105 PolarHBondContact O-N 3.17Å; Q105-L107 VanDerWaalsContact C-N 3.3Å; Q105-L107 PolarHBondContact O-N 3.47Å; Q105-A108 PolarHBondContact O-N 3.47Å; Q105-A108 VanDerWaalsContact O-N 3.16Å; Q105-E109 WeakPolarHBondContact CG-OE1 3.43Å; Q105-E109 PolarHBondContact NE2-OE1 3.27Å; Q105-E109 WeakPolarHBondContact O-CG 3.24Å; Q105-E109 PolarHBondContact O-N 2.79Å
106E98.5Very high97.9Very high32 Ų3271.7 Ų71.715%0.1534%0.343CS..Hα-helixtrans-63.2-36.5179.1-67-84.8-179.300111.9L25 R75 W78 E102 L110L25-E106 HydrophobicContact CD2-CB 4.37Å; L25-E106 HydrophobicContact CD2-CG 3.97Å; R75-E106 VanDerWaalsContact CD-CD 3.46Å; R75-E106 WeakPolarHBondContact CD-OE1 3.37Å; R75-E106 WeakPolarHBondContact CD-OE2 3.27Å; R75-E106 IonicContact CZ-OE1 2.71Å; R75-E106 IonicContact NE-OE1 2.67Å; R75-E106 IonicContact NH1-OE1 2.6Å; R75-E106 PolarHBondContact NH1-OE1 2.83Å; W78-E106 HydrophobicContact CZ3-CB 4.37Å; W78-E106 WeakPolarHBondContact CZ3-OE2 3.4Å; E102-E106 VanDerWaalsContact O-CG 3.24Å; E102-E106 WeakPolarHBondContact O-CG 3.17Å; E102-E106 PolarHBondContact O-N 2.82Å; E102-E106 VanDerWaalsContact O-N 3.1Å; E106-L110 WeakPolarHBondContact O-CB 3.4Å; E106-L110 VanDerWaalsContact O-CG 3.23Å; E106-L110 WeakPolarHBondContact O-CG 3.26Å; E106-L110 PolarHBondContact O-N 3.45Å; E106-L110 VanDerWaalsContact O-N 3.08Å
107L98.6Very high97.8Very high4 Ų473.8 Ų73.82%0.02136%0.36CS..Hα-helixtrans-65.1-47.6172.7-18060.4000110.7Y90 T103 G104 Q105 E109 L110 L111 V121 I123 L143 L145Y90-L107 HydrophobicContact CD1-CB 4.4Å; Y90-L107 HydrophobicContact CD1-CD1 4.14Å; Y90-L107 HydrophobicContact CD1-CD2 4.43Å; Y90-L107 HydrophobicContact CD2-CD1 4.02Å; Y90-L107 HydrophobicContact CE1-CB 4.04Å; Y90-L107 HydrophobicContact CE2-CB 4.37Å; Y90-L107 HydrophobicContact CE2-CD1 4.46Å; Y90-L107 HydrophobicContact CG-CD1 3.84Å; T103-L107 WeakPolarHBondContact O-CB 3.49Å; T103-L107 PolarHBondContact O-N 2.8Å; G104-L107 PolarHBondContact O-N 2.83Å; Q105-L107 VanDerWaalsContact C-N 3.3Å; Q105-L107 PolarHBondContact O-N 3.47Å; L107-E109 VanDerWaalsContact C-N 3.34Å; L107-E109 PolarHBondContact O-N 2.93Å; L107-L110 WeakPolarHBondContact O-CB 3.43Å; L107-L110 PolarHBondContact O-N 2.69Å; L107-L110 VanDerWaalsContact O-N 3.16Å; L107-L111 HydrophobicContact CD1-CD1 4.39Å; L107-L111 HydrophobicContact CD1-CD2 4.24Å; L107-L111 HydrophobicContact CD1-CG 4.13Å; L107-L111 HydrophobicContact CG-CD1 4.16Å; L107-L111 HydrophobicContact CG-CG 4.29Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.23Å; L107-L111 PolarHBondContact O-N 2.9Å; L107-V121 HydrophobicContact CD1-CG2 4.49Å; L107-I123 HydrophobicContact CD2-CG1 4.25Å; L107-L143 HydrophobicContact CD2-CD2 3.88Å; L107-L145 HydrophobicContact CD2-CD2 3.73Å
108A98.2Very high97.8Very high49 Ų4969.6 Ų69.641%0.40535%0.354SS..Hα-helixtrans-58-45.6178.900000111.9G104 Q105 L110 L111 D112G104-A108 WeakPolarHBondContact O-CB 3.43Å; G104-A108 PolarHBondContact O-N 2.79Å; Q105-A108 PolarHBondContact O-N 3.47Å; Q105-A108 VanDerWaalsContact O-N 3.16Å; A108-L110 VanDerWaalsContact C-N 3.35Å; A108-L110 PolarHBondContact O-N 2.76Å; A108-L111 PolarHBondContact O-N 3.36Å; A108-D112 PolarHBondContact O-N 3.16Å
109E98.1Very high97.8Very high96 Ų9660.5 Ų60.545%0.44932%0.315SS..Hα-helixtrans-58.8-44.2175.3-71.6176-165.100111.6Q105 L107 L111 D112 E113Q105-E109 WeakPolarHBondContact CG-OE1 3.43Å; Q105-E109 PolarHBondContact NE2-OE1 3.27Å; Q105-E109 WeakPolarHBondContact O-CG 3.24Å; Q105-E109 PolarHBondContact O-N 2.79Å; L107-E109 VanDerWaalsContact C-N 3.34Å; L107-E109 PolarHBondContact O-N 2.93Å; E109-L111 VanDerWaalsContact C-N 3.28Å; E109-L111 PolarHBondContact O-N 3.45Å; E109-D112 PolarHBondContact O-N 3.38Å; E109-E113 WeakPolarHBondContact O-CG 3.46Å; E109-E113 PolarHBondContact O-N 3.46Å
110L98.3Very high97.8Very high6 Ų658.4 Ų58.43%0.03131%0.307CS..Hα-helixtrans-63.4-32.2174.3-73.2171000113.3L23 W78 F82 Y90 E106 L107 A108 L116L23-L110 HydrophobicContact CB-CD1 4.28Å; L23-L110 HydrophobicContact CD1-CD1 3.76Å; L23-L110 HydrophobicContact CD1-CD2 3.67Å; L23-L110 HydrophobicContact CD1-CG 4.4Å; W78-L110 HydrophobicContact CE3-CD1 4.12Å; W78-L110 HydrophobicContact CE3-CD2 4.02Å; W78-L110 HydrophobicContact CE3-CG 4.32Å; W78-L110 HydrophobicContact CZ3-CD1 3.88Å; W78-L110 HydrophobicContact CZ3-CG 4.36Å; F82-L110 HydrophobicContact CE1-CD2 3.6Å; F82-L110 HydrophobicContact CE2-CD2 4.43Å; F82-L110 HydrophobicContact CZ-CD2 3.42Å; F82-L110 VanDerWaalsContact CZ-CD2 3.42Å; Y90-L110 HydrophobicContact CD2-CD1 3.75Å; Y90-L110 HydrophobicContact CE2-CD1 3.59Å; E106-L110 WeakPolarHBondContact O-CB 3.4Å; E106-L110 VanDerWaalsContact O-CG 3.23Å; E106-L110 WeakPolarHBondContact O-CG 3.26Å; E106-L110 PolarHBondContact O-N 3.45Å; E106-L110 VanDerWaalsContact O-N 3.08Å; L107-L110 WeakPolarHBondContact O-CB 3.43Å; L107-L110 PolarHBondContact O-N 2.69Å; L107-L110 VanDerWaalsContact O-N 3.16Å; A108-L110 VanDerWaalsContact C-N 3.35Å; A108-L110 PolarHBondContact O-N 2.76Å; L110-L116 HydrophobicContact CB-CD1 4.46Å; L110-L116 HydrophobicContact CD2-CD1 4.12Å; L110-L116 WeakPolarHBondContact O-CD1 3.42Å
111L97.7Very high97.9Very high21 Ų2156.7 Ų56.711%0.1130%0.3CS..Hα-helixtrans-74.4-29.8178.5-63.2-179.2000111.7L107 A108 E109 E113 V121 I148 R151L107-L111 HydrophobicContact CD1-CD1 4.39Å; L107-L111 HydrophobicContact CD1-CD2 4.24Å; L107-L111 HydrophobicContact CD1-CG 4.13Å; L107-L111 HydrophobicContact CG-CD1 4.16Å; L107-L111 HydrophobicContact CG-CG 4.29Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.23Å; L107-L111 PolarHBondContact O-N 2.9Å; A108-L111 PolarHBondContact O-N 3.36Å; E109-L111 VanDerWaalsContact C-N 3.28Å; E109-L111 PolarHBondContact O-N 3.45Å; L111-E113 VanDerWaalsContact C-N 3.3Å; L111-E113 PolarHBondContact O-N 2.92Å; L111-V121 HydrophobicContact CD2-CB 4.49Å; L111-V121 HydrophobicContact CD2-CG1 4.19Å; L111-I148 HydrophobicContact CD1-CD1 3.51Å; L111-I148 HydrophobicContact CD1-CG1 3.86Å; L111-R151 PolarHBondContact O-NH1 3.02Å; L111-R151 PolarHBondContact O-NH2 3.37Å
112D97.3Very high97.9Very high144 Ų14448.6 Ų48.677%0.7726%0.262SS*.Hα-helixtrans-80.9-8177.1-73-17.9000113.8A108 E109 E114A108-D112 PolarHBondContact O-N 3.16Å; E109-D112 PolarHBondContact O-N 3.38Å; D112-E114 PolarHBondContact O-N 3.33Å
113E97.9Very high97.9Very high74 Ų7445.9 Ų45.935%0.34625%0.249SC..  trans-67120.5178.9-75.9-76.1179.700112.6F82 E109 L111 K115 L116 S117F82-E113 HydrophobicContact CD2-CB 4.21Å; F82-E113 HydrophobicContact CD2-CG 4.1Å; F82-E113 HydrophobicContact CE2-CB 4.11Å; F82-E113 HydrophobicContact CE2-CG 3.52Å; F82-E113 HydrophobicContact CZ-CG 4.3Å; E109-E113 WeakPolarHBondContact O-CG 3.46Å; E109-E113 PolarHBondContact O-N 3.46Å; L111-E113 VanDerWaalsContact C-N 3.3Å; L111-E113 PolarHBondContact O-N 2.92Å; E113-K115 PolarHBondContact O-N 3.47Å; E113-K115 VanDerWaalsContact O-N 3.16Å; E113-L116 HydrophobicContact CB-CB 4.29Å; E113-L116 HydrophobicContact CB-CD1 4.32Å; E113-L116 HydrophobicContact CB-CG 4.35Å; E113-L116 CarbonylContact O-C 3.51Å; E113-L116 WeakPolarHBondContact O-CA 3.45Å; E113-L116 PolarHBondContact O-N 2.9Å; E113-S117 PolarHBondContact O-N 3.07Å
114E96.9Very high98Very high175 Ų17545.7 Ų45.782%0.81825%0.248SC*.G310 helixtrans-55.3-38.4-179.3-173.6-177.4-174.200112D112 L116 S117D112-E114 PolarHBondContact O-N 3.33Å; E114-L116 PolarHBondContact O-N 3.1Å; E114-S117 WeakPolarHBondContact O-CB 3.49Å; E114-S117 PolarHBondContact O-N 3.04Å; E114-S117 VanDerWaalsContact O-N 3.11Å
115K97.6Very high98Very high107 Ų10744.8 Ų44.847%0.46524%0.239SC..G310 helixtrans-68.3-16179.2-62.8-173.5178.7-163.90113.7F82 E83 E113F82-K115 HydrophobicContact CB-CB 3.68Å; F82-K115 HydrophobicContact CB-CD 4.25Å; F82-K115 HydrophobicContact CD2-CB 4.41Å; E83-K115 HydrophobicContact CG-CD 3.85Å; E83-K115 IonicContact OE1-NZ 2.72Å; E83-K115 PolarHBondContact OE1-NZ 2.95Å; E113-K115 PolarHBondContact O-N 3.47Å; E113-K115 VanDerWaalsContact O-N 3.16Å
116L97.9Very high98Very high0 Ų039.5 Ų39.50%021%0.214CC..G310 helixtrans-108.27.3176.2-63.8178.9000112.4F82 T85 L88 L110 E113 E114 G118 V119 R151F82-L116 HydrophobicContact CB-CD2 3.95Å; F82-L116 HydrophobicContact CB-CG 4.03Å; F82-L116 HydrophobicContact CD1-CD1 3.86Å; F82-L116 HydrophobicContact CD1-CD2 4.29Å; F82-L116 HydrophobicContact CD1-CG 4.2Å; F82-L116 HydrophobicContact CD2-CD1 4.31Å; F82-L116 HydrophobicContact CD2-CG 4.32Å; F82-L116 HydrophobicContact CE1-CD1 4.04Å; F82-L116 HydrophobicContact CE2-CD1 4.49Å; F82-L116 HydrophobicContact CG-CD1 4.02Å; F82-L116 HydrophobicContact CG-CD2 4.21Å; F82-L116 HydrophobicContact CG-CG 3.94Å; F82-L116 HydrophobicContact CZ-CD1 4.37Å; T85-L116 HydrophobicContact CG2-CD2 4.28Å; L88-L116 HydrophobicContact CD2-CD1 4.49Å; L110-L116 HydrophobicContact CB-CD1 4.46Å; L110-L116 HydrophobicContact CD2-CD1 4.12Å; L110-L116 WeakPolarHBondContact O-CD1 3.42Å; E113-L116 HydrophobicContact CB-CB 4.29Å; E113-L116 HydrophobicContact CB-CD1 4.32Å; E113-L116 HydrophobicContact CB-CG 4.35Å; E113-L116 CarbonylContact O-C 3.51Å; E113-L116 WeakPolarHBondContact O-CA 3.45Å; E113-L116 PolarHBondContact O-N 2.9Å; E114-L116 PolarHBondContact O-N 3.1Å; L116-G118 PolarHBondContact O-N 3.25Å; L116-V119 HydrophobicContact CD2-CG2 4.39Å; L116-V119 VanDerWaalsContact O-CB 3.29Å; L116-V119 WeakPolarHBondContact O-CB 3.24Å; L116-V119 WeakPolarHBondContact O-CG2 3.47Å; L116-V119 PolarHBondContact O-N 3.21Å; L116-R151 PolarHBondContact O-NH1 3.22Å
117S96.4Very high98Very high80 Ų8039.7 Ų39.756%0.55922%0.215SC*.THydrogen-bonded Turntrans-55.7129.5177.7-176.20000111.6E113 E114 V119E113-S117 PolarHBondContact O-N 3.07Å; E114-S117 WeakPolarHBondContact O-CB 3.49Å; E114-S117 PolarHBondContact O-N 3.04Å; E114-S117 VanDerWaalsContact O-N 3.11Å; S117-V119 PolarHBondContact O-N 2.85Å; S117-V119 VanDerWaalsContact O-N 3.1Å
118G95.8Very high98Very high30 Ų3042.4 Ų42.431%0.30923%0.227SC..THydrogen-bonded Turntrans67.32.3-178.700000115.8L116 P120L116-G118 PolarHBondContact O-N 3.25Å; G118-P120 WeakPolarHBondContact O-CD 3.43Å
119V97.9Very high98Very high6 Ų643.3 Ų43.34%0.03623%0.225CC..  trans-71123.1176.1175.60000109.2T85 L88 L116 S117 V121 R151T85-V119 HydrophobicContact CG2-CG1 3.89Å; T85-V119 WeakPolarHBondContact O-CG2 3.26Å; L88-V119 HydrophobicContact CB-CG1 4.22Å; L116-V119 HydrophobicContact CD2-CG2 4.39Å; L116-V119 VanDerWaalsContact O-CB 3.29Å; L116-V119 WeakPolarHBondContact O-CB 3.24Å; L116-V119 WeakPolarHBondContact O-CG2 3.47Å; L116-V119 PolarHBondContact O-N 3.21Å; S117-V119 PolarHBondContact O-N 2.85Å; S117-V119 VanDerWaalsContact O-N 3.1Å; V119-V121 PolarHBondContact O-N 2.91Å; V119-R151 WeakPolarHBondContact O-CD 3.45Å
120P98.3Very high98Very high2 Ų242.1 Ų42.11%0.01322%0.221CC..  trans-57.6138.7175.4-23.834000111.9D86 L88 G118 M152 W172D86-P120 WeakPolarHBondContact O-CD 3.16Å; L88-P120 PolarHBondContact N-O 2.82Å; G118-P120 WeakPolarHBondContact O-CD 3.43Å; P120-M152 WeakPolarHBondContact CA-O 3.34Å; P120-M152 HydrophobicContact CB-CB 4.37Å; P120-M152 HydrophobicContact CB-CE 4.46Å; P120-M152 HydrophobicContact CG-CE 3.87Å; P120-W172 HydrophobicContact CB-CH2 3.88Å; P120-W172 HydrophobicContact CB-CZ3 4.41Å
121V98.6Very high98Very high0 Ų050.6 Ų50.60%027%0.266CS..EExtended strand (participates in β ladder)trans-118.7120.9-179.162.60000112.2L88 L107 L111 V119 I123 R151 M152 W153 Q154 W172L88-V121 HydrophobicContact CB-CB 4.44Å; L88-V121 HydrophobicContact CB-CG2 4.29Å; L88-V121 HydrophobicContact CD2-CB 4.47Å; L88-V121 HydrophobicContact CD2-CG2 3.87Å; L88-V121 HydrophobicContact CG-CG2 4.02Å; L88-V121 CarbonylContact O-C 3.54Å; L88-V121 WeakPolarHBondContact O-CA 3.46Å; L107-V121 HydrophobicContact CD1-CG2 4.49Å; L111-V121 HydrophobicContact CD2-CB 4.49Å; L111-V121 HydrophobicContact CD2-CG1 4.19Å; V119-V121 PolarHBondContact O-N 2.91Å; V121-I123 HydrophobicContact CG1-CD1 4.14Å; V121-I123 HydrophobicContact CG2-CD1 3.98Å; V121-I123 HydrophobicContact CG2-CG1 4.39Å; V121-R151 HydrophobicContact CG1-CG 4.43Å; V121-M152 PolarHBondContact N-O 3.2Å; V121-W153 HydrophobicContact CG1-CB 3.47Å; V121-W153 VanDerWaalsContact CG1-CB 3.47Å; V121-W153 CarbonylContact O-C 3.6Å; V121-W153 WeakPolarHBondContact O-CA 3.16Å; V121-Q154 PolarHBondContact O-N 3.06Å; V121-W172 WeakPolarHBondContact O-CH2 3.12Å
122L98.8Very high98Very high0 Ų054.1 Ų54.10%029%0.288CS..EExtended strand (participates in β ladder)trans-99.1122.5167.817663.6000109L88 I89 Y90 F124 Q154 Q156 W172 V173L88-L122 PolarHBondContact O-N 3.44Å; I89-L122 CarbonylContact C-O 3.51Å; I89-L122 WeakPolarHBondContact CA-O 3.48Å; I89-L122 HydrophobicContact CD1-CD2 4.4Å; I89-L122 HydrophobicContact CG1-CB 4.26Å; I89-L122 HydrophobicContact CG1-CD2 4.4Å; Y90-L122 PolarHBondContact N-O 2.98Å; L122-F124 HydrophobicContact CD2-CD2 4.1Å; L122-F124 HydrophobicContact CD2-CE1 4.34Å; L122-F124 HydrophobicContact CD2-CE2 3.57Å; L122-F124 HydrophobicContact CD2-CZ 3.73Å; L122-F124 HydrophobicContact CG-CD2 4.45Å; L122-F124 HydrophobicContact CG-CE2 4.39Å; L122-Q154 WeakPolarHBondContact CA-O 3.47Å; L122-Q154 HydrophobicContact CD1-CB 4Å; L122-Q154 HydrophobicContact CD1-CG 3.97Å; L122-Q156 HydrophobicContact CD1-CB 4.07Å; L122-W172 HydrophobicContact CB-CE3 3.93Å; L122-W172 HydrophobicContact CB-CZ3 3.7Å; L122-W172 HydrophobicContact CD1-CE3 4.16Å; L122-W172 HydrophobicContact CG-CE3 4.49Å; L122-V173 HydrophobicContact CB-CG2 4.34Å; L122-V173 HydrophobicContact CD2-CG2 3.71Å
123I98.9Very high98Very high0 Ų048.1 Ų48.10%026%0.259CS..EExtended strand (participates in β ladder)trans-97.7117.1171.9-57.685.2000108Y90 I92 L107 V121 L145 W153 Q154 I155 Q156Y90-I123 CarbonylContact O-C 3.59Å; Y90-I123 VanDerWaalsContact O-CA 3.32Å; Y90-I123 WeakPolarHBondContact O-CA 3.12Å; I92-I123 HydrophobicContact CD1-CG2 3.68Å; I92-I123 HydrophobicContact CG1-CG2 4.27Å; L107-I123 HydrophobicContact CD2-CG1 4.25Å; V121-I123 HydrophobicContact CG1-CD1 4.14Å; V121-I123 HydrophobicContact CG2-CD1 3.98Å; V121-I123 HydrophobicContact CG2-CG1 4.39Å; I123-L145 HydrophobicContact CD1-CD1 4.06Å; I123-L145 HydrophobicContact CD1-CD2 4.5Å; I123-L145 HydrophobicContact CG1-CD1 4.17Å; I123-W153 HydrophobicContact CD1-CE3 4.44Å; I123-Q154 WeakPolarHBondContact CD1-O 3.47Å; I123-Q154 PolarHBondContact N-O 2.79Å; I123-I155 HydrophobicContact CB-CB 4.33Å; I123-I155 HydrophobicContact CB-CG1 4.1Å; I123-I155 HydrophobicContact CG2-CD1 4.16Å; I123-I155 HydrophobicContact CG2-CG1 4.12Å; I123-I155 CarbonylContact O-C 3.42Å; I123-I155 VanDerWaalsContact O-CA 3.31Å; I123-I155 WeakPolarHBondContact O-CA 3.26Å; I123-Q156 PolarHBondContact O-N 2.96Å
124F98.9Very high98Very high0 Ų044.6 Ų44.60%024%0.242CC..EExtended strand (participates in β ladder)trans-89.8112.2167.6-86.8-57.6000109.6L33 I89 Y90 V91 I92 L122 N126 Q156 C158 I166L33-F124 HydrophobicContact CD1-CD2 4.29Å; L33-F124 HydrophobicContact CD1-CE2 4.06Å; L33-F124 HydrophobicContact CD1-CZ 4.43Å; L33-F124 HydrophobicContact CD2-CD2 3.48Å; L33-F124 VanDerWaalsContact CD2-CD2 3.48Å; L33-F124 HydrophobicContact CD2-CE2 3.76Å; L33-F124 HydrophobicContact CD2-CG 4.38Å; L33-F124 HydrophobicContact CG-CE2 4.49Å; I89-F124 HydrophobicContact CG2-CD2 3.59Å; I89-F124 HydrophobicContact CG2-CE2 4.03Å; Y90-F124 PolarHBondContact O-N 2.68Å; V91-F124 HydrophobicContact CG1-CB 4.35Å; V91-F124 HydrophobicContact CG2-CB 4.43Å; I92-F124 PolarHBondContact N-O 2.93Å; L122-F124 HydrophobicContact CD2-CD2 4.1Å; L122-F124 HydrophobicContact CD2-CE1 4.34Å; L122-F124 HydrophobicContact CD2-CE2 3.57Å; L122-F124 HydrophobicContact CD2-CZ 3.73Å; L122-F124 HydrophobicContact CG-CD2 4.45Å; L122-F124 HydrophobicContact CG-CE2 4.39Å; F124-N126 VanDerWaalsContact C-N 3.31Å; F124-N126 PolarHBondContact O-N 3.48Å; F124-N126 VanDerWaalsContact O-N 3.12Å; F124-Q156 WeakPolarHBondContact CA-O 3.32Å; F124-Q156 HydrophobicContact CD1-CB 3.96Å; F124-Q156 HydrophobicContact CD1-CG 4.06Å; F124-Q156 HydrophobicContact CE1-CB 3.99Å; F124-Q156 HydrophobicContact CE1-CG 3.73Å; F124-C158 HydrophobicContact CD1-CB 3.68Å; F124-C158 WeakPolarHBondContact CD1-SG 3.19Å; F124-C158 HydrophobicContact CE1-CB 3.93Å; F124-I166 HydrophobicContact CZ-CG2 4.48Å
125A98.8Very high98.1Very high0 Ų039.2 Ų39.20%022%0.223CC..EExtended strand (participates in β ladder)trans-78.785.4164.700000107.7S94 Q128 A136 I139 I155 Q156 C158S94-A125 WeakPolarHBondContact OG-CA 3.33Å; S94-A125 PolarHBondContact OG-O 2.97Å; A125-Q128 WeakPolarHBondContact O-CG 3.41Å; A125-A136 HydrophobicContact CB-CB 3.95Å; A125-I139 HydrophobicContact CB-CD1 3.8Å; A125-I155 HydrophobicContact CB-CD1 4.3Å; A125-I155 HydrophobicContact CB-CG1 4.32Å; A125-Q156 PolarHBondContact N-O 3.32Å; A125-C158 PolarHBondContact O-N 3.22Å
126N98.9Very high98.1Very high3 Ų334.7 Ų34.72%0.01621%0.206CC..EExtended strand (participates in β ladder)trans-86.3166.8-169.7-17229.6000112.2G28 V91 I92 S94 F124 C158 A160G28-N126 PolarHBondContact O-ND2 3.33Å; V91-N126 HydrophobicContact CG1-CB 3.67Å; I92-N126 WeakPolarHBondContact O-CA 3.49Å; I92-N126 VanDerWaalsContact O-CB 3.32Å; I92-N126 WeakPolarHBondContact O-CB 3.46Å; I92-N126 PolarHBondContact O-N 2.86Å; S94-N126 WeakPolarHBondContact CB-O 3.5Å; S94-N126 PolarHBondContact N-O 3.29Å; S94-N126 PolarHBondContact OG-N 3.12Å; S94-N126 PolarHBondContact OG-O 2.9Å; F124-N126 VanDerWaalsContact C-N 3.31Å; F124-N126 PolarHBondContact O-N 3.48Å; F124-N126 VanDerWaalsContact O-N 3.12Å; N126-C158 CarbonylContact C-O 3.54Å; N126-C158 WeakPolarHBondContact CA-O 3.16Å; N126-A160 WeakPolarHBondContact OD1-CB 3.41Å; N126-A160 PolarHBondContact OD1-N 2.91Å
127K98.6Very high98.2Very high37 Ų3738.3 Ų38.316%0.16123%0.231CC..  trans66.532.9-179.3-45.5-163.7-166.1173.70114.1N27 D93 D129 L130 A133 C158N27-K127 WeakPolarHBondContact O-CE 3.46Å; N27-K127 PolarHBondContact O-NZ 3.09Å; D93-K127 HydrophobicContact CB-CD 4.47Å; D93-K127 VanDerWaalsContact CG-CE 3.5Å; D93-K127 WeakPolarHBondContact OD1-CD 3.32Å; D93-K127 IonicContact OD1-NZ 2.8Å; D93-K127 VanDerWaalsContact OD2-CE 3.26Å; D93-K127 WeakPolarHBondContact OD2-CE 3.33Å; D93-K127 IonicContact OD2-NZ 3.15Å; D93-K127 PolarHBondContact OD2-NZ 2.91Å; K127-D129 WeakPolarHBondContact CA-OD1 3.22Å; K127-D129 PolarHBondContact O-N 3.27Å; K127-L130 HydrophobicContact CB-CD1 3.89Å; K127-L130 HydrophobicContact CB-CG 4.23Å; K127-L130 HydrophobicContact CD-CD1 4.1Å; K127-L130 WeakPolarHBondContact O-CB 3.45Å; K127-L130 PolarHBondContact O-N 3.18Å; K127-L130 VanDerWaalsContact O-N 3.08Å; K127-A133 WeakPolarHBondContact O-CB 3.36Å; K127-C158 PolarHBondContact N-O 2.77Å; K127-C158 VanDerWaalsContact N-O 3.14Å
128Q98.7Very high98.2Very high60 Ų6038.1 Ų38.128%0.2822%0.221SC..THydrogen-bonded Turntrans-67.5-9.1176.3-65.8-72.9-39.200113.2S94 A125 L130 A134 C158S94-Q128 PolarHBondContact OG-NE2 3.47Å; A125-Q128 WeakPolarHBondContact O-CG 3.41Å; Q128-L130 PolarHBondContact O-N 2.89Å; Q128-A134 PolarHBondContact NE2-O 3.06Å; Q128-C158 WeakPolarHBondContact CB-O 3.43Å; Q128-C158 WeakPolarHBondContact CG-O 3.42Å; Q128-C158 PolarHBondContact N-O 2.93Å; Q128-C158 VanDerWaalsContact N-O 3.12Å
129D98.4Very high98.4Very high68 Ų6836.8 Ų36.836%0.36421%0.207SC..THydrogen-bonded Turntrans-67.5-1716854.8-76.3000113.5K127 S159 T162K127-D129 WeakPolarHBondContact CA-OD1 3.22Å; K127-D129 PolarHBondContact O-N 3.27Å; D129-S159 VanDerWaalsContact CG-OG 3.32Å; D129-S159 WeakPolarHBondContact OD1-CB 3.44Å; D129-S159 PolarHBondContact OD1-OG 3.23Å; D129-T162 HydrophobicContact CB-CG2 4.27Å
130L98.2Very high98.4Very high71 Ų7137.2 Ų37.237%0.37221%0.211SC..SBendtrans-87.4134179.8-58.7179.5000111.5A95 K127 Q128 T132 A133A95-L130 HydrophobicContact CB-CB 4.25Å; A95-L130 HydrophobicContact CB-CD1 3.58Å; K127-L130 HydrophobicContact CB-CD1 3.89Å; K127-L130 HydrophobicContact CB-CG 4.23Å; K127-L130 HydrophobicContact CD-CD1 4.1Å; K127-L130 WeakPolarHBondContact O-CB 3.45Å; K127-L130 PolarHBondContact O-N 3.18Å; K127-L130 VanDerWaalsContact O-N 3.08Å; Q128-L130 PolarHBondContact O-N 2.89Å; L130-T132 PolarHBondContact O-N 3.4Å; L130-A133 WeakPolarHBondContact O-CB 3.21Å; L130-A133 PolarHBondContact O-N 3.12Å
131L97.1Very high98.3Very high184 Ų18443.7 Ų43.796%0.96324%0.241SC*.THydrogen-bonded Turntrans-59.6-22.7176.9-63.9176.3000113.8
132T97.4Very high98.2Very high95 Ų9546.5 Ų46.558%0.58327%0.27SS*.THydrogen-bonded Turntrans-89.3-2.1179.254.60000113.4A95 L130 A134A95-T132 WeakPolarHBondContact CB-OG1 3.34Å; L130-T132 PolarHBondContact O-N 3.4Å; T132-A134 PolarHBondContact O-N 2.82Å
133A98.5Very high98.1Very high18 Ų1847.8 Ų47.815%0.14928%0.277CS..PPolyproline II helixtrans-63.4130.3-178.200000111.5S94 K127 L130S94-A133 WeakPolarHBondContact O-CA 3.44Å; K127-A133 WeakPolarHBondContact O-CB 3.36Å; L130-A133 WeakPolarHBondContact O-CB 3.21Å; L130-A133 PolarHBondContact O-N 3.12Å
134A98.6Very high98Very high0 Ų051.8 Ų51.80%030%0.298CS..PPolyproline II helixtrans-69.6138.2168.300000110.2S94 F100 Q128 T132 I139S94-A134 PolarHBondContact O-N 3.14Å; F100-A134 HydrophobicContact CE2-CB 3.77Å; F100-A134 HydrophobicContact CZ-CB 3.71Å; Q128-A134 PolarHBondContact NE2-O 3.06Å; T132-A134 PolarHBondContact O-N 2.82Å; A134-I139 HydrophobicContact CB-CD1 4.25Å; A134-I139 HydrophobicContact CB-CG1 4.01Å
135P98.3Very high97.9Very high62 Ų6251.9 Ų51.940%0.40330%0.299SS..PPolyproline II helixtrans-59148.1172.4-22.833.8000111.5S137 E138 I139P135-S137 PolarHBondContact O-N 2.83Å; P135-S137 VanDerWaalsContact O-N 3.16Å; P135-E138 WeakPolarHBondContact CD-OE2 3.25Å; P135-E138 WeakPolarHBondContact O-CB 3.36Å; P135-E138 PolarHBondContact O-N 3.42Å; P135-I139 PolarHBondContact O-N 2.94Å; P135-I139 VanDerWaalsContact O-N 3.16Å
136A98.3Very high97.8Very high13 Ų1356.6 Ų56.611%0.10732%0.321CS..Hα-helixtrans-56.4-32.6176.500000113.1A125 I139 A140 I155 S157A125-A136 HydrophobicContact CB-CB 3.95Å; A136-I139 PolarHBondContact O-N 3.49Å; A136-A140 WeakPolarHBondContact O-CB 3.12Å; A136-A140 PolarHBondContact O-N 3.37Å; A136-I155 HydrophobicContact CB-CD1 4.1Å; A136-I155 HydrophobicContact CB-CG1 4.11Å; A136-I155 WeakPolarHBondContact O-CD1 3.32Å; A136-S157 VanDerWaalsContact CB-OG 3.25Å; A136-S157 WeakPolarHBondContact CB-OG 3.3Å
137S97.9Very high97.6Very high76 Ų7660.4 Ų60.453%0.53134%0.344SS..Hα-helixtrans-62.3-42.617554.10000112.4P135 A140 E141P135-S137 PolarHBondContact O-N 2.83Å; P135-S137 VanDerWaalsContact O-N 3.16Å; S137-A140 PolarHBondContact O-N 3.49Å; S137-E141 WeakPolarHBondContact O-CG 3.48Å; S137-E141 PolarHBondContact O-N 3.32Å
138E98Very high97.6Very high76 Ų7659.5 Ų59.536%0.35534%0.341SS..Hα-helixtrans-64.4-42.9177.6-169.6-170.1155.500110.9R97 P135 E141 G142R97-E138 IonicContact CZ-OE1 2.73Å; R97-E138 IonicContact CZ-OE2 2.76Å; R97-E138 IonicContact NH1-OE1 2.78Å; R97-E138 PolarHBondContact NH1-OE1 2.83Å; R97-E138 IonicContact NH1-OE2 2.74Å; R97-E138 IonicContact NH2-OE1 3.68Å; R97-E138 IonicContact NH2-OE2 3.18Å; R97-E138 PolarHBondContact NH2-OE2 3.23Å; P135-E138 WeakPolarHBondContact CD-OE2 3.25Å; P135-E138 WeakPolarHBondContact O-CB 3.36Å; P135-E138 PolarHBondContact O-N 3.42Å; E138-E141 PolarHBondContact O-N 3.29Å; E138-G142 PolarHBondContact O-N 3.41Å
139I98.4Very high97.4Very high1 Ų165.7 Ų65.71%0.00536%0.361CS..Hα-helixtrans-63.4-44.5175.7-64.1171.9000110.1I92 S94 F100 A125 A134 P135 A136 E141 G142 L143 I155I92-I139 HydrophobicContact CD1-CG2 3.87Å; I92-I139 HydrophobicContact CG2-CD1 4.49Å; S94-I139 WeakPolarHBondContact OG-CD1 3.29Å; F100-I139 HydrophobicContact CE2-CG1 4.15Å; F100-I139 HydrophobicContact CZ-CD1 4.34Å; F100-I139 HydrophobicContact CZ-CG1 4.1Å; A125-I139 HydrophobicContact CB-CD1 3.8Å; A134-I139 HydrophobicContact CB-CD1 4.25Å; A134-I139 HydrophobicContact CB-CG1 4.01Å; P135-I139 PolarHBondContact O-N 2.94Å; P135-I139 VanDerWaalsContact O-N 3.16Å; A136-I139 PolarHBondContact O-N 3.49Å; I139-E141 VanDerWaalsContact C-N 3.33Å; I139-E141 PolarHBondContact O-N 3.18Å; I139-G142 PolarHBondContact O-N 3.12Å; I139-L143 HydrophobicContact CG2-CD1 3.77Å; I139-L143 WeakPolarHBondContact O-CB 3.43Å; I139-L143 WeakPolarHBondContact O-CD1 3.43Å; I139-L143 PolarHBondContact O-N 2.99Å; I139-I155 HydrophobicContact CB-CD1 4.16Å; I139-I155 HydrophobicContact CG2-CD1 3.94Å
140A98.2Very high97.3Very high15 Ų1566.7 Ų66.712%0.12437%0.367CS..Hα-helixtrans-62.5-39.9179.900000113A136 S137 N144 L145 I155A136-A140 WeakPolarHBondContact O-CB 3.12Å; A136-A140 PolarHBondContact O-N 3.37Å; S137-A140 PolarHBondContact O-N 3.49Å; A140-N144 PolarHBondContact O-N 3.03Å; A140-L145 HydrophobicContact CB-CD1 4.04Å; A140-L145 HydrophobicContact CB-CG 4.43Å; A140-L145 PolarHBondContact O-N 2.74Å; A140-I155 HydrophobicContact CB-CD1 4.16Å; A140-I155 HydrophobicContact CB-CG2 4.24Å
141E97.4Very high97.2Very high138 Ų13864.3 Ų64.365%0.64535%0.353SS*.Hα-helixtrans-66.9-50.6174-73.2174.1-167.800111S137 E138 I139 L143 N144S137-E141 WeakPolarHBondContact O-CG 3.48Å; S137-E141 PolarHBondContact O-N 3.32Å; E138-E141 PolarHBondContact O-N 3.29Å; I139-E141 VanDerWaalsContact C-N 3.33Å; I139-E141 PolarHBondContact O-N 3.18Å; E141-L143 VanDerWaalsContact C-N 3.3Å; E141-L143 PolarHBondContact O-N 3.05Å; E141-N144 PolarHBondContact O-N 3.38Å; E141-N144 PolarHBondContact O-OD1 3Å
142G96Very high97.2Very high59 Ų5959.4 Ų59.461%0.60833%0.326SS*.Hα-helixtrans-62.5-33.2-177.600000114.1E138 I139 N144E138-G142 PolarHBondContact O-N 3.41Å; I139-G142 PolarHBondContact O-N 3.12Å; G142-N144 VanDerWaalsContact C-N 3.33Å
143L95.9Very high97.2Very high27 Ų2758.4 Ų58.414%0.14131%0.311CS..THydrogen-bonded Turntrans-90.93.5175.7-7777.4000112.8I92 T103 L107 I139 E141 L145I92-L143 HydrophobicContact CD1-CD2 3.53Å; T103-L143 HydrophobicContact CG2-CD2 4.49Å; L107-L143 HydrophobicContact CD2-CD2 3.88Å; I139-L143 HydrophobicContact CG2-CD1 3.77Å; I139-L143 WeakPolarHBondContact O-CB 3.43Å; I139-L143 WeakPolarHBondContact O-CD1 3.43Å; I139-L143 PolarHBondContact O-N 2.99Å; E141-L143 VanDerWaalsContact C-N 3.3Å; E141-L143 PolarHBondContact O-N 3.05Å; L143-L145 HydrophobicContact CB-CD2 3.81Å; L143-L145 HydrophobicContact CB-CG 4.08Å; L143-L145 PolarHBondContact O-N 2.73Å
144N96.4Very high97.2Very high85 Ų8561 Ų6146%0.45532%0.32SS..THydrogen-bonded Turntrans5236.8-178.1-63.2-61.8000113.3A140 E141 G142 H146 T147A140-N144 PolarHBondContact O-N 3.03Å; E141-N144 PolarHBondContact O-N 3.38Å; E141-N144 PolarHBondContact O-OD1 3Å; G142-N144 VanDerWaalsContact C-N 3.33Å; N144-H146 PolarHBondContact O-N 2.78Å; N144-T147 HydrophobicContact CB-CG2 3.99Å; N144-T147 WeakPolarHBondContact O-CB 3.41Å; N144-T147 PolarHBondContact O-N 3.4Å; N144-T147 PolarHBondContact O-OG1 2.9Å
145L97.4Very high97.2Very high2 Ų262.2 Ų62.21%0.0133%0.327CS..G310 helixtrans-58.8-27.5-175.9-58.7-174.3000112.4L107 I123 A140 L143 T147 I148 W153 I155L107-L145 HydrophobicContact CD2-CD2 3.73Å; I123-L145 HydrophobicContact CD1-CD1 4.06Å; I123-L145 HydrophobicContact CD1-CD2 4.5Å; I123-L145 HydrophobicContact CG1-CD1 4.17Å; A140-L145 HydrophobicContact CB-CD1 4.04Å; A140-L145 HydrophobicContact CB-CG 4.43Å; A140-L145 PolarHBondContact O-N 2.74Å; L143-L145 HydrophobicContact CB-CD2 3.81Å; L143-L145 HydrophobicContact CB-CG 4.08Å; L143-L145 PolarHBondContact O-N 2.73Å; L145-T147 PolarHBondContact O-N 3.42Å; L145-T147 VanDerWaalsContact O-N 3.09Å; L145-I148 HydrophobicContact CB-CD1 4.37Å; L145-I148 HydrophobicContact CD2-CD1 4.08Å; L145-I148 WeakPolarHBondContact O-CB 3.4Å; L145-I148 WeakPolarHBondContact O-CG1 3.28Å; L145-I148 PolarHBondContact O-N 2.96Å; L145-I148 VanDerWaalsContact O-N 3.15Å; L145-W153 HydrophobicContact CB-CD2 4.39Å; L145-W153 HydrophobicContact CB-CE3 4.06Å; L145-W153 HydrophobicContact CB-CH2 3.82Å; L145-W153 HydrophobicContact CB-CZ2 4.15Å; L145-W153 HydrophobicContact CB-CZ3 3.77Å; L145-W153 HydrophobicContact CD1-CE3 4.26Å; L145-W153 HydrophobicContact CD1-CZ3 3.99Å; L145-W153 VanDerWaalsContact O-CE2 3.32Å; L145-W153 WeakPolarHBondContact O-CZ2 3.46Å; L145-W153 PolarHBondContact O-NE1 3.24Å; L145-I155 HydrophobicContact CD1-CB 4.22Å; L145-I155 HydrophobicContact CD1-CD1 3.95Å
146H96.1Very high97.3Very high99 Ų9961.1 Ų61.146%0.45832%0.316SS..G310 helixtrans-63.6-717473.3-86.3000114.3N144 R149N144-H146 PolarHBondContact O-N 2.78Å; H146-R149 PolarHBondContact O-NH1 3.44Å; H146-R149 PolarHBondContact O-NH2 3.31Å
147T96.6Very high97.3Very high82 Ų8262.7 Ų62.750%0.50333%0.326SS..G310 helixtrans-94.2-9.7175.568.60000112.9N144 L145 R149N144-T147 HydrophobicContact CB-CG2 3.99Å; N144-T147 WeakPolarHBondContact O-CB 3.41Å; N144-T147 PolarHBondContact O-N 3.4Å; N144-T147 PolarHBondContact O-OG1 2.9Å; L145-T147 PolarHBondContact O-N 3.42Å; L145-T147 VanDerWaalsContact O-N 3.09Å; T147-R149 WeakPolarHBondContact O-CG 3.4Å; T147-R149 PolarHBondContact O-N 2.88Å
148I97.2Very high97.3Very high19 Ų1959.2 Ų59.210%0.09730%0.302CS..  trans-66.9126.8175.9-57.1170000108.7L111 L145 R151 W153L111-I148 HydrophobicContact CD1-CD1 3.51Å; L111-I148 HydrophobicContact CD1-CG1 3.86Å; L145-I148 HydrophobicContact CB-CD1 4.37Å; L145-I148 HydrophobicContact CD2-CD1 4.08Å; L145-I148 WeakPolarHBondContact O-CB 3.4Å; L145-I148 WeakPolarHBondContact O-CG1 3.28Å; L145-I148 PolarHBondContact O-N 2.96Å; L145-I148 VanDerWaalsContact O-N 3.15Å; I148-R151 HydrophobicContact CG2-CG 3.62Å; I148-W153 HydrophobicContact CB-CG 4.46Å; I148-W153 HydrophobicContact CD1-CB 4.48Å; I148-W153 HydrophobicContact CD1-CG 4.26Å
149R95.3Very high97.3Very high189 Ų18955.6 Ų55.671%0.71329%0.285SS*.  trans-129.9-22.9-173.5-67-70.4173.9-89.3-4.1114.3H146 T147H146-R149 PolarHBondContact O-NH1 3.44Å; H146-R149 PolarHBondContact O-NH2 3.31Å; T147-R149 WeakPolarHBondContact O-CG 3.4Å; T147-R149 PolarHBondContact O-N 2.88Å
150D95Very high97.3Very high89 Ų8955.7 Ų55.748%0.47629%0.286SS..SBendtrans-90.2-7.3-17170.3-43.8000113.3
151R96.8Very high97.3Very high22 Ų2260.2 Ų60.28%0.08331%0.308CS..SBendtrans-149.5161.2-179.568.3-162.167.7-175.1-2.3112.2L111 L116 V119 V121 I148L111-R151 PolarHBondContact O-NH1 3.02Å; L111-R151 PolarHBondContact O-NH2 3.37Å; L116-R151 PolarHBondContact O-NH1 3.22Å; V119-R151 WeakPolarHBondContact O-CD 3.45Å; V121-R151 HydrophobicContact CG1-CG 4.43Å; I148-R151 HydrophobicContact CG2-CG 3.62Å
152M97.1Very high97.3Very high81 Ų8157.5 Ų57.540%0.39930%0.301SS..  trans-70.8140.2167.1-68.1-176.4-69.500110.2P120 V121 W172P120-M152 WeakPolarHBondContact CA-O 3.34Å; P120-M152 HydrophobicContact CB-CB 4.37Å; P120-M152 HydrophobicContact CB-CE 4.46Å; P120-M152 HydrophobicContact CG-CE 3.87Å; V121-M152 PolarHBondContact N-O 3.2Å; M152-W172 HydrophobicContact CB-CZ2 4.15Å
153W98.3Very high97.3Very high73 Ų7355.8 Ų55.828%0.27728%0.283SS..EExtended strand (participates in β ladder)trans-140.6159172.969-89.9000111.6V121 I123 L145 I148 I155 W172V121-W153 HydrophobicContact CG1-CB 3.47Å; V121-W153 VanDerWaalsContact CG1-CB 3.47Å; V121-W153 CarbonylContact O-C 3.6Å; V121-W153 WeakPolarHBondContact O-CA 3.16Å; I123-W153 HydrophobicContact CD1-CE3 4.44Å; L145-W153 HydrophobicContact CB-CD2 4.39Å; L145-W153 HydrophobicContact CB-CE3 4.06Å; L145-W153 HydrophobicContact CB-CH2 3.82Å; L145-W153 HydrophobicContact CB-CZ2 4.15Å; L145-W153 HydrophobicContact CB-CZ3 3.77Å; L145-W153 HydrophobicContact CD1-CE3 4.26Å; L145-W153 HydrophobicContact CD1-CZ3 3.99Å; L145-W153 VanDerWaalsContact O-CE2 3.32Å; L145-W153 WeakPolarHBondContact O-CZ2 3.46Å; L145-W153 PolarHBondContact O-NE1 3.24Å; I148-W153 HydrophobicContact CB-CG 4.46Å; I148-W153 HydrophobicContact CD1-CB 4.48Å; I148-W153 HydrophobicContact CD1-CG 4.26Å; W153-I155 HydrophobicContact CZ3-CB 4.3Å; W153-I155 HydrophobicContact CZ3-CG2 4.1Å; W153-W172 VanDerWaalsContact C-CZ2 3.45Å
154Q98.6Very high97.4Very high72 Ų7261.6 Ų61.634%0.33631%0.31SS..EExtended strand (participates in β ladder)trans-147.1143.7171.4176.570-11.900108.9V121 L122 I123 W172V121-Q154 PolarHBondContact O-N 3.06Å; L122-Q154 WeakPolarHBondContact CA-O 3.47Å; L122-Q154 HydrophobicContact CD1-CB 4Å; L122-Q154 HydrophobicContact CD1-CG 3.97Å; I123-Q154 WeakPolarHBondContact CD1-O 3.47Å; I123-Q154 PolarHBondContact N-O 2.79Å; Q154-W172 HydrophobicContact CB-CD2 3.54Å; Q154-W172 HydrophobicContact CB-CE3 4.1Å; Q154-W172 HydrophobicContact CB-CG 3.85Å; Q154-W172 HydrophobicContact CB-CH2 4.28Å; Q154-W172 HydrophobicContact CB-CZ2 3.75Å; Q154-W172 HydrophobicContact CB-CZ3 4.44Å; Q154-W172 HydrophobicContact CG-CB 4.47Å; Q154-W172 HydrophobicContact CG-CD2 4.16Å; Q154-W172 HydrophobicContact CG-CG 3.95Å
155I98.8Very high97.5Very high27 Ų2758 Ų5814%0.13829%0.292CS..EExtended strand (participates in β ladder)trans-107.9137.9163.7-169.4165000109.5I123 A125 A136 I139 A140 L145 W153I123-I155 HydrophobicContact CB-CB 4.33Å; I123-I155 HydrophobicContact CB-CG1 4.1Å; I123-I155 HydrophobicContact CG2-CD1 4.16Å; I123-I155 HydrophobicContact CG2-CG1 4.12Å; I123-I155 CarbonylContact O-C 3.42Å; I123-I155 VanDerWaalsContact O-CA 3.31Å; I123-I155 WeakPolarHBondContact O-CA 3.26Å; A125-I155 HydrophobicContact CB-CD1 4.3Å; A125-I155 HydrophobicContact CB-CG1 4.32Å; A136-I155 HydrophobicContact CB-CD1 4.1Å; A136-I155 HydrophobicContact CB-CG1 4.11Å; A136-I155 WeakPolarHBondContact O-CD1 3.32Å; I139-I155 HydrophobicContact CB-CD1 4.16Å; I139-I155 HydrophobicContact CG2-CD1 3.94Å; A140-I155 HydrophobicContact CB-CD1 4.16Å; A140-I155 HydrophobicContact CB-CG2 4.24Å; L145-I155 HydrophobicContact CD1-CB 4.22Å; L145-I155 HydrophobicContact CD1-CD1 3.95Å; W153-I155 HydrophobicContact CZ3-CB 4.3Å; W153-I155 HydrophobicContact CZ3-CG2 4.1Å
156Q98.8Very high97.5Very high39 Ų3958.3 Ų58.318%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-133.1121.1-179.7179.959.459.700109.6L122 I123 F124 A125 G165L122-Q156 HydrophobicContact CD1-CB 4.07Å; I123-Q156 PolarHBondContact O-N 2.96Å; F124-Q156 WeakPolarHBondContact CA-O 3.32Å; F124-Q156 HydrophobicContact CD1-CB 3.96Å; F124-Q156 HydrophobicContact CD1-CG 4.06Å; F124-Q156 HydrophobicContact CE1-CB 3.99Å; F124-Q156 HydrophobicContact CE1-CG 3.73Å; A125-Q156 PolarHBondContact N-O 3.32Å; Q156-G165 WeakPolarHBondContact CG-O 3.2Å
157S98.8Very high97.4Very high45 Ų4558.1 Ų58.132%0.31529%0.293SS..EExtended strand (participates in β ladder)trans-62.2131.9165.7-69.10000109.5A136 G165A136-S157 VanDerWaalsContact CB-OG 3.25Å; A136-S157 WeakPolarHBondContact CB-OG 3.3Å; S157-G165 WeakPolarHBondContact O-CA 3.39Å
158C98.8Very high97.4Very high3 Ų359 Ų592%0.0229%0.292CS..  trans-151166.7174.174.40000113.4F124 A125 N126 K127 Q128 E164 I166F124-C158 HydrophobicContact CD1-CB 3.68Å; F124-C158 WeakPolarHBondContact CD1-SG 3.19Å; F124-C158 HydrophobicContact CE1-CB 3.93Å; A125-C158 PolarHBondContact O-N 3.22Å; N126-C158 CarbonylContact C-O 3.54Å; N126-C158 WeakPolarHBondContact CA-O 3.16Å; K127-C158 PolarHBondContact N-O 2.77Å; K127-C158 VanDerWaalsContact N-O 3.14Å; Q128-C158 WeakPolarHBondContact CB-O 3.43Å; Q128-C158 WeakPolarHBondContact CG-O 3.42Å; Q128-C158 PolarHBondContact N-O 2.93Å; Q128-C158 VanDerWaalsContact N-O 3.12Å; C158-E164 CarbonylContact C-O 3.44Å; C158-E164 WeakPolarHBondContact CA-O 2.95Å; C158-E164 VanDerWaalsContact CB-O 3.25Å; C158-E164 WeakPolarHBondContact CB-O 3.28Å; C158-I166 HydrophobicContact CB-CG1 4.3Å
159S98.6Very high97.4Very high1 Ų158.1 Ų58.11%0.00729%0.287CS..  trans-126.1112.3160.8174.60000109.2D129 L161 T162 G163 E164D129-S159 VanDerWaalsContact CG-OG 3.32Å; D129-S159 WeakPolarHBondContact OD1-CB 3.44Å; D129-S159 PolarHBondContact OD1-OG 3.23Å; S159-L161 PolarHBondContact O-N 3.07Å; S159-L161 PolarHBondContact OG-N 2.85Å; S159-T162 VanDerWaalsContact CB-OG1 3.3Å; S159-T162 WeakPolarHBondContact CB-OG1 3.34Å; S159-T162 PolarHBondContact O-N 2.92Å; S159-T162 PolarHBondContact OG-N 2.94Å; S159-T162 PolarHBondContact OG-OG1 2.78Å; S159-G163 CarbonylContact O-C 3.57Å; S159-G163 WeakPolarHBondContact O-CA 3.44Å; S159-G163 PolarHBondContact O-N 2.65Å; S159-E164 PolarHBondContact N-O 3.08Å
160A98.1Very high97.4Very high2 Ų249.2 Ų49.22%0.01725%0.253CS..THydrogen-bonded Turntrans-61.6-22.5171.400000112.5T32 L33 N126T32-A160 HydrophobicContact CG2-CB 3.89Å; L33-A160 HydrophobicContact CB-CB 4.08Å; N126-A160 WeakPolarHBondContact OD1-CB 3.41Å; N126-A160 PolarHBondContact OD1-N 2.91Å
161L97.3Very high97.3Very high110 Ų11047.2 Ų47.258%0.57624%0.243SC*.THydrogen-bonded Turntrans-77.3-46.4178.8179.164.1000111.7I42 S159I42-L161 HydrophobicContact CD1-CD1 3.99Å; I42-L161 WeakPolarHBondContact CD1-O 3.47Å; S159-L161 PolarHBondContact O-N 3.07Å; S159-L161 PolarHBondContact OG-N 2.85Å
162T97.3Very high97.3Very high82 Ų8248.4 Ų48.450%0.50325%0.247SC..THydrogen-bonded Turntrans-90.7-21.7-177.371.10000112.9D129 S159 E164D129-T162 HydrophobicContact CB-CG2 4.27Å; S159-T162 VanDerWaalsContact CB-OG1 3.3Å; S159-T162 WeakPolarHBondContact CB-OG1 3.34Å; S159-T162 PolarHBondContact O-N 2.92Å; S159-T162 PolarHBondContact OG-N 2.94Å; S159-T162 PolarHBondContact OG-OG1 2.78Å; T162-E164 WeakPolarHBondContact OG1-CB 3.39Å; T162-E164 PolarHBondContact OG1-N 2.83Å
163G97.1Very high97.1Very high23 Ų2344.5 Ų44.524%0.23723%0.228CC..  trans92.4-10.1-173.400000114.6S159 I166S159-G163 CarbonylContact O-C 3.57Å; S159-G163 WeakPolarHBondContact O-CA 3.44Å; S159-G163 PolarHBondContact O-N 2.65Å; G163-I166 PolarHBondContact O-N 3.31Å
164E98.2Very high96.8Very high149 Ų14941.2 Ų41.270%0.69622%0.216SC*.THydrogen-bonded Turntrans-63.3138.1-176.5-171.1178.7175.800111.9C158 S159 T162 I166C158-E164 CarbonylContact C-O 3.44Å; C158-E164 WeakPolarHBondContact CA-O 2.95Å; C158-E164 VanDerWaalsContact CB-O 3.25Å; C158-E164 WeakPolarHBondContact CB-O 3.28Å; S159-E164 PolarHBondContact N-O 3.08Å; T162-E164 WeakPolarHBondContact OG1-CB 3.39Å; T162-E164 PolarHBondContact OG1-N 2.83Å; E164-I166 PolarHBondContact O-N 2.88Å; E164-I166 VanDerWaalsContact O-N 3.17Å
165G98Very high96.4Very high8 Ų844.6 Ų44.68%0.08223%0.23CC..THydrogen-bonded Turntrans78.4-12.3176.400000115.3Q156 S157 E168 G169Q156-G165 WeakPolarHBondContact CG-O 3.2Å; S157-G165 WeakPolarHBondContact O-CA 3.39Å; G165-E168 WeakPolarHBondContact CA-OE2 3.1Å; G165-E168 PolarHBondContact N-OE2 3.17Å; G165-G169 PolarHBondContact O-N 2.59Å
166I96.8Very high96Very high9 Ų943.5 Ų43.55%0.04622%0.224CC..Hα-helixtrans-67.3-46.2-178-61.9174.2000110.5L33 Q36 L37 F124 C158 G163 E164 E168 G169 M170L33-I166 HydrophobicContact CD1-CB 4.43Å; L33-I166 HydrophobicContact CD1-CD1 3.75Å; L33-I166 HydrophobicContact CD1-CG1 3.7Å; L33-I166 HydrophobicContact CD1-CG2 3.94Å; Q36-I166 HydrophobicContact CB-CD1 3.98Å; Q36-I166 HydrophobicContact CG-CD1 3.49Å; Q36-I166 VanDerWaalsContact CG-CD1 3.49Å; L37-I166 HydrophobicContact CD2-CG2 3.35Å; L37-I166 HydrophobicContact CG-CG2 3.97Å; F124-I166 HydrophobicContact CZ-CG2 4.48Å; C158-I166 HydrophobicContact CB-CG1 4.3Å; G163-I166 PolarHBondContact O-N 3.31Å; E164-I166 PolarHBondContact O-N 2.88Å; E164-I166 VanDerWaalsContact O-N 3.17Å; I166-E168 VanDerWaalsContact C-N 3.3Å; I166-E168 PolarHBondContact O-N 2.68Å; I166-G169 PolarHBondContact O-N 3.48Å; I166-M170 HydrophobicContact CG2-CG 4.28Å; I166-M170 WeakPolarHBondContact O-CG 3.45Å; I166-M170 PolarHBondContact O-N 3.26Å
167Q94.4Very high95.4Very high96 Ų9642.1 Ų42.145%0.44922%0.218SC..Hα-helixtrans-63-39.5-176.3-173.959.363.200111.2M170 N171Q167-M170 PolarHBondContact O-N 3.39Å; Q167-N171 PolarHBondContact NE2-OD1 2.71Å; Q167-N171 WeakPolarHBondContact O-CB 3.39Å; Q167-N171 PolarHBondContact O-N 2.88Å; Q167-N171 PolarHBondContact O-ND2 3.2Å; Q167-N171 PolarHBondContact O-OD1 3.18Å
168E96.6Very high94.4Very high101 Ų10143.6 Ų43.647%0.47222%0.223SC..Hα-helixtrans-60.5-45.2176-67.176.6-172.400111.5G165 I166 N171 W172G165-E168 WeakPolarHBondContact CA-OE2 3.1Å; G165-E168 PolarHBondContact N-OE2 3.17Å; I166-E168 VanDerWaalsContact C-N 3.3Å; I166-E168 PolarHBondContact O-N 2.68Å; E168-N171 WeakPolarHBondContact O-CB 3.45Å; E168-N171 PolarHBondContact O-N 2.86Å; E168-W172 PolarHBondContact O-N 2.6Å
169G97.1Very high93.2Very high0 Ų046.7 Ų46.70%024%0.244CC..Hα-helixtrans-61.2-46.1174.100000111.9G165 I166 N171 W172 V173G165-G169 PolarHBondContact O-N 2.59Å; I166-G169 PolarHBondContact O-N 3.48Å; G169-N171 VanDerWaalsContact C-N 3.33Å; G169-N171 PolarHBondContact O-N 3.29Å; G169-W172 WeakPolarHBondContact O-CB 3.45Å; G169-W172 PolarHBondContact O-N 2.85Å; G169-W172 VanDerWaalsContact O-N 3.1Å; G169-V173 PolarHBondContact O-N 3Å
170M95Very high91.5Very high1 Ų151.9 Ų51.91%0.00527%0.267CS..Hα-helixtrans-67-32.7178.8-63.2-46.7-64.300113.1I20 L37 L63 I89 I166 Q167 W172 V173 C174I20-M170 HydrophobicContact CD1-CE 3.95Å; L37-M170 HydrophobicContact CD1-SD 4.13Å; L37-M170 HydrophobicContact CD2-CG 3.51Å; L37-M170 HydrophobicContact CD2-SD 4.06Å; L63-M170 HydrophobicContact CD1-CE 3.37Å; I89-M170 HydrophobicContact CD1-CE 4.46Å; I89-M170 HydrophobicContact CD1-SD 4.03Å; I166-M170 HydrophobicContact CG2-CG 4.28Å; I166-M170 WeakPolarHBondContact O-CG 3.45Å; I166-M170 PolarHBondContact O-N 3.26Å; Q167-M170 PolarHBondContact O-N 3.39Å; M170-W172 PolarHBondContact O-N 3.3Å; M170-V173 HydrophobicContact CE-CB 4.33Å; M170-V173 HydrophobicContact CE-CG1 4.3Å; M170-V173 HydrophobicContact CE-CG2 4.4Å; M170-V173 WeakPolarHBondContact O-CB 3.12Å; M170-V173 PolarHBondContact O-N 2.67Å; M170-V173 VanDerWaalsContact O-N 3.16Å; M170-V173 HydrophobicContact SD-CG2 4.32Å; M170-C174 PolarHBondContact O-N 2.96Å; M170-C174 PolarHBondContact O-SG 3.42Å
171N93.5Very high89.5Confident48 Ų4858.2 Ų58.226%0.25729%0.294SS..Hα-helixtrans-59.4-39.7171.9-64.1-13.8000111Q59 Q167 E168 G169 K175Q59-N171 PolarHBondContact NE2-OD1 3.03Å; Q167-N171 PolarHBondContact NE2-OD1 2.71Å; Q167-N171 WeakPolarHBondContact O-CB 3.39Å; Q167-N171 PolarHBondContact O-N 2.88Å; Q167-N171 PolarHBondContact O-ND2 3.2Å; Q167-N171 PolarHBondContact O-OD1 3.18Å; E168-N171 WeakPolarHBondContact O-CB 3.45Å; E168-N171 PolarHBondContact O-N 2.86Å; G169-N171 VanDerWaalsContact C-N 3.33Å; G169-N171 PolarHBondContact O-N 3.29Å; N171-K175 VanDerWaalsContact O-CG 3.3Å; N171-K175 WeakPolarHBondContact O-CG 3.5Å; N171-K175 PolarHBondContact O-N 3.45Å
172W95.9Very high86.8Confident46 Ų4664.7 Ų64.717%0.17432%0.318CS..Hα-helixtrans-67.2-41.717518092.8000111.6P120 V121 L122 M152 W153 Q154 E168 G169 M170 C174 K175 S176P120-W172 HydrophobicContact CB-CH2 3.88Å; P120-W172 HydrophobicContact CB-CZ3 4.41Å; V121-W172 WeakPolarHBondContact O-CH2 3.12Å; L122-W172 HydrophobicContact CB-CE3 3.93Å; L122-W172 HydrophobicContact CB-CZ3 3.7Å; L122-W172 HydrophobicContact CD1-CE3 4.16Å; L122-W172 HydrophobicContact CG-CE3 4.49Å; M152-W172 HydrophobicContact CB-CZ2 4.15Å; W153-W172 VanDerWaalsContact C-CZ2 3.45Å; Q154-W172 HydrophobicContact CB-CD2 3.54Å; Q154-W172 HydrophobicContact CB-CE3 4.1Å; Q154-W172 HydrophobicContact CB-CG 3.85Å; Q154-W172 HydrophobicContact CB-CH2 4.28Å; Q154-W172 HydrophobicContact CB-CZ2 3.75Å; Q154-W172 HydrophobicContact CB-CZ3 4.44Å; Q154-W172 HydrophobicContact CG-CB 4.47Å; Q154-W172 HydrophobicContact CG-CD2 4.16Å; Q154-W172 HydrophobicContact CG-CG 3.95Å; E168-W172 PolarHBondContact O-N 2.6Å; G169-W172 WeakPolarHBondContact O-CB 3.45Å; G169-W172 PolarHBondContact O-N 2.85Å; G169-W172 VanDerWaalsContact O-N 3.1Å; M170-W172 PolarHBondContact O-N 3.3Å; W172-C174 PolarHBondContact O-N 2.88Å; W172-K175 PolarHBondContact O-N 3.37Å; W172-S176 PolarHBondContact O-N 3.22Å; W172-S176 PolarHBondContact O-OG 2.84Å
173V94.3Very high86.3Confident0 Ų063.8 Ų63.80%031%0.308CS..Hα-helixtrans-55-53174.8171.80000110.8I20 V87 I89 L122 G169 M170 K175 S176 V177I20-V173 HydrophobicContact CD1-CG1 3.94Å; V87-V173 HydrophobicContact CB-CG1 4.41Å; V87-V173 HydrophobicContact CG1-CG1 4.18Å; V87-V173 HydrophobicContact CG1-CG2 4.19Å; V87-V173 HydrophobicContact CG2-CG1 4.16Å; I89-V173 HydrophobicContact CD1-CG2 4.32Å; L122-V173 HydrophobicContact CB-CG2 4.34Å; L122-V173 HydrophobicContact CD2-CG2 3.71Å; G169-V173 PolarHBondContact O-N 3Å; M170-V173 HydrophobicContact CE-CB 4.33Å; M170-V173 HydrophobicContact CE-CG1 4.3Å; M170-V173 HydrophobicContact CE-CG2 4.4Å; M170-V173 WeakPolarHBondContact O-CB 3.12Å; M170-V173 PolarHBondContact O-N 2.67Å; M170-V173 VanDerWaalsContact O-N 3.16Å; M170-V173 HydrophobicContact SD-CG2 4.32Å; V173-K175 VanDerWaalsContact C-N 3.28Å; V173-K175 PolarHBondContact O-N 2.8Å; V173-S176 PolarHBondContact O-N 2.98Å; V173-S176 PolarHBondContact O-OG 3.23Å; V173-V177 WeakPolarHBondContact O-CG2 3.25Å; V173-V177 PolarHBondContact O-N 3.1Å; V173-V177 VanDerWaalsContact O-N 3.14Å
174C90.4Very high85.8Confident4 Ų465.9 Ų65.93%0.02731%0.312CS..Hα-helixtrans-59-36.9179.3-670000112.8F61 M170 W172 N178F61-C174 HydrophobicContact CD2-CB 4.09Å; F61-C174 HydrophobicContact CE2-CB 3.85Å; M170-C174 PolarHBondContact O-N 2.96Å; M170-C174 PolarHBondContact O-SG 3.42Å; W172-C174 PolarHBondContact O-N 2.88Å; C174-N178 PolarHBondContact O-N 3.03Å; C174-N178 PolarHBondContact O-ND2 3.33Å
175K91.1Very high85.1Confident143 Ų14361.3 Ų61.362%0.62229%0.291SS*.Hα-helixtrans-70.8-41.2177-71.8172.8-176.6178.50113N171 W172 V173 V177 N178 S179N171-K175 VanDerWaalsContact O-CG 3.3Å; N171-K175 WeakPolarHBondContact O-CG 3.5Å; N171-K175 PolarHBondContact O-N 3.45Å; W172-K175 PolarHBondContact O-N 3.37Å; V173-K175 VanDerWaalsContact C-N 3.28Å; V173-K175 PolarHBondContact O-N 2.8Å; K175-V177 VanDerWaalsContact C-N 3.35Å; K175-N178 PolarHBondContact O-N 3.11Å; K175-S179 PolarHBondContact O-N 3.05Å; K175-S179 PolarHBondContact O-OG 3.04Å
176S90.9Very high84.3Confident3 Ų364.5 Ų64.52%0.02130%0.303CS..Hα-helixtrans-64.4-40.2-179.868.80000111.8W172 V173 N178 S179 K180W172-S176 PolarHBondContact O-N 3.22Å; W172-S176 PolarHBondContact O-OG 2.84Å; V173-S176 PolarHBondContact O-N 2.98Å; V173-S176 PolarHBondContact O-OG 3.23Å; S176-N178 PolarHBondContact O-N 3.23Å; S176-S179 PolarHBondContact O-N 2.89Å; S176-K180 PolarHBondContact O-N 3.27Å
177V86.4Confident83.5Confident10 Ų1067.9 Ų67.96%0.06132%0.319CS..Hα-helixtrans-62-42.3176.6171.90000111.8V18 F61 V87 V173 K175 S179 K180V18-V177 HydrophobicContact CG1-CG2 3.69Å; V18-V177 HydrophobicContact CG2-CG1 3.86Å; V18-V177 HydrophobicContact CG2-CG2 4.25Å; F61-V177 HydrophobicContact CE1-CG1 4.17Å; V87-V177 HydrophobicContact CG2-CG2 3.52Å; V173-V177 WeakPolarHBondContact O-CG2 3.25Å; V173-V177 PolarHBondContact O-N 3.1Å; V173-V177 VanDerWaalsContact O-N 3.14Å; K175-V177 VanDerWaalsContact C-N 3.35Å; V177-S179 VanDerWaalsContact C-N 3.26Å; V177-S179 PolarHBondContact O-N 2.93Å; V177-K180 PolarHBondContact O-N 3.3Å
178N76.9Confident82.8Confident76 Ų7666.1 Ų66.141%0.40631%0.31SS..Hα-helixtrans-65.7-29.3177.6-78.2-28.6000113.2F61 C174 K175 S176F61-N178 WeakPolarHBondContact CZ-OD1 3.23Å; C174-N178 PolarHBondContact O-N 3.03Å; C174-N178 PolarHBondContact O-ND2 3.33Å; K175-N178 PolarHBondContact O-N 3.11Å; S176-N178 PolarHBondContact O-N 3.23Å
179S72.6Confident81.8Confident68 Ų6863.6 Ų63.648%0.47630%0.299SS..Hα-helixtrans-76.4-30.3-178.9-55.60000112.2K175 S176 V177 K181K175-S179 PolarHBondContact O-N 3.05Å; K175-S179 PolarHBondContact O-OG 3.04Å; S176-S179 PolarHBondContact O-N 2.89Å; V177-S179 VanDerWaalsContact C-N 3.26Å; V177-S179 PolarHBondContact O-N 2.93Å; S179-K181 VanDerWaalsContact C-N 3.27Å; S179-K181 PolarHBondContact O-N 2.68Å
180K63.3Low80.6Confident110 Ų11068.5 Ų68.548%0.47832%0.322SS..Hα-helixtrans-70.6-20.5176.9-163.9179.8-177.8-178.10113.6S176 V177S176-K180 PolarHBondContact O-N 3.27Å; V177-K180 PolarHBondContact O-N 3.3Å
181K55.9Low79.4Confident136 Ų13674.1 Ų74.159%0.59135%0.348SS*.THydrogen-bonded Turntrans-95.5-4.5-177.1-68.4-164.9177.2-1730114.5S179S179-K181 VanDerWaalsContact C-N 3.27Å; S179-K181 PolarHBondContact O-N 2.68Å
182K42Very low78.2Confident245 Ų24576.5 Ų76.5100%1.06536%0.356SS*.  trans-92.20170.9-78-173.1174.9-177.60109.8

Retrieved 182 of 182 residues in 40.9 ms (Link to these results)

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