A0A060YEI6_ONCMY Loading...

Ubiquitin-conjugating enzyme E2 J2

Catalyzes the covalent attachment of ubiquitin to other proteins. Seems to function in the selective degradation of misfolded membrane proteins from the endoplasmic reticulum (ERAD). In cooperation with the GATOR2 complex, catalyzes 'Lys-6'-linked ubiquitination of NPRL2.

AlphaFold DB , UniProt , Accession A0A060YEI6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ube2j2, Length 259 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
1M40.2Very low57.2Low239 Ų239145.7 Ų145.7100%1.17777%0.77SS**  094.40-72.8151.7131.900108N3M1-N3 PolarHBondContact O-N 3.26Å
2N38.7Very low60.3Low145 Ų145139.6 Ų139.678%0.77574%0.742SS**  trans-85.297.9-178.9-79.1-4.3000109.6H4N2-H4 PolarHBondContact O-N 3.41Å; N2-H4 PolarHBondContact O-ND1 3.07Å
3N48.9Very low63Low158 Ų158129.4 Ų129.485%0.84569%0.69SS**  trans-69.990.9176.8-159.27.9000109.5M1 G5M1-N3 PolarHBondContact O-N 3.26Å; N3-G5 PolarHBondContact O-N 2.89Å
4H50.8Low65.4Low166 Ų166124.1 Ų124.177%0.76967%0.665SS**  trans-73.582.2169-78.854.9000108.1N2 N6N2-H4 PolarHBondContact O-N 3.41Å; N2-H4 PolarHBondContact O-ND1 3.07Å; H4-N6 PolarHBondContact O-N 2.84Å; H4-N6 VanDerWaalsContact O-N 3.08Å
5G53Low67.5Low54 Ų54122.6 Ų122.656%0.55765%0.652SS**  trans-52.9117.6167.300000108.5N3 K7N3-G5 PolarHBondContact O-N 2.89Å; G5-K7 PolarHBondContact O-N 3.49Å
6N53.1Low69.4Low155 Ų155116.3 Ų116.383%0.82962%0.617SS**  trans-6582.7-177.3-16220.5000109.4H4 R8H4-N6 PolarHBondContact O-N 2.84Å; H4-N6 VanDerWaalsContact O-N 3.08Å; N6-R8 PolarHBondContact O-N 3.06Å
7K58.8Low71.1Confident199 Ų199109.5 Ų109.587%0.86558%0.58SS**  trans-68.3100.8176.1-71.2-176.2-179179.80107.3G5 A9G5-K7 PolarHBondContact O-N 3.49Å; K7-A9 PolarHBondContact O-N 2.76Å
8R64.6Low72.6Confident235 Ų235110.1 Ų110.189%0.88758%0.577SS**PPolyproline II helixtrans-53129.1170.9-78.2-177.8175.1173.3-0.9108.5N6N6-R8 PolarHBondContact O-N 3.06Å
9A66.1Low74Confident84 Ų84109.7 Ų109.769%0.69457%0.572SS**PPolyproline II helixtrans-55.3144174.700000110.2K7 T11K7-A9 PolarHBondContact O-N 2.76Å; A9-T11 PolarHBondContact O-N 3.38Å
10P72.8Confident75.2Confident105 Ų105104.2 Ų104.268%0.68254%0.543SS*.PPolyproline II helixtrans-59.8133.7177.724.1-32.1000110.2T12P10-T12 PolarHBondContact O-N 3.35Å
11T82.6Confident76.3Confident63 Ų63102.9 Ų102.939%0.38753%0.532SS..PPolyproline II helixtrans-61.5123.5179.1-52.50000110.1A9 Q15 R16A9-T11 PolarHBondContact O-N 3.38Å; T11-Q15 HydrophobicContact CG2-CB 3.76Å; T11-R16 HydrophobicContact CG2-CB 3.95Å
12T94.3Very high79Confident72 Ų7297.3 Ų97.344%0.44251%0.506SS..PPolyproline II helixtrans-70.7156.1175.261.20000111.6P10 T14 Q15 R16P10-T12 PolarHBondContact O-N 3.35Å; T12-T14 PolarHBondContact O-N 2.97Å; T12-Q15 PolarHBondContact O-N 3.35Å; T12-Q15 VanDerWaalsContact O-N 3.08Å; T12-Q15 WeakPolarHBondContact OG1-CB 3.28Å; T12-Q15 VanDerWaalsContact OG1-CD 3.28Å; T12-Q15 VanDerWaalsContact OG1-CG 3.25Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.48Å; T12-Q15 PolarHBondContact OG1-N 3.11Å; T12-Q15 PolarHBondContact OG1-OE1 3.42Å; T12-R16 PolarHBondContact O-N 2.89Å
13A95.7Very high81.9Confident7 Ų795.8 Ų95.86%0.05849%0.489CS..Hα-helixtrans-50.7-45.2174.500000112.5R16 L17 L42 R69 F71A13-R16 PolarHBondContact O-N 3.5Å; A13-L17 WeakPolarHBondContact O-CB 3.43Å; A13-L17 WeakPolarHBondContact O-CD1 3.28Å; A13-L17 VanDerWaalsContact O-CG 3.27Å; A13-L17 WeakPolarHBondContact O-CG 3.35Å; A13-L17 PolarHBondContact O-N 3.47Å; A13-L42 HydrophobicContact CB-CD2 3.97Å; A13-R69 WeakPolarHBondContact CB-O 3.48Å; A13-F71 WeakPolarHBondContact CA-O 3.5Å; A13-F71 HydrophobicContact CB-CB 3.99Å; A13-F71 VanDerWaalsContact CB-O 3.23Å; A13-F71 WeakPolarHBondContact CB-O 3.38Å; A13-F71 PolarHBondContact N-O 3.39Å
14T96.8Very high84.2Confident56 Ų5688.7 Ų88.734%0.34445%0.452SS..Hα-helixtrans-61.4-45.8177.7-590000112.6T12 R16 L17 K18 I41T12-T14 PolarHBondContact O-N 2.97Å; T14-R16 VanDerWaalsContact C-N 3.33Å; T14-L17 PolarHBondContact O-N 3.41Å; T14-K18 HydrophobicContact CG2-CD 4.45Å; T14-K18 VanDerWaalsContact O-CG 3.32Å; T14-K18 WeakPolarHBondContact O-CG 2.74Å; T14-K18 PolarHBondContact O-N 3.02Å; T14-I41 HydrophobicContact CG2-CD1 4.38Å; T14-I41 HydrophobicContact CG2-CG2 4.03Å
15Q96.6Very high86.4Confident101 Ų10185.2 Ų85.247%0.47243%0.434SS..Hα-helixtrans-63.4-42.5177.4-75.5165.1-3000111.1T11 T12 K18 Q19T11-Q15 HydrophobicContact CG2-CB 3.76Å; T12-Q15 PolarHBondContact O-N 3.35Å; T12-Q15 VanDerWaalsContact O-N 3.08Å; T12-Q15 WeakPolarHBondContact OG1-CB 3.28Å; T12-Q15 VanDerWaalsContact OG1-CD 3.28Å; T12-Q15 VanDerWaalsContact OG1-CG 3.25Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.48Å; T12-Q15 PolarHBondContact OG1-N 3.11Å; T12-Q15 PolarHBondContact OG1-OE1 3.42Å; Q15-K18 PolarHBondContact O-N 3.38Å; Q15-Q19 WeakPolarHBondContact O-CG 3.43Å; Q15-Q19 PolarHBondContact O-N 3.09Å
16R97.7Very high88.5Confident22 Ų2291.7 Ų91.78%0.08345%0.447CS..Hα-helixtrans-63.5-44.6177.9173.957.8-165.2-70.9-20112T11 T12 A13 T14 K18 Q19 D20 F71 P72 P107 W109T11-R16 HydrophobicContact CG2-CB 3.95Å; T12-R16 PolarHBondContact O-N 2.89Å; A13-R16 PolarHBondContact O-N 3.5Å; T14-R16 VanDerWaalsContact C-N 3.33Å; R16-K18 PolarHBondContact O-N 3.13Å; R16-Q19 WeakPolarHBondContact O-CB 3.45Å; R16-Q19 PolarHBondContact O-N 3.02Å; R16-Q19 VanDerWaalsContact O-N 3.16Å; R16-D20 IonicContact CZ-OD1 3.25Å; R16-D20 IonicContact CZ-OD2 3.34Å; R16-D20 IonicContact NE-OD1 2.94Å; R16-D20 PolarHBondContact NE-OD1 3.4Å; R16-D20 IonicContact NE-OD2 2.89Å; R16-D20 PolarHBondContact NE-OD2 3.01Å; R16-D20 IonicContact NH2-OD1 3.49Å; R16-D20 PolarHBondContact NH2-OD1 2.91Å; R16-D20 IonicContact NH2-OD2 3.67Å; R16-D20 PolarHBondContact NH2-OD2 3.42Å; R16-D20 PolarHBondContact O-N 3.15Å; R16-F71 HydrophobicContact CB-CE1 4.48Å; R16-F71 HydrophobicContact CG-CD1 4.05Å; R16-F71 HydrophobicContact CG-CE1 3.62Å; R16-P72 HydrophobicContact CG-CB 4.15Å; R16-P72 HydrophobicContact CG-CG 4.06Å; R16-P72 VanDerWaalsContact NH1-CG 3.32Å; R16-P107 PolarHBondContact NH1-O 2.83Å; R16-W109 PolarHBondContact NH2-O 3.34Å
17L98.4Very high90.6Very high0 Ų089.8 Ų89.80%044%0.437CS..Hα-helixtrans-67.9-34.6179.5-72164.5000112.2A13 T14 Q19 D20 Y21 I41 L42 W44 F67 F71 V111A13-L17 WeakPolarHBondContact O-CB 3.43Å; A13-L17 WeakPolarHBondContact O-CD1 3.28Å; A13-L17 VanDerWaalsContact O-CG 3.27Å; A13-L17 WeakPolarHBondContact O-CG 3.35Å; A13-L17 PolarHBondContact O-N 3.47Å; T14-L17 PolarHBondContact O-N 3.41Å; L17-Q19 VanDerWaalsContact C-N 3.3Å; L17-Q19 PolarHBondContact O-N 3.38Å; L17-D20 PolarHBondContact O-N 3.19Å; L17-Y21 WeakPolarHBondContact O-CB 3.48Å; L17-Y21 PolarHBondContact O-N 2.99Å; L17-I41 HydrophobicContact CB-CD1 4.29Å; L17-I41 HydrophobicContact CB-CG1 4.2Å; L17-I41 WeakPolarHBondContact CD1-O 3.41Å; L17-L42 HydrophobicContact CD1-CD2 3.62Å; L17-W44 HydrophobicContact CB-CZ2 4.19Å; L17-W44 HydrophobicContact CD2-CZ2 4.2Å; L17-W44 WeakPolarHBondContact O-CZ2 3.32Å; L17-F67 HydrophobicContact CD1-CB 4.03Å; L17-F67 HydrophobicContact CD1-CD1 4.49Å; L17-F67 HydrophobicContact CD1-CD2 4.03Å; L17-F67 HydrophobicContact CD1-CG 3.92Å; L17-F67 HydrophobicContact CD2-CD1 3.82Å; L17-F67 HydrophobicContact CD2-CD2 3.87Å; L17-F67 HydrophobicContact CD2-CE1 3.72Å; L17-F67 HydrophobicContact CD2-CE2 3.77Å; L17-F67 HydrophobicContact CD2-CG 3.9Å; L17-F67 HydrophobicContact CD2-CZ 3.7Å; L17-F71 HydrophobicContact CD1-CD1 4.27Å; L17-F71 HydrophobicContact CD2-CD1 3.93Å; L17-F71 HydrophobicContact CD2-CE1 3.54Å; L17-F71 HydrophobicContact CD2-CZ 4.24Å; L17-F71 HydrophobicContact CG-CD1 3.84Å; L17-F71 HydrophobicContact CG-CE1 3.85Å; L17-V111 HydrophobicContact CD2-CG2 3.99Å
18K98.1Very high92.5Very high121 Ų12184.6 Ų84.653%0.52642%0.423SS..Hα-helixtrans-59.7-41.7170.1-73.9177.3179.4-174.70111.8T14 Q15 R16 Y21 L22 I41T14-K18 HydrophobicContact CG2-CD 4.45Å; T14-K18 VanDerWaalsContact O-CG 3.32Å; T14-K18 WeakPolarHBondContact O-CG 2.74Å; T14-K18 PolarHBondContact O-N 3.02Å; Q15-K18 PolarHBondContact O-N 3.38Å; R16-K18 PolarHBondContact O-N 3.13Å; K18-Y21 PolarHBondContact O-N 2.98Å; K18-L22 WeakPolarHBondContact O-CG 3.41Å; K18-L22 PolarHBondContact O-N 3.32Å; K18-L22 VanDerWaalsContact O-N 3.07Å; K18-I41 HydrophobicContact CG-CD1 3.56Å
19Q98.1Very high94Very high102 Ų10274.5 Ų74.548%0.47739%0.388SS..Hα-helixtrans-65.5-44.4176-68.5172.7-1800111.8Q15 R16 L17 Y21 L22 R23Q15-Q19 WeakPolarHBondContact O-CG 3.43Å; Q15-Q19 PolarHBondContact O-N 3.09Å; R16-Q19 WeakPolarHBondContact O-CB 3.45Å; R16-Q19 PolarHBondContact O-N 3.02Å; R16-Q19 VanDerWaalsContact O-N 3.16Å; L17-Q19 VanDerWaalsContact C-N 3.3Å; L17-Q19 PolarHBondContact O-N 3.38Å; Q19-Y21 VanDerWaalsContact C-N 3.28Å; Q19-Y21 PolarHBondContact O-N 3.44Å; Q19-L22 PolarHBondContact O-N 3.37Å; Q19-R23 WeakPolarHBondContact O-CB 3.16Å; Q19-R23 PolarHBondContact O-N 3.4Å
20D98.4Very high95.5Very high0 Ų075.1 Ų75.10%039%0.385CS..Hα-helixtrans-65.5-32.9177.6-77.39.3000111.6R16 L17 R23 I24 S110 V111R16-D20 IonicContact CZ-OD1 3.25Å; R16-D20 IonicContact CZ-OD2 3.34Å; R16-D20 IonicContact NE-OD1 2.94Å; R16-D20 PolarHBondContact NE-OD1 3.4Å; R16-D20 IonicContact NE-OD2 2.89Å; R16-D20 PolarHBondContact NE-OD2 3.01Å; R16-D20 IonicContact NH2-OD1 3.49Å; R16-D20 PolarHBondContact NH2-OD1 2.91Å; R16-D20 IonicContact NH2-OD2 3.67Å; R16-D20 PolarHBondContact NH2-OD2 3.42Å; R16-D20 PolarHBondContact O-N 3.15Å; L17-D20 PolarHBondContact O-N 3.19Å; D20-R23 WeakPolarHBondContact O-CB 3.39Å; D20-R23 PolarHBondContact O-N 3.05Å; D20-R23 IonicContact OD1-CZ 3.81Å; D20-R23 IonicContact OD1-NH1 2.86Å; D20-R23 PolarHBondContact OD1-NH1 3.41Å; D20-I24 PolarHBondContact O-N 3.19Å; D20-S110 VanDerWaalsContact OD2-CA 3.28Å; D20-S110 WeakPolarHBondContact OD2-CA 3.29Å; D20-V111 HydrophobicContact CB-CB 4.23Å; D20-V111 HydrophobicContact CB-CG2 3.8Å; D20-V111 PolarHBondContact OD2-N 3.38Å
21Y98.5Very high96.7Very high76 Ų7674.5 Ų74.530%0.29837%0.369SS..Hα-helixtrans-64.3-50.4173.6-177.5-110.5000111.7L17 K18 Q19 R23 I24 K25 E35 P36 W44L17-Y21 WeakPolarHBondContact O-CB 3.48Å; L17-Y21 PolarHBondContact O-N 2.99Å; K18-Y21 PolarHBondContact O-N 2.98Å; Q19-Y21 VanDerWaalsContact C-N 3.28Å; Q19-Y21 PolarHBondContact O-N 3.44Å; Y21-R23 PolarHBondContact O-N 3.31Å; Y21-I24 WeakPolarHBondContact O-CG2 3.49Å; Y21-I24 PolarHBondContact O-N 3.44Å; Y21-K25 HydrophobicContact CD2-CG 4.39Å; Y21-K25 HydrophobicContact CE1-CG 4.21Å; Y21-K25 HydrophobicContact CE2-CD 4.3Å; Y21-K25 HydrophobicContact CE2-CG 4.06Å; Y21-K25 WeakPolarHBondContact O-CB 3.4Å; Y21-K25 VanDerWaalsContact O-CG 3.29Å; Y21-K25 WeakPolarHBondContact O-CG 3.3Å; Y21-K25 PolarHBondContact O-N 3.18Å; Y21-K25 WeakPolarHBondContact OH-CE 3.38Å; Y21-E35 WeakPolarHBondContact CE2-OE2 3.4Å; Y21-E35 PolarHBondContact OH-OE2 2.95Å; Y21-P36 HydrophobicContact CD2-CG 4.06Å; Y21-P36 VanDerWaalsContact CE2-CD 3.44Å; Y21-P36 HydrophobicContact CE2-CG 4.07Å; Y21-W44 VanDerWaalsContact CA-CH2 3.49Å; Y21-W44 AromaticContact CD2-CH2 3.86Å; Y21-W44 HydrophobicContact CD2-CH2 3.86Å; Y21-W44 HydrophobicContact CD2-CZ2 4.44Å; Y21-W44 HydrophobicContact CD2-CZ3 4.12Å; Y21-W44 HydrophobicContact CG-CH2 4.19Å
22L98.2Very high97.4Very high123 Ų12372 Ų7264%0.64435%0.353SS*.Hα-helixtrans-59.7-36.5174.9-66.1175.2000111.6K18 Q19 K26K18-L22 WeakPolarHBondContact O-CG 3.41Å; K18-L22 PolarHBondContact O-N 3.32Å; K18-L22 VanDerWaalsContact O-N 3.07Å; Q19-L22 PolarHBondContact O-N 3.37Å; L22-K26 VanDerWaalsContact O-CB 3.27Å; L22-K26 WeakPolarHBondContact O-CB 3.49Å; L22-K26 PolarHBondContact O-N 3.31Å
23R98Very high97.6Very high112 Ų11271.4 Ų71.442%0.42335%0.352SS..Hα-helixtrans-64.1-53.4177.4-174.5-178.1-65.8132.92.2111.7Q19 D20 Y21 K25 K26 D27 S110Q19-R23 WeakPolarHBondContact O-CB 3.16Å; Q19-R23 PolarHBondContact O-N 3.4Å; D20-R23 WeakPolarHBondContact O-CB 3.39Å; D20-R23 PolarHBondContact O-N 3.05Å; D20-R23 IonicContact OD1-CZ 3.81Å; D20-R23 IonicContact OD1-NH1 2.86Å; D20-R23 PolarHBondContact OD1-NH1 3.41Å; Y21-R23 PolarHBondContact O-N 3.31Å; R23-K25 VanDerWaalsContact C-N 3.26Å; R23-K25 PolarHBondContact O-N 3.32Å; R23-K26 PolarHBondContact O-N 2.84Å; R23-K26 VanDerWaalsContact O-N 3.17Å; R23-D27 PolarHBondContact O-N 3.19Å; R23-S110 VanDerWaalsContact NH1-CB 3.26Å
24I97.7Very high97.7Very high10 Ų1071.3 Ų71.35%0.05135%0.351CS..Hα-helixtrans-67.8-27.3-177.3-161.8168.3000112.5D20 Y21 D27 P28 V29 A34 W44 S112 L115D20-I24 PolarHBondContact O-N 3.19Å; Y21-I24 WeakPolarHBondContact O-CG2 3.49Å; Y21-I24 PolarHBondContact O-N 3.44Å; I24-D27 CarbonylContact O-C 3.52Å; I24-P28 VanDerWaalsContact O-CA 3.31Å; I24-P28 WeakPolarHBondContact O-CA 3.35Å; I24-V29 HydrophobicContact CD1-CG2 4.04Å; I24-V29 HydrophobicContact CG1-CG2 4.35Å; I24-A34 HydrophobicContact CD1-CB 4.14Å; I24-W44 HydrophobicContact CG2-CZ3 4.32Å; I24-S112 WeakPolarHBondContact CB-OG 3.47Å; I24-S112 WeakPolarHBondContact CG1-OG 3.43Å; I24-L115 HydrophobicContact CD1-CD1 4.32Å
25K97.4Very high97.8Very high93 Ų9370.5 Ų70.540%0.40434%0.344SS..Hα-helixtrans-72.1-38171.9-67.6-56.7-175.1-179.30112.9Y21 R23 E35Y21-K25 HydrophobicContact CD2-CG 4.39Å; Y21-K25 HydrophobicContact CE1-CG 4.21Å; Y21-K25 HydrophobicContact CE2-CD 4.3Å; Y21-K25 HydrophobicContact CE2-CG 4.06Å; Y21-K25 WeakPolarHBondContact O-CB 3.4Å; Y21-K25 VanDerWaalsContact O-CG 3.29Å; Y21-K25 WeakPolarHBondContact O-CG 3.3Å; Y21-K25 PolarHBondContact O-N 3.18Å; Y21-K25 WeakPolarHBondContact OH-CE 3.38Å; R23-K25 VanDerWaalsContact C-N 3.26Å; R23-K25 PolarHBondContact O-N 3.32Å; K25-E35 IonicContact NZ-OE1 2.76Å; K25-E35 PolarHBondContact NZ-OE1 3.03Å; K25-E35 IonicContact NZ-OE2 2.54Å; K25-E35 PolarHBondContact NZ-OE2 2.96Å
26K97.7Very high97.9Very high189 Ų18966.9 Ų66.982%0.82233%0.329SS*.Hα-helixtrans-74.2-38.6177.8-177.3179.5177.4-177.60112.2L22 R23L22-K26 VanDerWaalsContact O-CB 3.27Å; L22-K26 WeakPolarHBondContact O-CB 3.49Å; L22-K26 PolarHBondContact O-N 3.31Å; R23-K26 PolarHBondContact O-N 2.84Å; R23-K26 VanDerWaalsContact O-N 3.17Å
27D97Very high97.9Very high116 Ų11667.3 Ų67.362%0.6233%0.333SS*.SBendtrans-131.881.9-176.6-171.629.4000109.4R23 I24R23-D27 PolarHBondContact O-N 3.19Å; I24-D27 CarbonylContact O-C 3.52Å
28P97.2Very high97.8Very high89 Ų8973.3 Ų73.358%0.57837%0.372SS*.PPolyproline II helixtrans-65142.3-179-21.534.1000112I24I24-P28 VanDerWaalsContact O-CA 3.31Å; I24-P28 WeakPolarHBondContact O-CA 3.35Å
29V96.3Very high97.7Very high24 Ų2473 Ų7315%0.14538%0.384CS..PPolyproline II helixtrans-86.6140.6174.3-79.10000111.1I24 I32I24-V29 HydrophobicContact CD1-CG2 4.04Å; I24-V29 HydrophobicContact CG1-CG2 4.35Å; V29-I32 HydrophobicContact CG2-CB 3.73Å; V29-I32 HydrophobicContact CG2-CD1 4.46Å; V29-I32 HydrophobicContact CG2-CG2 3.94Å; V29-I32 PolarHBondContact O-N 2.93Å
30P97.4Very high97.7Very high96 Ų9671 Ų7162%0.62338%0.377SS*.THydrogen-bonded Turntrans-55143.7177.9-26.434.8000112.5I32P30-I32 PolarHBondContact O-N 3.18Å
31Y98.2Very high97.7Very high92 Ų9273 Ų7336%0.36139%0.387SS..THydrogen-bonded Turntrans63.7-0.2178.3-49.3-78.4000116.3V48 R49 P51 E52 L119Y31-V48 CarbonylContact O-C 3.44Å; Y31-R49 WeakPolarHBondContact CB-O 3.46Å; Y31-R49 PolarHBondContact O-N 3.21Å; Y31-P51 HydrophobicContact CD1-CB 4.26Å; Y31-P51 HydrophobicContact CD1-CG 4.21Å; Y31-P51 HydrophobicContact CD2-CG 4.29Å; Y31-P51 HydrophobicContact CE1-CB 3.96Å; Y31-P51 HydrophobicContact CE1-CG 4.38Å; Y31-P51 HydrophobicContact CE2-CB 4.4Å; Y31-P51 HydrophobicContact CE2-CG 4.46Å; Y31-P51 HydrophobicContact CG-CG 4.18Å; Y31-E52 WeakPolarHBondContact CE1-OE2 3.37Å; Y31-E52 PolarHBondContact OH-OE2 3.38Å; Y31-L119 HydrophobicContact CD2-CD2 4.02Å; Y31-L119 HydrophobicContact CG-CD2 4.35Å
32I98.4Very high97.7Very high10 Ų1070.8 Ų70.85%0.05138%0.38CS..EExtended strand (participates in β ladder)trans-129.1132.7-167.9-62.1174.6000111V29 P30 V47 V48 L115 L119V29-I32 HydrophobicContact CG2-CB 3.73Å; V29-I32 HydrophobicContact CG2-CD1 4.46Å; V29-I32 HydrophobicContact CG2-CG2 3.94Å; V29-I32 PolarHBondContact O-N 2.93Å; P30-I32 PolarHBondContact O-N 3.18Å; I32-V47 WeakPolarHBondContact CA-O 3.44Å; I32-V48 HydrophobicContact CG1-CG2 4.33Å; I32-L115 HydrophobicContact CD1-CB 3.92Å; I32-L115 WeakPolarHBondContact CD1-O 3.47Å; I32-L115 HydrophobicContact CG2-CB 3.92Å; I32-L115 HydrophobicContact CG2-CD1 3.74Å; I32-L115 HydrophobicContact CG2-CG 4.37Å; I32-L119 HydrophobicContact CD1-CB 4.06Å; I32-L119 HydrophobicContact CD1-CD2 4.2Å; I32-L119 HydrophobicContact CG1-CD2 4.45Å
33C97.4Very high97.7Very high61 Ų6166.7 Ų66.741%0.41236%0.358SS..EExtended strand (participates in β ladder)trans-118.8145.6166.4-57.60000109Y46 V47 F160C33-Y46 CarbonylContact O-C 3.56Å; C33-Y46 WeakPolarHBondContact O-CA 3.16Å; C33-Y46 WeakPolarHBondContact O-CB 3.49Å; C33-V47 PolarHBondContact N-O 3.27Å; C33-V47 PolarHBondContact O-N 3.5Å; C33-F160 HydrophobicContact CB-CD1 4.22Å; C33-F160 HydrophobicContact CB-CE1 4.34Å
34A98.5Very high97.7Very high5 Ų561.4 Ų61.44%0.04134%0.338CS..EExtended strand (participates in β ladder)trans-146.4142.5176.400000111.9I24 W44 H45 L115I24-A34 HydrophobicContact CD1-CB 4.14Å; A34-W44 HydrophobicContact CB-CE3 4.15Å; A34-H45 CarbonylContact C-O 3.59Å; A34-H45 VanDerWaalsContact CA-O 3.27Å; A34-H45 WeakPolarHBondContact CA-O 3.39Å; A34-L115 HydrophobicContact CB-CD1 3.6Å
35E98.6Very high97.8Very high39 Ų3961.4 Ų61.418%0.18234%0.338CS..EExtended strand (participates in β ladder)trans-139.5134.6-179.7-61.5-63.217100110.8Y21 K25 W44 H45 L159 F160Y21-E35 WeakPolarHBondContact CE2-OE2 3.4Å; Y21-E35 PolarHBondContact OH-OE2 2.95Å; K25-E35 IonicContact NZ-OE1 2.76Å; K25-E35 PolarHBondContact NZ-OE1 3.03Å; K25-E35 IonicContact NZ-OE2 2.54Å; K25-E35 PolarHBondContact NZ-OE2 2.96Å; E35-W44 CarbonylContact O-C 3.48Å; E35-W44 VanDerWaalsContact O-CA 3.32Å; E35-W44 WeakPolarHBondContact O-CA 3.3Å; E35-H45 PolarHBondContact N-O 3.04Å; E35-H45 PolarHBondContact O-N 3.43Å; E35-L159 HydrophobicContact CB-CB 4.33Å; E35-L159 HydrophobicContact CB-CD2 4.46Å; E35-L159 HydrophobicContact CG-CB 4.43Å; E35-L159 WeakPolarHBondContact CG-O 3.25Å; E35-F160 HydrophobicContact CB-CE1 4.13Å; E35-F160 HydrophobicContact CB-CZ 4.3Å; E35-F160 HydrophobicContact CG-CD1 4.08Å; E35-F160 HydrophobicContact CG-CE1 3.63Å; E35-F160 HydrophobicContact CG-CZ 4.26Å
36P98.5Very high97.8Very high25 Ų2557 Ų5716%0.16232%0.318CS..EExtended strand (participates in β ladder)trans-67.2149164.929-32.4000110.8Y21 I41 W44Y21-P36 HydrophobicContact CD2-CG 4.06Å; Y21-P36 VanDerWaalsContact CE2-CD 3.44Å; Y21-P36 HydrophobicContact CE2-CG 4.07Å; P36-I41 HydrophobicContact CB-CG1 4.27Å; P36-W44 HydrophobicContact CB-CD2 4.14Å; P36-W44 HydrophobicContact CB-CG 4.18Å; P36-W44 HydrophobicContact CB-CZ2 4.48Å
37L97.9Very high97.9Very high31 Ų3148 Ų4816%0.16228%0.28CS..EExtended strand (participates in β ladder)trans-62.6134.2164.4-76.3-179.7000109.7S39 N40 E43 V155 L159L37-S39 PolarHBondContact O-N 3.16Å; L37-S39 VanDerWaalsContact O-N 3.15Å; L37-N40 HydrophobicContact CB-CB 4.45Å; L37-N40 CarbonylContact O-C 3.46Å; L37-N40 VanDerWaalsContact O-C 3.31Å; L37-N40 PolarHBondContact O-N 3.3Å; L37-E43 HydrophobicContact CD1-CB 3.95Å; L37-E43 HydrophobicContact CD1-CG 3.52Å; L37-E43 HydrophobicContact CG-CB 4.42Å; L37-E43 HydrophobicContact CG-CG 4.06Å; L37-E43 PolarHBondContact N-O 3.48Å; L37-V155 HydrophobicContact CD2-CG1 4.29Å; L37-L159 HydrophobicContact CD2-CD1 3.93Å
38P96.3Very high98Very high126 Ų12642.5 Ų42.582%0.81825%0.25SS*.THydrogen-bonded Turntrans-57.1-33.1178.8-26.734000113.4
39S96.5Very high98Very high113 Ų11342.6 Ų42.679%0.7924%0.239SC*.THydrogen-bonded Turntrans-86.2-17180560000114L37L37-S39 PolarHBondContact O-N 3.16Å; L37-S39 VanDerWaalsContact O-N 3.15Å
40N97.6Very high98.1Very high62 Ų6241.8 Ų41.833%0.33224%0.236SC..EExtended strand (participates in β ladder)trans-152.198-174.7-178.817000112L37 L42 E43L37-N40 HydrophobicContact CB-CB 4.45Å; L37-N40 CarbonylContact O-C 3.46Å; L37-N40 VanDerWaalsContact O-C 3.31Å; L37-N40 PolarHBondContact O-N 3.3Å; N40-L42 PolarHBondContact O-N 3.27Å; N40-L42 VanDerWaalsContact O-N 3.08Å; N40-L42 WeakPolarHBondContact OD1-CB 3.38Å; N40-L42 PolarHBondContact OD1-N 3.32Å; N40-E43 PolarHBondContact O-N 2.99Å; N40-E43 VanDerWaalsContact O-O 3.04Å
41I97.6Very high98.2Very high41 Ų4138 Ų3821%0.2121%0.211CC..EExtended strand (participates in β ladder)trans-64.1-15177.2-159.7170.7000113.9T14 L17 K18 P36 E43 W44T14-I41 HydrophobicContact CG2-CD1 4.38Å; T14-I41 HydrophobicContact CG2-CG2 4.03Å; L17-I41 HydrophobicContact CB-CD1 4.29Å; L17-I41 HydrophobicContact CB-CG1 4.2Å; L17-I41 WeakPolarHBondContact CD1-O 3.41Å; K18-I41 HydrophobicContact CG-CD1 3.56Å; P36-I41 HydrophobicContact CB-CG1 4.27Å; I41-E43 VanDerWaalsContact C-N 3.27Å; I41-W44 PolarHBondContact O-NE1 2.8Å
42L98.4Very high98.1Very high29 Ų2938.8 Ų38.815%0.15222%0.218CC..EExtended strand (participates in β ladder)trans-83.5-3.2175.7-57.8-178.8000112.7A13 L17 N40 F67 R69A13-L42 HydrophobicContact CB-CD2 3.97Å; L17-L42 HydrophobicContact CD1-CD2 3.62Å; N40-L42 PolarHBondContact O-N 3.27Å; N40-L42 VanDerWaalsContact O-N 3.08Å; N40-L42 WeakPolarHBondContact OD1-CB 3.38Å; N40-L42 PolarHBondContact OD1-N 3.32Å; L42-F67 HydrophobicContact CB-CB 4.38Å; L42-F67 HydrophobicContact CD2-CB 4.28Å; L42-F67 WeakPolarHBondContact O-CD2 3.33Å; L42-F67 PolarHBondContact O-N 3.45Å; L42-R69 HydrophobicContact CD1-CG 4.25Å
43E98.6Very high98Very high37 Ų3747.9 Ų47.917%0.17326%0.257CS..EExtended strand (participates in β ladder)trans-120.4118.8172176.1159.9-168.700108.7L37 N40 I41 H45 K64 L65 I66L37-E43 HydrophobicContact CD1-CB 3.95Å; L37-E43 HydrophobicContact CD1-CG 3.52Å; L37-E43 HydrophobicContact CG-CB 4.42Å; L37-E43 HydrophobicContact CG-CG 4.06Å; L37-E43 PolarHBondContact N-O 3.48Å; N40-E43 PolarHBondContact O-N 2.99Å; N40-E43 VanDerWaalsContact O-O 3.04Å; I41-E43 VanDerWaalsContact C-N 3.27Å; E43-H45 IonicContact OE1-NE2 2.81Å; E43-K64 VanDerWaalsContact OE1-CD 3.3Å; E43-K64 WeakPolarHBondContact OE1-CD 3.49Å; E43-K64 IonicContact OE1-NZ 3.66Å; E43-K64 PolarHBondContact OE1-NZ 3.45Å; E43-L65 WeakPolarHBondContact CA-O 3.25Å; E43-I66 HydrophobicContact CB-CD1 3.86Å; E43-I66 VanDerWaalsContact CD-CD1 3.42Å; E43-I66 HydrophobicContact CG-CD1 3.46Å; E43-I66 VanDerWaalsContact CG-CD1 3.46Å
44W98.8Very high98Very high1 Ų146 Ų460%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-116.5138.7177-72.243.5000109.1L17 Y21 I24 A34 E35 P36 I41 K64 L65 F67 V111L17-W44 HydrophobicContact CB-CZ2 4.19Å; L17-W44 HydrophobicContact CD2-CZ2 4.2Å; L17-W44 WeakPolarHBondContact O-CZ2 3.32Å; Y21-W44 VanDerWaalsContact CA-CH2 3.49Å; Y21-W44 AromaticContact CD2-CH2 3.86Å; Y21-W44 HydrophobicContact CD2-CH2 3.86Å; Y21-W44 HydrophobicContact CD2-CZ2 4.44Å; Y21-W44 HydrophobicContact CD2-CZ3 4.12Å; Y21-W44 HydrophobicContact CG-CH2 4.19Å; I24-W44 HydrophobicContact CG2-CZ3 4.32Å; A34-W44 HydrophobicContact CB-CE3 4.15Å; E35-W44 CarbonylContact O-C 3.48Å; E35-W44 VanDerWaalsContact O-CA 3.32Å; E35-W44 WeakPolarHBondContact O-CA 3.3Å; P36-W44 HydrophobicContact CB-CD2 4.14Å; P36-W44 HydrophobicContact CB-CG 4.18Å; P36-W44 HydrophobicContact CB-CZ2 4.48Å; I41-W44 PolarHBondContact O-NE1 2.8Å; W44-K64 CarbonylContact O-C 3.31Å; W44-K64 WeakPolarHBondContact O-CA 3.43Å; W44-K64 VanDerWaalsContact O-CB 3.28Å; W44-K64 WeakPolarHBondContact O-CB 3.39Å; W44-L65 HydrophobicContact CB-CB 4.38Å; W44-L65 PolarHBondContact N-O 3.08Å; W44-L65 PolarHBondContact O-N 3.41Å; W44-F67 HydrophobicContact CB-CE2 4Å; W44-F67 AromaticContact CD1-CD2 3.89Å; W44-F67 AromaticContact CD1-CE2 3.48Å; W44-F67 VanDerWaalsContact CD1-CE2 3.48Å; W44-F67 HydrophobicContact CD2-CE2 4.27Å; W44-F67 HydrophobicContact CG-CD2 4.47Å; W44-F67 AromaticContact CG-CE2 3.67Å; W44-F67 HydrophobicContact CG-CE2 3.67Å; W44-F67 AromaticContact NE1-CE2 3.95Å; W44-V111 HydrophobicContact CE3-CG1 3.87Å; W44-V111 HydrophobicContact CH2-CG1 4.49Å; W44-V111 HydrophobicContact CH2-CG2 4.18Å; W44-V111 HydrophobicContact CZ2-CG2 4.49Å; W44-V111 HydrophobicContact CZ3-CB 4.28Å; W44-V111 HydrophobicContact CZ3-CG1 3.79Å; W44-V111 HydrophobicContact CZ3-CG2 4.27Å
45H98.8Very high98Very high10 Ų1046.9 Ų46.95%0.04625%0.249CC..EExtended strand (participates in β ladder)trans-96.3153.5166.1-73.3-96.6000109.9A34 E35 E43 H62 G63 L159 F160A34-H45 CarbonylContact C-O 3.59Å; A34-H45 VanDerWaalsContact CA-O 3.27Å; A34-H45 WeakPolarHBondContact CA-O 3.39Å; E35-H45 PolarHBondContact N-O 3.04Å; E35-H45 PolarHBondContact O-N 3.43Å; E43-H45 IonicContact OE1-NE2 2.81Å; H45-H62 AromaticContact CE1-CE1 3.97Å; H45-H62 AromaticContact CE1-NE2 3.94Å; H45-H62 AromaticContact CG-NE2 3.54Å; H45-H62 AromaticContact ND1-CD2 3.95Å; H45-H62 AromaticContact ND1-CE1 3.33Å; H45-H62 PolarHBondContact ND1-CE1 3.21Å; H45-H62 VanDerWaalsContact ND1-CE1 3.33Å; H45-H62 AromaticContact ND1-NE2 2.92Å; H45-H62 PolarHBondContact ND1-NE2 3.02Å; H45-G63 WeakPolarHBondContact CA-O 3.35Å; H45-G63 PolarHBondContact ND1-O 3.43Å; H45-L159 HydrophobicContact CB-CD1 3.68Å; H45-F160 HydrophobicContact CB-CE2 3.82Å; H45-F160 HydrophobicContact CB-CZ 3.74Å
46Y98.9Very high98Very high0 Ų045.4 Ų45.40%024%0.242CC..EExtended strand (participates in β ladder)trans-138.7159.2173.263-99000110.7C33 V48 H62 G63 L65 I78 Y79 M80 L115 L118C33-Y46 CarbonylContact O-C 3.56Å; C33-Y46 WeakPolarHBondContact O-CA 3.16Å; C33-Y46 WeakPolarHBondContact O-CB 3.49Å; Y46-V48 HydrophobicContact CD2-CG2 3.94Å; Y46-V48 HydrophobicContact CE2-CG2 4.03Å; Y46-H62 WeakPolarHBondContact O-CA 3.46Å; Y46-H62 PolarHBondContact O-CD2 2.94Å; Y46-G63 VanDerWaalsContact CE1-C 3.49Å; Y46-G63 PolarHBondContact N-O 2.96Å; Y46-G63 PolarHBondContact O-N 3.43Å; Y46-L65 HydrophobicContact CD1-CD2 4.32Å; Y46-L65 HydrophobicContact CD1-CG 4.01Å; Y46-L65 HydrophobicContact CE1-CD2 4.03Å; Y46-L65 HydrophobicContact CE1-CG 4.17Å; Y46-I78 HydrophobicContact CE1-CG2 4.29Å; Y46-Y79 PolarHBondContact OH-O 2.94Å; Y46-M80 HydrophobicContact CE2-CE 4.33Å; Y46-M80 HydrophobicContact CE2-SD 4.11Å; Y46-L115 HydrophobicContact CD1-CD2 3.5Å; Y46-L115 VanDerWaalsContact CD1-CD2 3.5Å; Y46-L115 HydrophobicContact CD2-CD2 4.16Å; Y46-L115 HydrophobicContact CE1-CD2 4.03Å; Y46-L115 HydrophobicContact CG-CD2 3.55Å; Y46-L118 HydrophobicContact CD2-CD2 4.38Å; Y46-L118 HydrophobicContact CE1-CD2 4.05Å; Y46-L118 HydrophobicContact CE2-CD2 3.55Å; Y46-L118 VanDerWaalsContact OH-CD2 3.23Å; Y46-L118 WeakPolarHBondContact OH-CD2 3.39Å
47V98.8Very high98Very high2 Ų248.7 Ų48.71%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-126.4124.1171.2-177.10000107.8I32 C33 Y60 Y61 F156 F160I32-V47 WeakPolarHBondContact CA-O 3.44Å; C33-V47 PolarHBondContact N-O 3.27Å; C33-V47 PolarHBondContact O-N 3.5Å; V47-Y60 HydrophobicContact CG1-CD1 3.92Å; V47-Y61 WeakPolarHBondContact CA-O 3.36Å; V47-F156 HydrophobicContact CB-CE2 4.44Å; V47-F156 HydrophobicContact CG1-CE2 4.05Å; V47-F156 HydrophobicContact CG2-CD2 3.92Å; V47-F156 HydrophobicContact CG2-CE2 3.47Å; V47-F156 VanDerWaalsContact CG2-CE2 3.47Å; V47-F156 HydrophobicContact CG2-CZ 4.48Å; V47-F160 HydrophobicContact CG2-CB 4.29Å; V47-F160 HydrophobicContact CG2-CD1 3.83Å; V47-F160 HydrophobicContact CG2-CD2 3.47Å; V47-F160 VanDerWaalsContact CG2-CD2 3.47Å; V47-F160 HydrophobicContact CG2-CE1 3.97Å; V47-F160 HydrophobicContact CG2-CE2 3.64Å; V47-F160 HydrophobicContact CG2-CG 3.58Å; V47-F160 HydrophobicContact CG2-CZ 3.9Å
48V98.8Very high98Very high0 Ų049 Ų490%027%0.266CS..EExtended strand (participates in β ladder)trans-98.9122.8169.3178.50000108.2Y31 I32 Y46 Y61 L119 M122Y31-V48 CarbonylContact O-C 3.44Å; I32-V48 HydrophobicContact CG1-CG2 4.33Å; Y46-V48 HydrophobicContact CD2-CG2 3.94Å; Y46-V48 HydrophobicContact CE2-CG2 4.03Å; V48-Y61 PolarHBondContact N-O 3.49Å; V48-Y61 WeakPolarHBondContact O-CD2 3.4Å; V48-Y61 PolarHBondContact O-N 2.99Å; V48-L119 HydrophobicContact CG1-CD1 3.69Å; V48-M122 HydrophobicContact CG1-SD 4.35Å
49R98.6Very high98.1Very high90 Ų9043 Ų4334%0.3423%0.228SC..EExtended strand (participates in β ladder)trans-81.6127166.6-66.5171.956.71507.6108.1Y31 P51 Y60 E166Y31-R49 WeakPolarHBondContact CB-O 3.46Å; Y31-R49 PolarHBondContact O-N 3.21Å; R49-P51 VanDerWaalsContact O-CD 3.27Å; R49-P51 WeakPolarHBondContact O-CD 3.24Å; R49-Y60 HydrophobicContact CG-CD1 4.05Å; R49-Y60 HydrophobicContact CG-CE1 3.75Å; R49-E166 IonicContact CZ-OE1 2.67Å; R49-E166 IonicContact CZ-OE2 3.91Å; R49-E166 VanDerWaalsContact CZ-OE2 3.25Å; R49-E166 IonicContact NE-OE2 3.12Å; R49-E166 VanDerWaalsContact NH1-CD 3.33Å; R49-E166 IonicContact NH1-OE1 3.21Å; R49-E166 PolarHBondContact NH1-OE1 3.36Å; R49-E166 VanDerWaalsContact NH1-OE1 3.15Å; R49-E166 IonicContact NH1-OE2 3.31Å; R49-E166 PolarHBondContact NH1-OE2 3.49Å; R49-E166 IonicContact NH2-OE1 3.15Å; R49-E166 PolarHBondContact NH2-OE1 2.92Å; R49-E166 IonicContact NH2-OE2 3.48Å
50G98.3Very high98.2Very high8 Ų837.8 Ų37.88%0.08219%0.191CC..PPolyproline II helixtrans-62.3120178.600000111.3Y56 G59G50-Y56 WeakPolarHBondContact CA-O 3.36Å; G50-G59 PolarHBondContact N-O 2.68Å
51P98.3Very high98.2Very high15 Ų1534.9 Ų34.910%0.09718%0.175CC..PPolyproline II helixtrans-63.9153.9-179.2-22.233.5000112.4Y31 R49 T54 L119 V123Y31-P51 HydrophobicContact CD1-CB 4.26Å; Y31-P51 HydrophobicContact CD1-CG 4.21Å; Y31-P51 HydrophobicContact CD2-CG 4.29Å; Y31-P51 HydrophobicContact CE1-CB 3.96Å; Y31-P51 HydrophobicContact CE1-CG 4.38Å; Y31-P51 HydrophobicContact CE2-CB 4.4Å; Y31-P51 HydrophobicContact CE2-CG 4.46Å; Y31-P51 HydrophobicContact CG-CG 4.18Å; R49-P51 VanDerWaalsContact O-CD 3.27Å; R49-P51 WeakPolarHBondContact O-CD 3.24Å; P51-T54 HydrophobicContact CB-CG2 4.05Å; P51-T54 PolarHBondContact O-N 3.27Å; P51-T54 PolarHBondContact O-OG1 3.23Å; P51-L119 HydrophobicContact CG-CD1 3.83Å; P51-L119 HydrophobicContact CG-CD2 4.34Å; P51-V123 HydrophobicContact CG-CG1 4.37Å
52E97.2Very high98.3Very high110 Ų11033 Ų3351%0.51417%0.165SC..THydrogen-bonded Turntrans-61.2152.4175.7-57.178-171.300111.1Y31 T54 E57Y31-E52 WeakPolarHBondContact CE1-OE2 3.37Å; Y31-E52 PolarHBondContact OH-OE2 3.38Å; E52-T54 PolarHBondContact O-N 2.95Å; E52-T54 VanDerWaalsContact O-N 3.16Å; E52-E57 WeakPolarHBondContact CA-OE2 3.39Å
53K95.9Very high98.3Very high201 Ų20131.6 Ų31.687%0.87416%0.158SC*.THydrogen-bonded Turntrans6218.3-179.6-51.9174.2-178.51740113.7E57K53-E57 PolarHBondContact N-OE2 3.14Å
54T97.8Very high98.3Very high21 Ų2132.5 Ų32.513%0.12916%0.161CC..SBendtrans-111.9163.7170.376.80000110.3P51 E52 Y56 E57 V123P51-T54 HydrophobicContact CB-CG2 4.05Å; P51-T54 PolarHBondContact O-N 3.27Å; P51-T54 PolarHBondContact O-OG1 3.23Å; E52-T54 PolarHBondContact O-N 2.95Å; E52-T54 VanDerWaalsContact O-N 3.16Å; T54-Y56 PolarHBondContact O-N 3.41Å; T54-Y56 VanDerWaalsContact O-N 3.1Å; T54-Y56 PolarHBondContact OG1-N 3.25Å; T54-E57 PolarHBondContact O-N 3.08Å; T54-E57 PolarHBondContact OG1-N 3.05Å; T54-V123 HydrophobicContact CG2-CG1 4.07Å
55P98.1Very high98.3Very high24 Ų2432.5 Ų32.516%0.15616%0.161CC..THydrogen-bonded Turntrans-62-12.8170.7-22.734.7000114D136 K139P55-D136 HydrophobicContact CB-CB 4.18Å; P55-D136 HydrophobicContact CG-CB 4.09Å; P55-K139 HydrophobicContact CB-CB 3.76Å; P55-K139 HydrophobicContact CB-CD 3.86Å; P55-K139 HydrophobicContact CB-CG 4.45Å; P55-K139 HydrophobicContact CG-CD 4.39Å; P55-K139 CarbonylContact O-C 3.59Å
56Y98.6Very high98.3Very high7 Ų734.4 Ų34.43%0.02717%0.171CC..THydrogen-bonded Turntrans-94.6-10.1-175.5-51.1-70.5000113.6G50 T54 G58 G59 Y61 R86 M122 V123 K139 S143G50-Y56 WeakPolarHBondContact CA-O 3.36Å; T54-Y56 PolarHBondContact O-N 3.41Å; T54-Y56 VanDerWaalsContact O-N 3.1Å; T54-Y56 PolarHBondContact OG1-N 3.25Å; Y56-G58 PolarHBondContact O-N 2.99Å; Y56-G59 PolarHBondContact O-N 3.45Å; Y56-Y61 VanDerWaalsContact CA-OH 3.24Å; Y56-Y61 WeakPolarHBondContact CA-OH 3.42Å; Y56-Y61 WeakPolarHBondContact CB-OH 3.49Å; Y56-Y61 HydrophobicContact CD1-CE2 4.41Å; Y56-Y61 AromaticContact CD1-CZ 3.99Å; Y56-Y61 HydrophobicContact CG-CE2 4.44Å; Y56-Y61 PolarHBondContact O-OH 3.39Å; Y56-R86 HydrophobicContact CE1-CB 4.14Å; Y56-R86 VanDerWaalsContact OH-CB 3.31Å; Y56-R86 WeakPolarHBondContact OH-CB 3.23Å; Y56-M122 HydrophobicContact CD1-CE 3.51Å; Y56-M122 HydrophobicContact CE1-CE 3.73Å; Y56-M122 HydrophobicContact CE1-CG 4.37Å; Y56-M122 HydrophobicContact CE2-CG 4.17Å; Y56-M122 WeakPolarHBondContact CE2-O 3.31Å; Y56-M122 HydrophobicContact CG-CE 3.93Å; Y56-M122 VanDerWaalsContact CZ-O 3.27Å; Y56-M122 PolarHBondContact OH-O 2.76Å; Y56-V123 HydrophobicContact CD2-CG1 4.31Å; Y56-V123 HydrophobicContact CE2-CG1 4.44Å; Y56-K139 HydrophobicContact CE1-CD 3.72Å; Y56-K139 HydrophobicContact CE1-CG 4.34Å; Y56-S143 PolarHBondContact O-OG 3.35Å; Y56-S143 VanDerWaalsContact O-OG 3.13Å
57E98.3Very high98.2Very high94 Ų9434.7 Ų34.744%0.43917%0.172SC..THydrogen-bonded Turntrans-45.9135-177.5-177.2177.9148.300112.1E52 K53 T54 G59 S143E52-E57 WeakPolarHBondContact CA-OE2 3.39Å; K53-E57 PolarHBondContact N-OE2 3.14Å; T54-E57 PolarHBondContact O-N 3.08Å; T54-E57 PolarHBondContact OG1-N 3.05Å; E57-G59 PolarHBondContact O-N 3.35Å; E57-S143 PolarHBondContact O-OG 3.11Å
58G97.1Very high98.1Very high38 Ų3836.5 Ų36.539%0.39219%0.185SC..THydrogen-bonded Turntrans82.9-13.6-178.400000115Y56Y56-G58 PolarHBondContact O-N 2.99Å
59G98.4Very high97.9Very high1 Ų146.7 Ų46.71%0.0122%0.223CC..  trans-89.7158.5-176.100000113.6G50 Y56 E57 S143 S146G50-G59 PolarHBondContact N-O 2.68Å; Y56-G59 PolarHBondContact O-N 3.45Å; E57-G59 PolarHBondContact O-N 3.35Å; G59-S143 WeakPolarHBondContact CA-OG 3.32Å; G59-S143 PolarHBondContact N-OG 3.29Å; G59-S146 WeakPolarHBondContact CA-OG 3.41Å
60Y98.8Very high97.7Very high3 Ų346.3 Ų46.31%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-124.7120.7177-72.4-108000108.8V47 R49 S146 L147 N150 A163 E166 I167 K170V47-Y60 HydrophobicContact CG1-CD1 3.92Å; R49-Y60 HydrophobicContact CG-CD1 4.05Å; R49-Y60 HydrophobicContact CG-CE1 3.75Å; Y60-S146 PolarHBondContact N-OG 3.01Å; Y60-S146 WeakPolarHBondContact O-CB 3.26Å; Y60-L147 HydrophobicContact CD2-CD2 3.43Å; Y60-L147 VanDerWaalsContact CD2-CD2 3.43Å; Y60-L147 HydrophobicContact CE2-CD2 3.84Å; Y60-L147 HydrophobicContact CG-CD2 4.45Å; Y60-N150 WeakPolarHBondContact CB-ND2 3.32Å; Y60-N150 PolarHBondContact O-ND2 3.3Å; Y60-A163 HydrophobicContact CD1-CB 4.44Å; Y60-A163 HydrophobicContact CE1-CB 4.39Å; Y60-E166 WeakPolarHBondContact OH-CG 3.4Å; Y60-E166 PolarHBondContact OH-OE1 2.74Å; Y60-E166 PolarHBondContact OH-OE2 3.43Å; Y60-I167 HydrophobicContact CD1-CD1 4.08Å; Y60-I167 HydrophobicContact CD1-CG1 4.22Å; Y60-I167 HydrophobicContact CD2-CD1 4.17Å; Y60-I167 HydrophobicContact CD2-CG1 3.92Å; Y60-I167 HydrophobicContact CE1-CG1 4.21Å; Y60-I167 HydrophobicContact CE2-CG1 3.92Å; Y60-I167 HydrophobicContact CG-CD1 3.9Å; Y60-I167 HydrophobicContact CG-CG1 4.08Å; Y60-K170 HydrophobicContact CE2-CD 4.4Å; Y60-K170 PolarHBondContact OH-NZ 3.37Å
61Y98.9Very high97.6Very high0 Ų046 Ų460%022%0.224CC..EExtended strand (participates in β ladder)trans-116.3100.9-173.2-50.3-80.7000109.8V47 V48 Y56 T82 N84 M122 S143V47-Y61 WeakPolarHBondContact CA-O 3.36Å; V48-Y61 PolarHBondContact N-O 3.49Å; V48-Y61 WeakPolarHBondContact O-CD2 3.4Å; V48-Y61 PolarHBondContact O-N 2.99Å; Y56-Y61 VanDerWaalsContact CA-OH 3.24Å; Y56-Y61 WeakPolarHBondContact CA-OH 3.42Å; Y56-Y61 WeakPolarHBondContact CB-OH 3.49Å; Y56-Y61 HydrophobicContact CD1-CE2 4.41Å; Y56-Y61 AromaticContact CD1-CZ 3.99Å; Y56-Y61 HydrophobicContact CG-CE2 4.44Å; Y56-Y61 PolarHBondContact O-OH 3.39Å; Y61-T82 HydrophobicContact CD1-CG2 4.45Å; Y61-N84 HydrophobicContact CD1-CB 3.55Å; Y61-N84 HydrophobicContact CE1-CB 3.77Å; Y61-M122 HydrophobicContact CD1-CE 3.94Å; Y61-M122 HydrophobicContact CD2-CE 3.56Å; Y61-M122 HydrophobicContact CD2-SD 4.5Å; Y61-M122 HydrophobicContact CE1-CE 4.12Å; Y61-M122 HydrophobicContact CE2-CE 3.81Å; Y61-M122 HydrophobicContact CG-CE 3.64Å; Y61-S143 WeakPolarHBondContact OH-CB 3.41Å
62H98.9Very high97.4Very high2 Ų245.8 Ų45.81%0.00922%0.222CC..EExtended strand (participates in β ladder)trans-77.5136174.7-179.3-136.9000110.2H45 Y46 I81 T82 F156 F160H45-H62 AromaticContact CE1-CE1 3.97Å; H45-H62 AromaticContact CE1-NE2 3.94Å; H45-H62 AromaticContact CG-NE2 3.54Å; H45-H62 AromaticContact ND1-CD2 3.95Å; H45-H62 AromaticContact ND1-CE1 3.33Å; H45-H62 PolarHBondContact ND1-CE1 3.21Å; H45-H62 VanDerWaalsContact ND1-CE1 3.33Å; H45-H62 AromaticContact ND1-NE2 2.92Å; H45-H62 PolarHBondContact ND1-NE2 3.02Å; Y46-H62 WeakPolarHBondContact O-CA 3.46Å; Y46-H62 PolarHBondContact O-CD2 2.94Å; H62-I81 WeakPolarHBondContact O-CA 3.32Å; H62-I81 WeakPolarHBondContact O-CB 3.35Å; H62-I81 PolarHBondContact O-N 2.99Å; H62-T82 VanDerWaalsContact CB-OG1 3.32Å; H62-T82 WeakPolarHBondContact CB-OG1 3.28Å; H62-T82 PolarHBondContact N-OG1 2.8Å; H62-T82 PolarHBondContact O-N 3.41Å; H62-T82 VanDerWaalsContact O-N 3.08Å; H62-F156 HydrophobicContact CB-CD2 3.83Å; H62-F156 HydrophobicContact CB-CE2 4.36Å; H62-F156 AromaticContact CG-CD2 3.88Å; H62-F160 AromaticContact CD2-CE2 3.81Å; H62-F160 AromaticContact NE2-CE2 3.84Å
63G98.8Very high97.2Very high0 Ų047 Ų470%023%0.227CC..EExtended strand (participates in β ladder)trans-151.9-171.8174.700000111.5H45 Y46 Y79H45-G63 WeakPolarHBondContact CA-O 3.35Å; H45-G63 PolarHBondContact ND1-O 3.43Å; Y46-G63 VanDerWaalsContact CE1-C 3.49Å; Y46-G63 PolarHBondContact N-O 2.96Å; Y46-G63 PolarHBondContact O-N 3.43Å; G63-Y79 CarbonylContact C-O 3.51Å; G63-Y79 WeakPolarHBondContact CA-O 3.4Å
64K98.5Very high97Very high55 Ų5542.7 Ų42.724%0.23921%0.208CC..EExtended strand (participates in β ladder)trans-147.5152.2178.364.4-177.8-170.3172.20114.7E43 W44 I66 Y79 I81E43-K64 VanDerWaalsContact OE1-CD 3.3Å; E43-K64 WeakPolarHBondContact OE1-CD 3.49Å; E43-K64 IonicContact OE1-NZ 3.66Å; E43-K64 PolarHBondContact OE1-NZ 3.45Å; W44-K64 CarbonylContact O-C 3.31Å; W44-K64 WeakPolarHBondContact O-CA 3.43Å; W44-K64 VanDerWaalsContact O-CB 3.28Å; W44-K64 WeakPolarHBondContact O-CB 3.39Å; K64-I66 HydrophobicContact CD-CD1 4.19Å; K64-Y79 HydrophobicContact CG-CD2 4.11Å; K64-Y79 HydrophobicContact CG-CG 4.36Å; K64-Y79 PolarHBondContact N-O 3.26Å; K64-Y79 PolarHBondContact O-N 3.33Å; K64-I81 HydrophobicContact CD-CD1 4.38Å; K64-I81 HydrophobicContact CG-CD1 4.4Å
65L98.4Very high96.8Very high1 Ų142.1 Ų42.11%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-109.2131.6170.7-55.9177.4000108.8E43 W44 Y46 F67 P76 S77 I78 V111 I114 L115E43-L65 WeakPolarHBondContact CA-O 3.25Å; W44-L65 HydrophobicContact CB-CB 4.38Å; W44-L65 PolarHBondContact N-O 3.08Å; W44-L65 PolarHBondContact O-N 3.41Å; Y46-L65 HydrophobicContact CD1-CD2 4.32Å; Y46-L65 HydrophobicContact CD1-CG 4.01Å; Y46-L65 HydrophobicContact CE1-CD2 4.03Å; Y46-L65 HydrophobicContact CE1-CG 4.17Å; L65-F67 HydrophobicContact CB-CD2 4.44Å; L65-F67 HydrophobicContact CB-CE2 3.7Å; L65-F67 HydrophobicContact CB-CZ 3.83Å; L65-F67 HydrophobicContact CD1-CE2 4.24Å; L65-F67 HydrophobicContact CD1-CZ 3.68Å; L65-F67 HydrophobicContact CG-CZ 4.41Å; L65-P76 HydrophobicContact CB-CB 4.47Å; L65-S77 WeakPolarHBondContact CA-O 3.4Å; L65-I78 HydrophobicContact CD2-CB 4.14Å; L65-I78 HydrophobicContact CD2-CD1 4.11Å; L65-I78 HydrophobicContact CD2-CG1 3.63Å; L65-I78 HydrophobicContact CD2-CG2 3.92Å; L65-V111 HydrophobicContact CD1-CG1 3.98Å; L65-I114 HydrophobicContact CD2-CG2 4.28Å; L65-L115 HydrophobicContact CD1-CD2 3.93Å; L65-L115 HydrophobicContact CD1-CG 4.2Å; L65-L115 HydrophobicContact CD2-CD2 4.3Å; L65-L115 HydrophobicContact CG-CD2 4.29Å
66I98.1Very high96.6Very high50 Ų5041 Ų4126%0.25620%0.197SC..EExtended strand (participates in β ladder)trans-114.4110.8173.4-53-62.2000108.3E43 K64 P76 S77 Y79E43-I66 HydrophobicContact CB-CD1 3.86Å; E43-I66 VanDerWaalsContact CD-CD1 3.42Å; E43-I66 HydrophobicContact CG-CD1 3.46Å; E43-I66 VanDerWaalsContact CG-CD1 3.46Å; K64-I66 HydrophobicContact CD-CD1 4.19Å; I66-P76 CarbonylContact O-C 3.48Å; I66-P76 VanDerWaalsContact O-CA 3.25Å; I66-P76 WeakPolarHBondContact O-CA 3.24Å; I66-P76 WeakPolarHBondContact O-CB 3.14Å; I66-S77 PolarHBondContact N-O 3.1Å; I66-S77 PolarHBondContact O-N 3.28Å; I66-Y79 HydrophobicContact CB-CE2 4.27Å; I66-Y79 HydrophobicContact CG1-CD2 4.12Å; I66-Y79 HydrophobicContact CG1-CE2 3.63Å
67F97.5Very high96.5Very high6 Ų641.2 Ų41.23%0.02620%0.199CC..  trans-88.8131.8-177.6-62.1-84.3000111.2L17 L42 W44 L65 F71 P76 V111 I114L17-F67 HydrophobicContact CD1-CB 4.03Å; L17-F67 HydrophobicContact CD1-CD1 4.49Å; L17-F67 HydrophobicContact CD1-CD2 4.03Å; L17-F67 HydrophobicContact CD1-CG 3.92Å; L17-F67 HydrophobicContact CD2-CD1 3.82Å; L17-F67 HydrophobicContact CD2-CD2 3.87Å; L17-F67 HydrophobicContact CD2-CE1 3.72Å; L17-F67 HydrophobicContact CD2-CE2 3.77Å; L17-F67 HydrophobicContact CD2-CG 3.9Å; L17-F67 HydrophobicContact CD2-CZ 3.7Å; L42-F67 HydrophobicContact CB-CB 4.38Å; L42-F67 HydrophobicContact CD2-CB 4.28Å; L42-F67 WeakPolarHBondContact O-CD2 3.33Å; L42-F67 PolarHBondContact O-N 3.45Å; W44-F67 HydrophobicContact CB-CE2 4Å; W44-F67 AromaticContact CD1-CD2 3.89Å; W44-F67 AromaticContact CD1-CE2 3.48Å; W44-F67 VanDerWaalsContact CD1-CE2 3.48Å; W44-F67 HydrophobicContact CD2-CE2 4.27Å; W44-F67 HydrophobicContact CG-CD2 4.47Å; W44-F67 AromaticContact CG-CE2 3.67Å; W44-F67 HydrophobicContact CG-CE2 3.67Å; W44-F67 AromaticContact NE1-CE2 3.95Å; L65-F67 HydrophobicContact CB-CD2 4.44Å; L65-F67 HydrophobicContact CB-CE2 3.7Å; L65-F67 HydrophobicContact CB-CZ 3.83Å; L65-F67 HydrophobicContact CD1-CE2 4.24Å; L65-F67 HydrophobicContact CD1-CZ 3.68Å; L65-F67 HydrophobicContact CG-CZ 4.41Å; F67-F71 HydrophobicContact CB-CB 4.32Å; F67-F71 HydrophobicContact CB-CG 4.45Å; F67-F71 HydrophobicContact CD1-CB 4.48Å; F67-F71 HydrophobicContact CD1-CD1 4.08Å; F67-F71 AromaticContact CD1-CD2 3.54Å; F67-F71 HydrophobicContact CD1-CD2 3.54Å; F67-F71 HydrophobicContact CD1-CE1 4.15Å; F67-F71 AromaticContact CD1-CE2 3.66Å; F67-F71 HydrophobicContact CD1-CE2 3.66Å; F67-F71 AromaticContact CD1-CG 3.77Å; F67-F71 HydrophobicContact CD1-CG 3.77Å; F67-F71 AromaticContact CD1-CZ 3.98Å; F67-F71 HydrophobicContact CD1-CZ 3.98Å; F67-F71 HydrophobicContact CE1-CD2 4.12Å; F67-F71 HydrophobicContact CE1-CE1 4.27Å; F67-F71 AromaticContact CE1-CE2 3.74Å; F67-F71 HydrophobicContact CE1-CE2 3.74Å; F67-F71 AromaticContact CE1-CZ 3.83Å; F67-F71 HydrophobicContact CE1-CZ 3.83Å; F67-P76 HydrophobicContact CD1-CB 3.63Å; F67-P76 HydrophobicContact CD1-CG 4.1Å; F67-P76 HydrophobicContact CE1-CB 3.77Å; F67-P76 HydrophobicContact CE1-CG 3.82Å; F67-P76 HydrophobicContact CG-CB 4.2Å; F67-P76 HydrophobicContact CZ-CB 4.43Å; F67-V111 HydrophobicContact CE1-CG2 4.18Å; F67-V111 HydrophobicContact CZ-CG2 3.73Å; F67-I114 HydrophobicContact CE1-CD1 4.49Å
68P96.3Very high96.4Very high41 Ų4136.7 Ų36.727%0.26618%0.178SC..  trans-70.7160.5170.430.7-34.9000110.9D70 F71 K74 P75P68-D70 PolarHBondContact O-N 2.93Å; P68-D70 VanDerWaalsContact O-N 3.16Å; P68-F71 HydrophobicContact CG-CB 4.39Å; P68-F71 VanDerWaalsContact O-CB 3.29Å; P68-F71 WeakPolarHBondContact O-CB 3.31Å; P68-F71 PolarHBondContact O-N 3.32Å; P68-K74 HydrophobicContact CG-CB 3.72Å; P68-P75 VanDerWaalsContact CD-O 3.26Å; P68-P75 WeakPolarHBondContact CD-O 3.18Å; P68-P75 WeakPolarHBondContact CG-O 3.38Å
69R95.9Very high96.4Very high214 Ų21436.5 Ų36.581%0.80817%0.166SC*.THydrogen-bonded Turntrans-60.1-24.9174.3-68.6-176.3179.8-94.2-0113.2A13 L42 F71A13-R69 WeakPolarHBondContact CB-O 3.48Å; L42-R69 HydrophobicContact CD1-CG 4.25Å; R69-F71 VanDerWaalsContact C-N 3.31Å
70D94.6Very high96.4Very high81 Ų8136.5 Ų36.543%0.43317%0.166SC..THydrogen-bonded Turntrans-86.13.5178.9-56.4-21.4000113P68 F73 K74P68-D70 PolarHBondContact O-N 2.93Å; P68-D70 VanDerWaalsContact O-N 3.16Å; D70-F73 WeakPolarHBondContact O-CA 3.47Å; D70-F73 WeakPolarHBondContact O-CB 3.36Å; D70-F73 PolarHBondContact O-N 2.95Å; D70-K74 HydrophobicContact CB-CB 4.32Å; D70-K74 HydrophobicContact CB-CD 3.98Å; D70-K74 HydrophobicContact CB-CG 4.11Å; D70-K74 PolarHBondContact O-N 3.3Å; D70-K74 WeakPolarHBondContact OD2-CE 3.48Å; D70-K74 IonicContact OD2-NZ 3.54Å; D70-K74 PolarHBondContact OD2-NZ 2.94Å
71F95.4Very high96.4Very high2 Ų237.4 Ų37.41%0.00917%0.17CC..THydrogen-bonded Turntrans-58.4136.3172.7-176.6-97.9000109.8A13 R16 L17 F67 P68 R69 K74 W105 I114A13-F71 WeakPolarHBondContact CA-O 3.5Å; A13-F71 HydrophobicContact CB-CB 3.99Å; A13-F71 VanDerWaalsContact CB-O 3.23Å; A13-F71 WeakPolarHBondContact CB-O 3.38Å; A13-F71 PolarHBondContact N-O 3.39Å; R16-F71 HydrophobicContact CB-CE1 4.48Å; R16-F71 HydrophobicContact CG-CD1 4.05Å; R16-F71 HydrophobicContact CG-CE1 3.62Å; L17-F71 HydrophobicContact CD1-CD1 4.27Å; L17-F71 HydrophobicContact CD2-CD1 3.93Å; L17-F71 HydrophobicContact CD2-CE1 3.54Å; L17-F71 HydrophobicContact CD2-CZ 4.24Å; L17-F71 HydrophobicContact CG-CD1 3.84Å; L17-F71 HydrophobicContact CG-CE1 3.85Å; F67-F71 HydrophobicContact CB-CB 4.32Å; F67-F71 HydrophobicContact CB-CG 4.45Å; F67-F71 HydrophobicContact CD1-CB 4.48Å; F67-F71 HydrophobicContact CD1-CD1 4.08Å; F67-F71 AromaticContact CD1-CD2 3.54Å; F67-F71 HydrophobicContact CD1-CD2 3.54Å; F67-F71 HydrophobicContact CD1-CE1 4.15Å; F67-F71 AromaticContact CD1-CE2 3.66Å; F67-F71 HydrophobicContact CD1-CE2 3.66Å; F67-F71 AromaticContact CD1-CG 3.77Å; F67-F71 HydrophobicContact CD1-CG 3.77Å; F67-F71 AromaticContact CD1-CZ 3.98Å; F67-F71 HydrophobicContact CD1-CZ 3.98Å; F67-F71 HydrophobicContact CE1-CD2 4.12Å; F67-F71 HydrophobicContact CE1-CE1 4.27Å; F67-F71 AromaticContact CE1-CE2 3.74Å; F67-F71 HydrophobicContact CE1-CE2 3.74Å; F67-F71 AromaticContact CE1-CZ 3.83Å; F67-F71 HydrophobicContact CE1-CZ 3.83Å; P68-F71 HydrophobicContact CG-CB 4.39Å; P68-F71 VanDerWaalsContact O-CB 3.29Å; P68-F71 WeakPolarHBondContact O-CB 3.31Å; P68-F71 PolarHBondContact O-N 3.32Å; R69-F71 VanDerWaalsContact C-N 3.31Å; F71-K74 WeakPolarHBondContact CD2-O 3.46Å; F71-W105 HydrophobicContact CD2-CZ2 4.36Å; F71-W105 HydrophobicContact CE2-CH2 4.15Å; F71-W105 AromaticContact CE2-CZ2 3.86Å; F71-W105 HydrophobicContact CE2-CZ2 3.86Å; F71-I114 HydrophobicContact CE2-CD1 4.45Å
72P94.8Very high96.4Very high10 Ų1037.4 Ų37.47%0.06517%0.17CC..THydrogen-bonded Turncis-94.29.410.639.3-38000115.3R16 K74 W105 P107R16-P72 HydrophobicContact CG-CB 4.15Å; R16-P72 HydrophobicContact CG-CG 4.06Å; R16-P72 VanDerWaalsContact NH1-CG 3.32Å; P72-K74 VanDerWaalsContact C-N 3.29Å; P72-W105 PolarHBondContact O-NE1 3.03Å; P72-P107 HydrophobicContact CB-CB 4.4Å; P72-P107 WeakPolarHBondContact CB-O 3.17Å; P72-P107 HydrophobicContact CG-CB 4.48Å; P72-P107 VanDerWaalsContact O-CA 3.3Å; P72-P107 WeakPolarHBondContact O-CA 3.3Å; P72-P107 VanDerWaalsContact O-CB 3.29Å; P72-P107 WeakPolarHBondContact O-CB 3.49Å
73F92.4Very high96.4Very high137 Ų13739.5 Ų39.560%0.60118%0.184SC*.THydrogen-bonded Turntrans-76.8-20.8-179.8-55.4-71.6000112.7D70 P107D70-F73 WeakPolarHBondContact O-CA 3.47Å; D70-F73 WeakPolarHBondContact O-CB 3.36Å; D70-F73 PolarHBondContact O-N 2.95Å; F73-P107 HydrophobicContact CD1-CB 4.4Å; F73-P107 HydrophobicContact CD1-CG 4.36Å
74K91.3Very high96.4Very high110 Ų11039.5 Ų39.548%0.47818%0.184SC..SBendtrans-116.6141.1165.8-67.5-178-175.7156.70110.6P68 D70 F71 P72P68-K74 HydrophobicContact CG-CB 3.72Å; D70-K74 HydrophobicContact CB-CB 4.32Å; D70-K74 HydrophobicContact CB-CD 3.98Å; D70-K74 HydrophobicContact CB-CG 4.11Å; D70-K74 PolarHBondContact O-N 3.3Å; D70-K74 WeakPolarHBondContact OD2-CE 3.48Å; D70-K74 IonicContact OD2-NZ 3.54Å; D70-K74 PolarHBondContact OD2-NZ 2.94Å; F71-K74 WeakPolarHBondContact CD2-O 3.46Å; P72-K74 VanDerWaalsContact C-N 3.29Å
75P92.9Very high96.3Very high8 Ų837 Ų375%0.05217%0.174CC..PPolyproline II helixtrans-66.7161.7176.628.3-38.1000113.1P68 T98 D99 W105P68-P75 VanDerWaalsContact CD-O 3.26Å; P68-P75 WeakPolarHBondContact CD-O 3.18Å; P68-P75 WeakPolarHBondContact CG-O 3.38Å; P75-T98 VanDerWaalsContact CG-C 3.46Å; P75-D99 HydrophobicContact CG-CB 3.89Å; P75-D99 VanDerWaalsContact CG-N 3.3Å; P75-W105 HydrophobicContact CB-CD2 3.6Å; P75-W105 HydrophobicContact CB-CE3 3.49Å; P75-W105 VanDerWaalsContact CB-CE3 3.49Å; P75-W105 HydrophobicContact CB-CG 4.14Å; P75-W105 HydrophobicContact CB-CH2 4.15Å; P75-W105 HydrophobicContact CB-CZ2 4.28Å; P75-W105 HydrophobicContact CB-CZ3 3.75Å; P75-W105 HydrophobicContact CG-CD2 4.24Å; P75-W105 HydrophobicContact CG-CE3 4.44Å; P75-W105 HydrophobicContact CG-CG 4.27Å
76P95.7Very high96.2Very high0 Ų037.6 Ų37.60%018%0.176CC..PPolyproline II helixtrans-77.9159.5168.133.3-33.6000112.6L65 I66 F67 I114L65-P76 HydrophobicContact CB-CB 4.47Å; I66-P76 CarbonylContact O-C 3.48Å; I66-P76 VanDerWaalsContact O-CA 3.25Å; I66-P76 WeakPolarHBondContact O-CA 3.24Å; I66-P76 WeakPolarHBondContact O-CB 3.14Å; F67-P76 HydrophobicContact CD1-CB 3.63Å; F67-P76 HydrophobicContact CD1-CG 4.1Å; F67-P76 HydrophobicContact CE1-CB 3.77Å; F67-P76 HydrophobicContact CE1-CG 3.82Å; F67-P76 HydrophobicContact CG-CB 4.2Å; F67-P76 HydrophobicContact CZ-CB 4.43Å; P76-I114 HydrophobicContact CG-CD1 3.96Å; P76-I114 HydrophobicContact CG-CG2 4.39Å
77S94.9Very high96.1Very high12 Ų1235.3 Ų35.38%0.08417%0.165CC..EExtended strand (participates in β ladder)trans-84.4140.9160.6-53.60000110L65 I66 D99L65-S77 WeakPolarHBondContact CA-O 3.4Å; I66-S77 PolarHBondContact N-O 3.1Å; I66-S77 PolarHBondContact O-N 3.28Å; S77-D99 PolarHBondContact OG-OD2 3.46Å
78I96.4Very high96.1Very high0 Ų041 Ų410%019%0.189CC..EExtended strand (participates in β ladder)trans-114.9139.4-177.4-49.1-174.2000110.2Y46 L65 L93 L95 I97 T98 I114 L118Y46-I78 HydrophobicContact CE1-CG2 4.29Å; L65-I78 HydrophobicContact CD2-CB 4.14Å; L65-I78 HydrophobicContact CD2-CD1 4.11Å; L65-I78 HydrophobicContact CD2-CG1 3.63Å; L65-I78 HydrophobicContact CD2-CG2 3.92Å; I78-L93 HydrophobicContact CB-CB 4.47Å; I78-L93 HydrophobicContact CG2-CD1 4.34Å; I78-L93 PolarHBondContact O-N 2.73Å; I78-L95 HydrophobicContact CD1-CD1 4.36Å; I78-I97 HydrophobicContact CD1-CD1 4.3Å; I78-I97 HydrophobicContact CD1-CG1 4.45Å; I78-T98 HydrophobicContact CB-CG2 4.48Å; I78-T98 HydrophobicContact CD1-CG2 3.54Å; I78-T98 HydrophobicContact CG1-CG2 3.78Å; I78-I114 HydrophobicContact CD1-CG2 3.84Å; I78-L118 HydrophobicContact CG2-CD1 4.16Å; I78-L118 HydrophobicContact CG2-CD2 3.99Å
79Y97.3Very high96.1Very high34 Ų3440.9 Ų40.913%0.13319%0.189CC..EExtended strand (participates in β ladder)trans-139137.7-179.7-55.7-99.3000111.1Y46 G63 K64 I66 R92Y46-Y79 PolarHBondContact OH-O 2.94Å; G63-Y79 CarbonylContact C-O 3.51Å; G63-Y79 WeakPolarHBondContact CA-O 3.4Å; K64-Y79 HydrophobicContact CG-CD2 4.11Å; K64-Y79 HydrophobicContact CG-CG 4.36Å; K64-Y79 PolarHBondContact N-O 3.26Å; K64-Y79 PolarHBondContact O-N 3.33Å; I66-Y79 HydrophobicContact CB-CE2 4.27Å; I66-Y79 HydrophobicContact CG1-CD2 4.12Å; I66-Y79 HydrophobicContact CG1-CE2 3.63Å; Y79-R92 HydrophobicContact CD1-CG 4.43Å; Y79-R92 HydrophobicContact CE1-CB 4.3Å; Y79-R92 HydrophobicContact CE1-CG 3.45Å; Y79-R92 VanDerWaalsContact CE1-CG 3.45Å; Y79-R92 HydrophobicContact CE2-CG 4.41Å; Y79-R92 VanDerWaalsContact CZ-CG 3.44Å; Y79-R92 WeakPolarHBondContact OH-CG 3.28Å; Y79-R92 PolarHBondContact OH-NE 3.03Å
80M98.4Very high96.1Very high0 Ų035.7 Ų35.70%018%0.177CC..EExtended strand (participates in β ladder)trans-98132.8166.6-158.965.77500109.7Y46 N84 F87 C89 N90 M122Y46-M80 HydrophobicContact CE2-CE 4.33Å; Y46-M80 HydrophobicContact CE2-SD 4.11Å; M80-N84 VanDerWaalsContact CG-ND2 3.28Å; M80-N84 WeakPolarHBondContact CG-ND2 3.41Å; M80-F87 HydrophobicContact CB-CB 4.21Å; M80-F87 HydrophobicContact CE-CD2 3.8Å; M80-F87 HydrophobicContact CE-CE2 4.17Å; M80-C89 CarbonylContact O-C 3.6Å; M80-C89 VanDerWaalsContact O-CA 3.24Å; M80-C89 WeakPolarHBondContact O-CA 3.12Å; M80-N90 PolarHBondContact O-N 3.47Å; M80-M122 HydrophobicContact CE-SD 4.08Å
81I98.6Very high96.1Very high22 Ų2234.1 Ų34.111%0.11317%0.171CC..  trans-98.4-52.4179.1-62.9164.4000108.9H62 K64 C89 F149H62-I81 WeakPolarHBondContact O-CA 3.32Å; H62-I81 WeakPolarHBondContact O-CB 3.35Å; H62-I81 PolarHBondContact O-N 2.99Å; K64-I81 HydrophobicContact CD-CD1 4.38Å; K64-I81 HydrophobicContact CG-CD1 4.4Å; I81-C89 PolarHBondContact O-SG 3.47Å; I81-F149 HydrophobicContact CG2-CE1 4.34Å
82T98.8Very high95.9Very high0 Ų040 Ų400%019%0.193CC..SBendtrans-64.7131.2-178.7-48.40000111.5Y61 H62 N84 F149 N150Y61-T82 HydrophobicContact CD1-CG2 4.45Å; H62-T82 VanDerWaalsContact CB-OG1 3.32Å; H62-T82 WeakPolarHBondContact CB-OG1 3.28Å; H62-T82 PolarHBondContact N-OG1 2.8Å; H62-T82 PolarHBondContact O-N 3.41Å; H62-T82 VanDerWaalsContact O-N 3.08Å; T82-N84 PolarHBondContact O-N 3.08Å; T82-N84 PolarHBondContact O-ND2 2.84Å; T82-F149 HydrophobicContact CG2-CD1 3.87Å; T82-F149 HydrophobicContact CG2-CE1 4.4Å; T82-N150 PolarHBondContact OG1-OD1 3.27Å
83P98.7Very high95.5Very high46 Ų4639.5 Ų39.530%0.29919%0.19SC..  trans-53.9126.4170.5-28.637.4000112.3L142 F149P83-L142 HydrophobicContact CB-CD2 3.91Å; P83-F149 HydrophobicContact CG-CD2 4.35Å; P83-F149 HydrophobicContact CG-CE2 4.18Å
84N98.4Very high94.9Very high1 Ų133.7 Ų33.71%0.00517%0.166CC..  trans-141.2-13.9-16661.381.8000114.6Y61 M80 T82 R86 F87 M122Y61-N84 HydrophobicContact CD1-CB 3.55Å; Y61-N84 HydrophobicContact CE1-CB 3.77Å; M80-N84 VanDerWaalsContact CG-ND2 3.28Å; M80-N84 WeakPolarHBondContact CG-ND2 3.41Å; T82-N84 PolarHBondContact O-N 3.08Å; T82-N84 PolarHBondContact O-ND2 2.84Å; N84-R86 PolarHBondContact O-N 2.86Å; N84-R86 WeakPolarHBondContact OD1-CA 3.12Å; N84-R86 WeakPolarHBondContact OD1-CB 3.43Å; N84-R86 PolarHBondContact OD1-N 2.77Å; N84-F87 PolarHBondContact ND2-O 2.73Å; N84-F87 VanDerWaalsContact ND2-O 3.16Å; N84-F87 PolarHBondContact OD1-N 2.59Å; N84-F87 PolarHBondContact OD1-O 3.28Å; N84-M122 HydrophobicContact CB-CE 4.26Å
85G97.1Very high94.1Very high2 Ų228.5 Ų28.52%0.02114%0.143CC..SBendtrans74.84.2176.700000115.5T134 L142G85-T134 WeakPolarHBondContact CA-OG1 3.18Å; G85-T134 PolarHBondContact O-OG1 2.95Å; G85-L142 VanDerWaalsContact N-CD1 3.34Å
86R96.6Very high92.7Very high13 Ų1330.7 Ų30.75%0.04916%0.159CC..SBendtrans-116.8-41.9178.3173.557.3-178.3130.42.3112.8Y56 N84 F121 M122 G126 S131 I132Y56-R86 HydrophobicContact CE1-CB 4.14Å; Y56-R86 VanDerWaalsContact OH-CB 3.31Å; Y56-R86 WeakPolarHBondContact OH-CB 3.23Å; N84-R86 PolarHBondContact O-N 2.86Å; N84-R86 WeakPolarHBondContact OD1-CA 3.12Å; N84-R86 WeakPolarHBondContact OD1-CB 3.43Å; N84-R86 PolarHBondContact OD1-N 2.77Å; R86-F121 PolarHBondContact NE-O 2.76Å; R86-F121 PolarHBondContact NH2-O 3.34Å; R86-M122 HydrophobicContact CG-CG 4.36Å; R86-G126 PolarHBondContact NH1-O 2.85Å; R86-G126 VanDerWaalsContact NH1-O 3.11Å; R86-G126 PolarHBondContact NH2-O 3.02Å; R86-S131 CarbonylContact O-C 3.5Å; R86-S131 WeakPolarHBondContact O-CA 3.5Å; R86-S131 WeakPolarHBondContact O-CB 3.33Å; R86-I132 PolarHBondContact O-N 2.97Å
87F96.6Very high91.2Very high3 Ų331.4 Ų31.41%0.01316%0.163CC..BIsolated β-bridgetrans-120136.4-179.3-59.5-54.8000109.8M80 N84 C89 L93 L95 L118 F121 M122 G130M80-F87 HydrophobicContact CB-CB 4.21Å; M80-F87 HydrophobicContact CE-CD2 3.8Å; M80-F87 HydrophobicContact CE-CE2 4.17Å; N84-F87 PolarHBondContact ND2-O 2.73Å; N84-F87 VanDerWaalsContact ND2-O 3.16Å; N84-F87 PolarHBondContact OD1-N 2.59Å; N84-F87 PolarHBondContact OD1-O 3.28Å; F87-C89 PolarHBondContact O-N 3.16Å; F87-L93 HydrophobicContact CB-CD1 3.99Å; F87-L93 HydrophobicContact CB-CD2 3.79Å; F87-L93 HydrophobicContact CD1-CD1 3.91Å; F87-L93 HydrophobicContact CD1-CD2 3.97Å; F87-L93 HydrophobicContact CD2-CD1 3.92Å; F87-L93 HydrophobicContact CE1-CD1 4.37Å; F87-L93 HydrophobicContact CE2-CD1 4.36Å; F87-L93 HydrophobicContact CG-CD1 3.67Å; F87-L93 HydrophobicContact CG-CD2 4.06Å; F87-L95 HydrophobicContact CE1-CD2 4.35Å; F87-L118 HydrophobicContact CE2-CD1 3.95Å; F87-L118 HydrophobicContact CZ-CD1 4.24Å; F87-F121 HydrophobicContact CZ-CB 4.47Å; F87-M122 HydrophobicContact CE2-CB 3.81Å; F87-M122 HydrophobicContact CE2-CG 3.93Å; F87-M122 HydrophobicContact CZ-CB 4.23Å; F87-G130 WeakPolarHBondContact CA-O 3.39Å
88K96.1Very high89.6Confident124 Ų12430.9 Ų30.954%0.53916%0.159SC..  trans-63.4122.4170.6-171175.9179.4178.70108.8T91 G130 I132K88-T91 HydrophobicContact CD-CG2 4.49Å; K88-T91 WeakPolarHBondContact CG-OG1 3.46Å; K88-G130 WeakPolarHBondContact CB-O 3.49Å; K88-G130 PolarHBondContact N-O 2.8Å; K88-I132 HydrophobicContact CB-CG2 3.99Å
89C97.6Very high87.9Confident40 Ų4033.2 Ų33.227%0.2717%0.171SC..THydrogen-bonded Turntrans-60.7147.9-178.6-63.90000112M80 I81 F87 T91M80-C89 CarbonylContact O-C 3.6Å; M80-C89 VanDerWaalsContact O-CA 3.24Å; M80-C89 WeakPolarHBondContact O-CA 3.12Å; I81-C89 PolarHBondContact O-SG 3.47Å; F87-C89 PolarHBondContact O-N 3.16Å; C89-T91 PolarHBondContact O-N 2.87Å; C89-T91 PolarHBondContact O-OG1 2.98Å
90N96Very high86.1Confident105 Ų10535.7 Ų35.756%0.56118%0.183SC*.THydrogen-bonded Turntrans53.124.1174.2-55.4-52.1000114.2M80M80-N90 PolarHBondContact O-N 3.47Å
91T94.2Very high84.8Confident48 Ų4839.7 Ų39.729%0.29420%0.201SC..SBendtrans-114.6143.6176.1-55.40000108.2K88 C89 L93K88-T91 HydrophobicContact CD-CG2 4.49Å; K88-T91 WeakPolarHBondContact CG-OG1 3.46Å; C89-T91 PolarHBondContact O-N 2.87Å; C89-T91 PolarHBondContact O-OG1 2.98Å; T91-L93 PolarHBondContact O-N 3.13Å
92R90.8Very high83.2Confident125 Ų12542.5 Ų42.547%0.47222%0.221SC..  trans-59.6127174.5-71.8-173.2-169.8-174.38.6109.7Y79 D99 F100Y79-R92 HydrophobicContact CD1-CG 4.43Å; Y79-R92 HydrophobicContact CE1-CB 4.3Å; Y79-R92 HydrophobicContact CE1-CG 3.45Å; Y79-R92 VanDerWaalsContact CE1-CG 3.45Å; Y79-R92 HydrophobicContact CE2-CG 4.41Å; Y79-R92 VanDerWaalsContact CZ-CG 3.44Å; Y79-R92 WeakPolarHBondContact OH-CG 3.28Å; Y79-R92 PolarHBondContact OH-NE 3.03Å; R92-D99 IonicContact NH1-OD2 2.82Å; R92-D99 PolarHBondContact NH1-OD2 2.87Å; R92-F100 HydrophobicContact CB-CE2 3.95Å; R92-F100 HydrophobicContact CB-CZ 4.06Å
93L87.6Confident82Confident0 Ų050.2 Ų50.20%026%0.262CS..BIsolated β-bridgetrans-91130.5174.1-52.2-177.3000108.9I78 F87 T91 L95 T98 L118I78-L93 HydrophobicContact CB-CB 4.47Å; I78-L93 HydrophobicContact CG2-CD1 4.34Å; I78-L93 PolarHBondContact O-N 2.73Å; F87-L93 HydrophobicContact CB-CD1 3.99Å; F87-L93 HydrophobicContact CB-CD2 3.79Å; F87-L93 HydrophobicContact CD1-CD1 3.91Å; F87-L93 HydrophobicContact CD1-CD2 3.97Å; F87-L93 HydrophobicContact CD2-CD1 3.92Å; F87-L93 HydrophobicContact CE1-CD1 4.37Å; F87-L93 HydrophobicContact CE2-CD1 4.36Å; F87-L93 HydrophobicContact CG-CD1 3.67Å; F87-L93 HydrophobicContact CG-CD2 4.06Å; T91-L93 PolarHBondContact O-N 3.13Å; L93-L95 HydrophobicContact CB-CG 4.47Å; L93-T98 WeakPolarHBondContact O-CG2 3.19Å; L93-T98 PolarHBondContact O-OG1 3.35Å; L93-L118 HydrophobicContact CD1-CD1 4.26Å
94C78.3Confident81.1Confident14 Ų1451.8 Ų51.810%0.09527%0.271CS..BIsolated β-bridgetrans-102.482.6-179.9168.40000109T98 F100 T128 L129C94-T98 WeakPolarHBondContact CA-OG1 3.43Å; C94-F100 VanDerWaalsContact CA-CD2 3.45Å; C94-F100 HydrophobicContact CB-CB 3.94Å; C94-F100 HydrophobicContact CB-CD1 4Å; C94-F100 HydrophobicContact CB-CD2 3.34Å; C94-F100 HydrophobicContact CB-CE1 4.33Å; C94-F100 HydrophobicContact CB-CE2 3.69Å; C94-F100 HydrophobicContact CB-CG 3.49Å; C94-F100 VanDerWaalsContact CB-CG 3.49Å; C94-F100 HydrophobicContact CB-CZ 4.17Å; C94-F100 WeakPolarHBondContact SG-CB 3.32Å; C94-F100 WeakPolarHBondContact SG-CG 3.39Å; C94-T128 WeakPolarHBondContact O-CG2 3.34Å; C94-L129 HydrophobicContact CB-CB 3.64Å; C94-L129 HydrophobicContact CB-CD2 3.76Å; C94-L129 HydrophobicContact CB-CG 3.95Å; C94-L129 PolarHBondContact N-O 3.29Å
95L75.8Confident80.6Confident1 Ų152.7 Ų52.71%0.00527%0.274CS..  trans-95.9161.7173.5-43.1178.7000109.3I78 F87 L93 I97 T98 L118 F121 T128I78-L95 HydrophobicContact CD1-CD1 4.36Å; F87-L95 HydrophobicContact CE1-CD2 4.35Å; L93-L95 HydrophobicContact CB-CG 4.47Å; L95-I97 HydrophobicContact CB-CG1 3.83Å; L95-I97 HydrophobicContact CD1-CD1 4.34Å; L95-I97 HydrophobicContact CD1-CG1 4.36Å; L95-I97 PolarHBondContact O-N 2.88Å; L95-T98 HydrophobicContact CB-CG2 3.79Å; L95-T98 HydrophobicContact CG-CG2 4.12Å; L95-T98 PolarHBondContact N-OG1 2.76Å; L95-T98 WeakPolarHBondContact O-CB 3.37Å; L95-T98 PolarHBondContact O-N 2.79Å; L95-T98 PolarHBondContact O-OG1 2.86Å; L95-L118 HydrophobicContact CD1-CB 4.29Å; L95-L118 HydrophobicContact CD1-CD1 3.71Å; L95-F121 HydrophobicContact CB-CD2 3.97Å; L95-F121 HydrophobicContact CB-CE2 4Å; L95-F121 HydrophobicContact CD1-CB 4.19Å; L95-F121 HydrophobicContact CD1-CD2 3.94Å; L95-F121 HydrophobicContact CD1-CG 4.28Å; L95-F121 HydrophobicContact CD2-CB 4.12Å; L95-F121 HydrophobicContact CD2-CD1 4.42Å; L95-F121 HydrophobicContact CD2-CD2 4.28Å; L95-F121 HydrophobicContact CD2-CG 4.03Å; L95-F121 HydrophobicContact CG-CD2 4.29Å; L95-T128 HydrophobicContact CD2-CG2 3.63Å
96S63.4Low80.2Confident54 Ų5456 Ų5638%0.37829%0.291SS..THydrogen-bonded Turntrans-57.5-11.6176.257.30000114.4T104 F121S96-T104 PolarHBondContact O-OG1 3.06Å; S96-F121 WeakPolarHBondContact OG-CE2 3.13Å; S96-F121 WeakPolarHBondContact OG-CZ 3.47Å
97I63.1Low80Confident16 Ų1657.5 Ų57.58%0.08230%0.303CS..THydrogen-bonded Turntrans-101.812177.361.1170.4000113.8I78 L95 W105 W109 I114I78-I97 HydrophobicContact CD1-CD1 4.3Å; I78-I97 HydrophobicContact CD1-CG1 4.45Å; L95-I97 HydrophobicContact CB-CG1 3.83Å; L95-I97 HydrophobicContact CD1-CD1 4.34Å; L95-I97 HydrophobicContact CD1-CG1 4.36Å; L95-I97 PolarHBondContact O-N 2.88Å; I97-W105 VanDerWaalsContact O-CZ3 3.32Å; I97-W105 WeakPolarHBondContact O-CZ3 3.42Å; I97-W109 HydrophobicContact CB-CZ3 4.25Å; I97-W109 HydrophobicContact CG2-CE3 4.24Å; I97-W109 HydrophobicContact CG2-CH2 4.22Å; I97-W109 HydrophobicContact CG2-CZ3 3.83Å; I97-I114 HydrophobicContact CD1-CG2 4.15Å; I97-I114 WeakPolarHBondContact CD1-O 3.48Å
98T62.3Low79.9Confident0 Ų060.9 Ų60.90%033%0.332CS..SBendtrans-118.5174.6-172.167.40000113.6P75 I78 L93 C94 L95 F100 H101P75-T98 VanDerWaalsContact CG-C 3.46Å; I78-T98 HydrophobicContact CB-CG2 4.48Å; I78-T98 HydrophobicContact CD1-CG2 3.54Å; I78-T98 HydrophobicContact CG1-CG2 3.78Å; L93-T98 WeakPolarHBondContact O-CG2 3.19Å; L93-T98 PolarHBondContact O-OG1 3.35Å; C94-T98 WeakPolarHBondContact CA-OG1 3.43Å; L95-T98 HydrophobicContact CB-CG2 3.79Å; L95-T98 HydrophobicContact CG-CG2 4.12Å; L95-T98 PolarHBondContact N-OG1 2.76Å; L95-T98 WeakPolarHBondContact O-CB 3.37Å; L95-T98 PolarHBondContact O-N 2.79Å; L95-T98 PolarHBondContact O-OG1 2.86Å; T98-F100 PolarHBondContact O-N 2.91Å; T98-H101 PolarHBondContact O-N 3.39Å
99D61Low79.9Confident50 Ų5058.5 Ų58.527%0.26732%0.319SS..THydrogen-bonded Turntrans-59.7-10.2-178.760.2-35.8000116.4P75 S77 R92P75-D99 HydrophobicContact CG-CB 3.89Å; P75-D99 VanDerWaalsContact CG-N 3.3Å; S77-D99 PolarHBondContact OG-OD2 3.46Å; R92-D99 IonicContact NH1-OD2 2.82Å; R92-D99 PolarHBondContact NH1-OD2 2.87Å
100F59.3Low79.8Confident86 Ų8657 Ų5738%0.37731%0.309SS..THydrogen-bonded Turntrans-79.9-17.8173.1-66.9-91.2000114R92 C94 T98 P102 L129R92-F100 HydrophobicContact CB-CE2 3.95Å; R92-F100 HydrophobicContact CB-CZ 4.06Å; C94-F100 VanDerWaalsContact CA-CD2 3.45Å; C94-F100 HydrophobicContact CB-CB 3.94Å; C94-F100 HydrophobicContact CB-CD1 4Å; C94-F100 HydrophobicContact CB-CD2 3.34Å; C94-F100 HydrophobicContact CB-CE1 4.33Å; C94-F100 HydrophobicContact CB-CE2 3.69Å; C94-F100 HydrophobicContact CB-CG 3.49Å; C94-F100 VanDerWaalsContact CB-CG 3.49Å; C94-F100 HydrophobicContact CB-CZ 4.17Å; C94-F100 WeakPolarHBondContact SG-CB 3.32Å; C94-F100 WeakPolarHBondContact SG-CG 3.39Å; T98-F100 PolarHBondContact O-N 2.91Å; F100-P102 VanDerWaalsContact C-CD 3.49Å; F100-L129 HydrophobicContact CD1-CD2 4.15Å; F100-L129 HydrophobicContact CE1-CD2 3.78Å; F100-L129 HydrophobicContact CZ-CD2 4.24Å
101H71.6Confident79.9Confident83 Ų8352 Ų5238%0.38428%0.283SS..  trans-127.166.6180-60.7-73000111.6T98 D103 T104 W105T98-H101 PolarHBondContact O-N 3.39Å; H101-D103 PolarHBondContact O-N 3.26Å; H101-T104 WeakPolarHBondContact CB-OG1 3.39Å; H101-T104 PolarHBondContact O-N 3.18Å; H101-T104 PolarHBondContact O-OG1 2.82Å; H101-W105 PolarHBondContact O-N 3.1Å
102P64.8Low80.1Confident82 Ų8250.2 Ų50.253%0.53227%0.272SS..G310 helixtrans-60.6-28.8-178.126-34.8000112.8F100 T104 W105F100-P102 VanDerWaalsContact C-CD 3.49Å; P102-T104 VanDerWaalsContact C-N 3.33Å; P102-T104 PolarHBondContact O-N 2.61Å; P102-W105 WeakPolarHBondContact O-CB 3.4Å; P102-W105 PolarHBondContact O-N 3.12Å
103D73Confident80.4Confident162 Ų16247.3 Ų47.387%0.86627%0.269SS*.G310 helixtrans-73.2-23.7-178.8-57.9-32.2000113.3H101H101-D103 PolarHBondContact O-N 3.26Å
104T79Confident80.8Confident78 Ų7847.4 Ų47.448%0.47927%0.269SS..G310 helixtrans-99.3-1.6177.262.90000112.7S96 H101 P102 W109S96-T104 PolarHBondContact O-OG1 3.06Å; H101-T104 WeakPolarHBondContact CB-OG1 3.39Å; H101-T104 PolarHBondContact O-N 3.18Å; H101-T104 PolarHBondContact O-OG1 2.82Å; P102-T104 VanDerWaalsContact C-N 3.33Å; P102-T104 PolarHBondContact O-N 2.61Å; T104-W109 VanDerWaalsContact O-CH2 3.26Å; T104-W109 WeakPolarHBondContact O-CH2 3.25Å
105W88.6Confident81.8Confident20 Ų2046.7 Ų46.78%0.07626%0.264CS..  trans-72.2130.7180174.1-110.4000111.3F71 P72 P75 I97 H101 P102 W109 I114F71-W105 HydrophobicContact CD2-CZ2 4.36Å; F71-W105 HydrophobicContact CE2-CH2 4.15Å; F71-W105 AromaticContact CE2-CZ2 3.86Å; F71-W105 HydrophobicContact CE2-CZ2 3.86Å; P72-W105 PolarHBondContact O-NE1 3.03Å; P75-W105 HydrophobicContact CB-CD2 3.6Å; P75-W105 HydrophobicContact CB-CE3 3.49Å; P75-W105 VanDerWaalsContact CB-CE3 3.49Å; P75-W105 HydrophobicContact CB-CG 4.14Å; P75-W105 HydrophobicContact CB-CH2 4.15Å; P75-W105 HydrophobicContact CB-CZ2 4.28Å; P75-W105 HydrophobicContact CB-CZ3 3.75Å; P75-W105 HydrophobicContact CG-CD2 4.24Å; P75-W105 HydrophobicContact CG-CE3 4.44Å; P75-W105 HydrophobicContact CG-CG 4.27Å; I97-W105 VanDerWaalsContact O-CZ3 3.32Å; I97-W105 WeakPolarHBondContact O-CZ3 3.42Å; H101-W105 PolarHBondContact O-N 3.1Å; P102-W105 WeakPolarHBondContact O-CB 3.4Å; P102-W105 PolarHBondContact O-N 3.12Å; W105-W109 HydrophobicContact CD2-CE3 4.37Å; W105-W109 AromaticContact CE3-CE3 3.55Å; W105-W109 HydrophobicContact CE3-CE3 3.55Å; W105-W109 AromaticContact CE3-CZ3 3.85Å; W105-W109 HydrophobicContact CE3-CZ3 3.85Å; W105-W109 HydrophobicContact CH2-CB 4.44Å; W105-W109 AromaticContact CZ3-CE3 3.68Å; W105-W109 HydrophobicContact CZ3-CE3 3.68Å; W105-W109 HydrophobicContact CZ3-CZ3 4.35Å; W105-I114 HydrophobicContact CH2-CD1 3.72Å; W105-I114 HydrophobicContact CH2-CG1 4.11Å; W105-I114 HydrophobicContact CZ3-CD1 4.29Å; W105-I114 HydrophobicContact CZ3-CG1 4.25Å
106N89.7Confident82.8Confident71 Ų7149.5 Ų49.538%0.3828%0.282SS..  trans-106.9112.8171.9-175-13.5000110.3A108 W109N106-A108 PolarHBondContact O-N 3.1Å; N106-A108 VanDerWaalsContact OD1-CB 3.24Å; N106-A108 WeakPolarHBondContact OD1-CB 3.15Å; N106-A108 PolarHBondContact OD1-N 3.31Å; N106-W109 HydrophobicContact CB-CD2 3.65Å; N106-W109 HydrophobicContact CB-CE3 4.04Å; N106-W109 HydrophobicContact CB-CG 4.02Å; N106-W109 HydrophobicContact CB-CH2 4.27Å; N106-W109 HydrophobicContact CB-CZ2 3.9Å; N106-W109 HydrophobicContact CB-CZ3 4.33Å; N106-W109 WeakPolarHBondContact O-CB 3.27Å; N106-W109 PolarHBondContact O-N 3.13Å
107P92.6Very high84.3Confident46 Ų4647.8 Ų47.830%0.29927%0.272SS..THydrogen-bonded Turntrans-57.6-17.1177-27.135.9000114.9R16 P72 F73 W109R16-P107 PolarHBondContact NH1-O 2.83Å; P72-P107 HydrophobicContact CB-CB 4.4Å; P72-P107 WeakPolarHBondContact CB-O 3.17Å; P72-P107 HydrophobicContact CG-CB 4.48Å; P72-P107 VanDerWaalsContact O-CA 3.3Å; P72-P107 WeakPolarHBondContact O-CA 3.3Å; P72-P107 VanDerWaalsContact O-CB 3.29Å; P72-P107 WeakPolarHBondContact O-CB 3.49Å; F73-P107 HydrophobicContact CD1-CB 4.4Å; F73-P107 HydrophobicContact CD1-CG 4.36Å; P107-W109 VanDerWaalsContact C-N 3.33Å
108A93.4Very high85.8Confident74 Ų7447 Ų4761%0.61227%0.268SS*.THydrogen-bonded Turntrans-76.6-17.1175.100000113.5N106 S110N106-A108 PolarHBondContact O-N 3.1Å; N106-A108 VanDerWaalsContact OD1-CB 3.24Å; N106-A108 WeakPolarHBondContact OD1-CB 3.15Å; N106-A108 PolarHBondContact OD1-N 3.31Å; A108-S110 PolarHBondContact O-N 3Å
109W95.2Very high87.5Confident73 Ų7348 Ų4828%0.27727%0.273SS..  trans-64.9127.8178.8-69.7-23.1000111.2R16 I97 T104 W105 N106 P107 T113R16-W109 PolarHBondContact NH2-O 3.34Å; I97-W109 HydrophobicContact CB-CZ3 4.25Å; I97-W109 HydrophobicContact CG2-CE3 4.24Å; I97-W109 HydrophobicContact CG2-CH2 4.22Å; I97-W109 HydrophobicContact CG2-CZ3 3.83Å; T104-W109 VanDerWaalsContact O-CH2 3.26Å; T104-W109 WeakPolarHBondContact O-CH2 3.25Å; W105-W109 HydrophobicContact CD2-CE3 4.37Å; W105-W109 AromaticContact CE3-CE3 3.55Å; W105-W109 HydrophobicContact CE3-CE3 3.55Å; W105-W109 AromaticContact CE3-CZ3 3.85Å; W105-W109 HydrophobicContact CE3-CZ3 3.85Å; W105-W109 HydrophobicContact CH2-CB 4.44Å; W105-W109 AromaticContact CZ3-CE3 3.68Å; W105-W109 HydrophobicContact CZ3-CE3 3.68Å; W105-W109 HydrophobicContact CZ3-CZ3 4.35Å; N106-W109 HydrophobicContact CB-CD2 3.65Å; N106-W109 HydrophobicContact CB-CE3 4.04Å; N106-W109 HydrophobicContact CB-CG 4.02Å; N106-W109 HydrophobicContact CB-CH2 4.27Å; N106-W109 HydrophobicContact CB-CZ2 3.9Å; N106-W109 HydrophobicContact CB-CZ3 4.33Å; N106-W109 WeakPolarHBondContact O-CB 3.27Å; N106-W109 PolarHBondContact O-N 3.13Å; P107-W109 VanDerWaalsContact C-N 3.33Å; W109-T113 HydrophobicContact CB-CG2 4.19Å; W109-T113 HydrophobicContact CG-CG2 3.97Å
110S97.4Very high89Confident9 Ų948.1 Ų48.16%0.06328%0.278CS..  trans-86165179.970.50000112D20 R23 A108 S112 T113 I114D20-S110 VanDerWaalsContact OD2-CA 3.28Å; D20-S110 WeakPolarHBondContact OD2-CA 3.29Å; R23-S110 VanDerWaalsContact NH1-CB 3.26Å; A108-S110 PolarHBondContact O-N 3Å; S110-S112 PolarHBondContact O-N 2.93Å; S110-S112 PolarHBondContact OG-N 2.81Å; S110-T113 PolarHBondContact N-OG1 2.97Å; S110-T113 WeakPolarHBondContact O-CA 3.38Å; S110-T113 WeakPolarHBondContact O-CB 3.37Å; S110-T113 PolarHBondContact O-N 3.02Å; S110-T113 PolarHBondContact OG-N 2.92Å; S110-T113 PolarHBondContact OG-OG1 2.92Å; S110-I114 WeakPolarHBondContact O-CG1 3.42Å; S110-I114 PolarHBondContact O-N 3.46Å
111V98.1Very high90.6Very high0 Ų046 Ų460%027%0.269CS..Hα-helixtrans-50.4-42.7169.5178.70000111.8L17 D20 W44 L65 F67 T113 I114 L115L17-V111 HydrophobicContact CD2-CG2 3.99Å; D20-V111 HydrophobicContact CB-CB 4.23Å; D20-V111 HydrophobicContact CB-CG2 3.8Å; D20-V111 PolarHBondContact OD2-N 3.38Å; W44-V111 HydrophobicContact CE3-CG1 3.87Å; W44-V111 HydrophobicContact CH2-CG1 4.49Å; W44-V111 HydrophobicContact CH2-CG2 4.18Å; W44-V111 HydrophobicContact CZ2-CG2 4.49Å; W44-V111 HydrophobicContact CZ3-CB 4.28Å; W44-V111 HydrophobicContact CZ3-CG1 3.79Å; W44-V111 HydrophobicContact CZ3-CG2 4.27Å; L65-V111 HydrophobicContact CD1-CG1 3.98Å; F67-V111 HydrophobicContact CE1-CG2 4.18Å; F67-V111 HydrophobicContact CZ-CG2 3.73Å; V111-T113 PolarHBondContact O-N 3.34Å; V111-I114 PolarHBondContact O-N 2.84Å; V111-L115 HydrophobicContact CG1-CD1 3.87Å; V111-L115 HydrophobicContact CG1-CG 4.34Å; V111-L115 WeakPolarHBondContact O-CG 3.49Å; V111-L115 PolarHBondContact O-N 2.86Å
112S97.9Very high91.7Very high11 Ų1142.2 Ų42.28%0.07725%0.251CS..Hα-helixtrans-56.7-47174.4-53.60000112.1I24 S110 I114 L115 T116I24-S112 WeakPolarHBondContact CB-OG 3.47Å; I24-S112 WeakPolarHBondContact CG1-OG 3.43Å; S110-S112 PolarHBondContact O-N 2.93Å; S110-S112 PolarHBondContact OG-N 2.81Å; S112-I114 PolarHBondContact O-N 2.66Å; S112-L115 PolarHBondContact O-N 2.9Å; S112-T116 WeakPolarHBondContact O-CB 3.39Å; S112-T116 PolarHBondContact O-N 3.43Å; S112-T116 PolarHBondContact O-OG1 3.48Å
113T96.8Very high93.1Very high64 Ų6441.3 Ų41.339%0.39324%0.244SC..Hα-helixtrans-62.7-42179.3-470000111.9W109 S110 V111 G117W109-T113 HydrophobicContact CB-CG2 4.19Å; W109-T113 HydrophobicContact CG-CG2 3.97Å; S110-T113 PolarHBondContact N-OG1 2.97Å; S110-T113 WeakPolarHBondContact O-CA 3.38Å; S110-T113 WeakPolarHBondContact O-CB 3.37Å; S110-T113 PolarHBondContact O-N 3.02Å; S110-T113 PolarHBondContact OG-N 2.92Å; S110-T113 PolarHBondContact OG-OG1 2.92Å; V111-T113 PolarHBondContact O-N 3.34Å; T113-G117 PolarHBondContact O-N 2.76Å
114I96.8Very high94Very high1 Ų138.4 Ų38.41%0.00523%0.225CC..Hα-helixtrans-62-48.3178.7-63.4163.7000110.2L65 F67 F71 P76 I78 I97 W105 S110 V111 S112 G117 L118L65-I114 HydrophobicContact CD2-CG2 4.28Å; F67-I114 HydrophobicContact CE1-CD1 4.49Å; F71-I114 HydrophobicContact CE2-CD1 4.45Å; P76-I114 HydrophobicContact CG-CD1 3.96Å; P76-I114 HydrophobicContact CG-CG2 4.39Å; I78-I114 HydrophobicContact CD1-CG2 3.84Å; I97-I114 HydrophobicContact CD1-CG2 4.15Å; I97-I114 WeakPolarHBondContact CD1-O 3.48Å; W105-I114 HydrophobicContact CH2-CD1 3.72Å; W105-I114 HydrophobicContact CH2-CG1 4.11Å; W105-I114 HydrophobicContact CZ3-CD1 4.29Å; W105-I114 HydrophobicContact CZ3-CG1 4.25Å; S110-I114 WeakPolarHBondContact O-CG1 3.42Å; S110-I114 PolarHBondContact O-N 3.46Å; V111-I114 PolarHBondContact O-N 2.84Å; S112-I114 PolarHBondContact O-N 2.66Å; I114-G117 PolarHBondContact O-N 2.84Å; I114-L118 PolarHBondContact O-N 2.98Å
115L98.1Very high94.2Very high0 Ų043.5 Ų43.50%024%0.241CC..Hα-helixtrans-69.5-37.9-177.7-67.6173.9000112.5I24 I32 A34 Y46 L65 V111 S112 G117 L118 L119I24-L115 HydrophobicContact CD1-CD1 4.32Å; I32-L115 HydrophobicContact CD1-CB 3.92Å; I32-L115 WeakPolarHBondContact CD1-O 3.47Å; I32-L115 HydrophobicContact CG2-CB 3.92Å; I32-L115 HydrophobicContact CG2-CD1 3.74Å; I32-L115 HydrophobicContact CG2-CG 4.37Å; A34-L115 HydrophobicContact CB-CD1 3.6Å; Y46-L115 HydrophobicContact CD1-CD2 3.5Å; Y46-L115 VanDerWaalsContact CD1-CD2 3.5Å; Y46-L115 HydrophobicContact CD2-CD2 4.16Å; Y46-L115 HydrophobicContact CE1-CD2 4.03Å; Y46-L115 HydrophobicContact CG-CD2 3.55Å; L65-L115 HydrophobicContact CD1-CD2 3.93Å; L65-L115 HydrophobicContact CD1-CG 4.2Å; L65-L115 HydrophobicContact CD2-CD2 4.3Å; L65-L115 HydrophobicContact CG-CD2 4.29Å; V111-L115 HydrophobicContact CG1-CD1 3.87Å; V111-L115 HydrophobicContact CG1-CG 4.34Å; V111-L115 WeakPolarHBondContact O-CG 3.49Å; V111-L115 PolarHBondContact O-N 2.86Å; S112-L115 PolarHBondContact O-N 2.9Å; L115-G117 VanDerWaalsContact C-N 3.32Å; L115-G117 PolarHBondContact O-N 3.31Å; L115-L118 HydrophobicContact CD2-CD2 4.34Å; L115-L118 WeakPolarHBondContact O-CB 3.47Å; L115-L118 PolarHBondContact O-N 2.67Å; L115-L119 PolarHBondContact O-N 3.49Å
116T96.7Very high94Very high60 Ų6044.1 Ų44.137%0.36825%0.254SS..Hα-helixtrans-59.7-44.7171.2-61.20000111S112 L118 L119 S120S112-T116 WeakPolarHBondContact O-CB 3.39Å; S112-T116 PolarHBondContact O-N 3.43Å; S112-T116 PolarHBondContact O-OG1 3.48Å; T116-L118 PolarHBondContact O-N 3.15Å; T116-L119 PolarHBondContact O-N 2.93Å; T116-S120 PolarHBondContact O-N 2.9Å; T116-S120 PolarHBondContact O-OG 2.81Å
117G94.8Very high93.6Very high17 Ų1746.1 Ų46.118%0.17527%0.27CS..Hα-helixtrans-62.1-41.417600000113.1T113 I114 L115 L119 S120 F121T113-G117 PolarHBondContact O-N 2.76Å; I114-G117 PolarHBondContact O-N 2.84Å; L115-G117 VanDerWaalsContact C-N 3.32Å; L115-G117 PolarHBondContact O-N 3.31Å; G117-L119 VanDerWaalsContact C-N 3.34Å; G117-L119 PolarHBondContact O-N 2.88Å; G117-S120 WeakPolarHBondContact O-CB 3.27Å; G117-S120 PolarHBondContact O-N 3.05Å; G117-F121 VanDerWaalsContact O-CD2 3.31Å; G117-F121 WeakPolarHBondContact O-CD2 3.33Å; G117-F121 PolarHBondContact O-N 2.77Å
118L95.8Very high92.9Very high0 Ų045.2 Ų45.20%026%0.264CS..Hα-helixtrans-57.3-46.4173.1168.467.1000111.8Y46 I78 F87 L93 L95 I114 L115 T116 S120 F121 M122Y46-L118 HydrophobicContact CD2-CD2 4.38Å; Y46-L118 HydrophobicContact CE1-CD2 4.05Å; Y46-L118 HydrophobicContact CE2-CD2 3.55Å; Y46-L118 VanDerWaalsContact OH-CD2 3.23Å; Y46-L118 WeakPolarHBondContact OH-CD2 3.39Å; I78-L118 HydrophobicContact CG2-CD1 4.16Å; I78-L118 HydrophobicContact CG2-CD2 3.99Å; F87-L118 HydrophobicContact CE2-CD1 3.95Å; F87-L118 HydrophobicContact CZ-CD1 4.24Å; L93-L118 HydrophobicContact CD1-CD1 4.26Å; L95-L118 HydrophobicContact CD1-CB 4.29Å; L95-L118 HydrophobicContact CD1-CD1 3.71Å; I114-L118 PolarHBondContact O-N 2.98Å; L115-L118 HydrophobicContact CD2-CD2 4.34Å; L115-L118 WeakPolarHBondContact O-CB 3.47Å; L115-L118 PolarHBondContact O-N 2.67Å; T116-L118 PolarHBondContact O-N 3.15Å; L118-S120 VanDerWaalsContact C-N 3.35Å; L118-F121 PolarHBondContact O-N 3.48Å; L118-M122 WeakPolarHBondContact O-CB 2.78Å; L118-M122 PolarHBondContact O-N 3.48Å
119L96.6Very high92.1Very high20 Ų2047 Ų4711%0.10526%0.262CS..Hα-helixtrans-62.1-42.6177.6171.959.2000111.4Y31 I32 V48 P51 L115 T116 G117 F121 M122 V123Y31-L119 HydrophobicContact CD2-CD2 4.02Å; Y31-L119 HydrophobicContact CG-CD2 4.35Å; I32-L119 HydrophobicContact CD1-CB 4.06Å; I32-L119 HydrophobicContact CD1-CD2 4.2Å; I32-L119 HydrophobicContact CG1-CD2 4.45Å; V48-L119 HydrophobicContact CG1-CD1 3.69Å; P51-L119 HydrophobicContact CG-CD1 3.83Å; P51-L119 HydrophobicContact CG-CD2 4.34Å; L115-L119 PolarHBondContact O-N 3.49Å; T116-L119 PolarHBondContact O-N 2.93Å; G117-L119 VanDerWaalsContact C-N 3.34Å; G117-L119 PolarHBondContact O-N 2.88Å; L119-F121 PolarHBondContact O-N 2.69Å; L119-M122 WeakPolarHBondContact O-CB 3.31Å; L119-M122 PolarHBondContact O-N 2.81Å; L119-M122 VanDerWaalsContact O-N 3.09Å; L119-V123 HydrophobicContact CD1-CG1 4.04Å; L119-V123 PolarHBondContact O-N 3.04Å; L119-V123 VanDerWaalsContact O-N 3.11Å
120S93.6Very high91.5Very high53 Ų5344.1 Ų44.137%0.37126%0.256SS..Hα-helixtrans-55.9-49.2173.9-620000111.6T116 G117 L118 M122 V123 E124T116-S120 PolarHBondContact O-N 2.9Å; T116-S120 PolarHBondContact O-OG 2.81Å; G117-S120 WeakPolarHBondContact O-CB 3.27Å; G117-S120 PolarHBondContact O-N 3.05Å; L118-S120 VanDerWaalsContact C-N 3.35Å; S120-M122 VanDerWaalsContact C-N 3.25Å; S120-M122 PolarHBondContact O-N 3.11Å; S120-V123 VanDerWaalsContact O-CG2 3.28Å; S120-V123 WeakPolarHBondContact O-CG2 3.28Å; S120-V123 PolarHBondContact O-N 3.15Å; S120-E124 VanDerWaalsContact O-CG 3.31Å; S120-E124 WeakPolarHBondContact O-CG 3.21Å; S120-E124 PolarHBondContact O-N 3.03Å; S120-E124 VanDerWaalsContact O-N 3.16Å
121F91.6Very high91.1Very high43 Ų4345.2 Ų45.219%0.18926%0.264CS..Hα-helixtrans-64-27.8176-85.1-68.8000114.2R86 F87 L95 S96 G117 L118 L119R86-F121 PolarHBondContact NE-O 2.76Å; R86-F121 PolarHBondContact NH2-O 3.34Å; F87-F121 HydrophobicContact CZ-CB 4.47Å; L95-F121 HydrophobicContact CB-CD2 3.97Å; L95-F121 HydrophobicContact CB-CE2 4Å; L95-F121 HydrophobicContact CD1-CB 4.19Å; L95-F121 HydrophobicContact CD1-CD2 3.94Å; L95-F121 HydrophobicContact CD1-CG 4.28Å; L95-F121 HydrophobicContact CD2-CB 4.12Å; L95-F121 HydrophobicContact CD2-CD1 4.42Å; L95-F121 HydrophobicContact CD2-CD2 4.28Å; L95-F121 HydrophobicContact CD2-CG 4.03Å; L95-F121 HydrophobicContact CG-CD2 4.29Å; S96-F121 WeakPolarHBondContact OG-CE2 3.13Å; S96-F121 WeakPolarHBondContact OG-CZ 3.47Å; G117-F121 VanDerWaalsContact O-CD2 3.31Å; G117-F121 WeakPolarHBondContact O-CD2 3.33Å; G117-F121 PolarHBondContact O-N 2.77Å; L118-F121 PolarHBondContact O-N 3.48Å; L119-F121 PolarHBondContact O-N 2.69Å
122M94.9Very high90.9Very high2 Ų248.5 Ų48.51%0.0128%0.28CS..Hα-helixtrans-70-41.4178-172.8169.5175.600111.6V48 Y56 Y61 M80 N84 R86 F87 L118 L119 S120V48-M122 HydrophobicContact CG1-SD 4.35Å; Y56-M122 HydrophobicContact CD1-CE 3.51Å; Y56-M122 HydrophobicContact CE1-CE 3.73Å; Y56-M122 HydrophobicContact CE1-CG 4.37Å; Y56-M122 HydrophobicContact CE2-CG 4.17Å; Y56-M122 WeakPolarHBondContact CE2-O 3.31Å; Y56-M122 HydrophobicContact CG-CE 3.93Å; Y56-M122 VanDerWaalsContact CZ-O 3.27Å; Y56-M122 PolarHBondContact OH-O 2.76Å; Y61-M122 HydrophobicContact CD1-CE 3.94Å; Y61-M122 HydrophobicContact CD2-CE 3.56Å; Y61-M122 HydrophobicContact CD2-SD 4.5Å; Y61-M122 HydrophobicContact CE1-CE 4.12Å; Y61-M122 HydrophobicContact CE2-CE 3.81Å; Y61-M122 HydrophobicContact CG-CE 3.64Å; M80-M122 HydrophobicContact CE-SD 4.08Å; N84-M122 HydrophobicContact CB-CE 4.26Å; R86-M122 HydrophobicContact CG-CG 4.36Å; F87-M122 HydrophobicContact CE2-CB 3.81Å; F87-M122 HydrophobicContact CE2-CG 3.93Å; F87-M122 HydrophobicContact CZ-CB 4.23Å; L118-M122 WeakPolarHBondContact O-CB 2.78Å; L118-M122 PolarHBondContact O-N 3.48Å; L119-M122 WeakPolarHBondContact O-CB 3.31Å; L119-M122 PolarHBondContact O-N 2.81Å; L119-M122 VanDerWaalsContact O-N 3.09Å; S120-M122 VanDerWaalsContact C-N 3.25Å; S120-M122 PolarHBondContact O-N 3.11Å
123V94.8Very high90.7Very high63 Ų6356.6 Ų56.638%0.38232%0.317SS..Hα-helixtrans-82.2-17.3-178.9-59.20000113.5P51 T54 Y56 L119 S120P51-V123 HydrophobicContact CG-CG1 4.37Å; T54-V123 HydrophobicContact CG2-CG1 4.07Å; Y56-V123 HydrophobicContact CD2-CG1 4.31Å; Y56-V123 HydrophobicContact CE2-CG1 4.44Å; L119-V123 HydrophobicContact CD1-CG1 4.04Å; L119-V123 PolarHBondContact O-N 3.04Å; L119-V123 VanDerWaalsContact O-N 3.11Å; S120-V123 VanDerWaalsContact O-CG2 3.28Å; S120-V123 WeakPolarHBondContact O-CG2 3.28Å; S120-V123 PolarHBondContact O-N 3.15Å
124E91.3Very high90.6Very high101 Ų10155.8 Ų55.847%0.47231%0.312SS..SBendtrans-76.2163.8171.9-74.1173.5-164.600113.3S120S120-E124 VanDerWaalsContact O-CG 3.31Å; S120-E124 WeakPolarHBondContact O-CG 3.21Å; S120-E124 PolarHBondContact O-N 3.03Å; S120-E124 VanDerWaalsContact O-N 3.16Å
125K84.4Confident90.7Very high186 Ų18658.5 Ų58.581%0.80933%0.331SS*.  trans-103.7-4.9179.9-63.1-175.4177.8-176.10114.1
126G83.1Confident90.6Very high33 Ų3361.7 Ų61.734%0.3435%0.348SS..  trans-61.6139-176.100000112.4R86R86-G126 PolarHBondContact NH1-O 2.85Å; R86-G126 VanDerWaalsContact NH1-O 3.11Å; R86-G126 PolarHBondContact NH2-O 3.02Å
127P81.2Confident90.7Very high112 Ų11266.3 Ų66.373%0.72736%0.36SS*.  trans-66.2142.6174.229-34.1000109.9
128T79.4Confident90.9Very high28 Ų2867.8 Ų67.817%0.17237%0.366CS..  trans-150.3148.6178.6-550000109.1C94 L95 G130 S131C94-T128 WeakPolarHBondContact O-CG2 3.34Å; L95-T128 HydrophobicContact CD2-CG2 3.63Å; T128-G130 PolarHBondContact O-N 3.08Å; T128-S131 PolarHBondContact N-OG 2.54Å; T128-S131 VanDerWaalsContact N-OG 3.12Å; T128-S131 WeakPolarHBondContact O-CB 3.27Å; T128-S131 PolarHBondContact O-N 3.21Å; T128-S131 PolarHBondContact O-OG 2.88Å
129L75.4Confident91Very high110 Ų11068.7 Ų68.758%0.57637%0.37SS*.BIsolated β-bridgetrans-65.3129.4-179169.376.3000110.2C94 F100C94-L129 HydrophobicContact CB-CB 3.64Å; C94-L129 HydrophobicContact CB-CD2 3.76Å; C94-L129 HydrophobicContact CB-CG 3.95Å; C94-L129 PolarHBondContact N-O 3.29Å; F100-L129 HydrophobicContact CD1-CD2 4.15Å; F100-L129 HydrophobicContact CE1-CD2 3.78Å; F100-L129 HydrophobicContact CZ-CD2 4.24Å
130G82.1Confident91.1Very high14 Ų1474 Ų7414%0.14439%0.388CS..THydrogen-bonded Turntrans90.6-5.6-169.600000114F87 K88 T128F87-G130 WeakPolarHBondContact CA-O 3.39Å; K88-G130 WeakPolarHBondContact CB-O 3.49Å; K88-G130 PolarHBondContact N-O 2.8Å; T128-G130 PolarHBondContact O-N 3.08Å
131S90.3Very high91.3Very high32 Ų3275.4 Ų75.422%0.22439%0.389CS..BIsolated β-bridgetrans-75.7157.6169.869.20000113R86 T128R86-S131 CarbonylContact O-C 3.5Å; R86-S131 WeakPolarHBondContact O-CA 3.5Å; R86-S131 WeakPolarHBondContact O-CB 3.33Å; T128-S131 PolarHBondContact N-OG 2.54Å; T128-S131 VanDerWaalsContact N-OG 3.12Å; T128-S131 WeakPolarHBondContact O-CB 3.27Å; T128-S131 PolarHBondContact O-N 3.21Å; T128-S131 PolarHBondContact O-OG 2.88Å
132I93.6Very high91.7Very high68 Ų6874.8 Ų74.835%0.34939%0.387SS..  trans-129.8155.7170.758.4173.6000108.9R86 K88 T134R86-I132 PolarHBondContact O-N 2.97Å; K88-I132 HydrophobicContact CB-CG2 3.99Å; I132-T134 HydrophobicContact CD1-CG2 4.14Å; I132-T134 HydrophobicContact CG1-CG2 4.44Å
133E92.9Very high91.8Very high182 Ų18274.9 Ų74.985%0.8539%0.388SS*.  trans-104.6125174.8-66.5-173.5173.900110.1
134T96.3Very high91.9Very high46 Ų4675.1 Ų75.128%0.28240%0.397SS..  trans-140.9161.2174.867.10000109.5G85 I132 T138 K139G85-T134 WeakPolarHBondContact CA-OG1 3.18Å; G85-T134 PolarHBondContact O-OG1 2.95Å; I132-T134 HydrophobicContact CD1-CG2 4.14Å; I132-T134 HydrophobicContact CG1-CG2 4.44Å; T134-T138 HydrophobicContact CG2-CG2 4.4Å; T134-K139 PolarHBondContact O-NZ 2.81Å
135S97.2Very high92.3Very high59 Ų5975.8 Ų75.841%0.41340%0.4SS..  trans-68.6156174.776.40000111.7Y137 T138 K139S135-Y137 PolarHBondContact O-N 2.91Å; S135-Y137 PolarHBondContact OG-N 2.76Å; S135-T138 WeakPolarHBondContact O-CB 3.47Å; S135-T138 PolarHBondContact O-N 2.94Å; S135-T138 VanDerWaalsContact O-N 3.14Å; S135-T138 PolarHBondContact OG-N 2.95Å; S135-T138 PolarHBondContact OG-OG1 3.02Å; S135-K139 PolarHBondContact O-N 3.35Å; S135-K139 VanDerWaalsContact O-N 3.08Å
136D97.5Very high93Very high67 Ų6767 Ų6736%0.35836%0.362SS..Hα-helixtrans-64.8-28.4173.1-72-5000111.9P55 K139 R140P55-D136 HydrophobicContact CB-CB 4.18Å; P55-D136 HydrophobicContact CG-CB 4.09Å; D136-K139 PolarHBondContact O-N 3.07Å; D136-K139 IonicContact OD1-NZ 3.06Å; D136-K139 PolarHBondContact OD1-NZ 2.66Å; D136-R140 VanDerWaalsContact O-CG 3.3Å; D136-R140 WeakPolarHBondContact O-CG 3.38Å; D136-R140 PolarHBondContact O-N 2.93Å
137Y98.1Very high93.7Very high157 Ų15766.1 Ų66.162%0.61635%0.35SS*.Hα-helixtrans-59.3-47.9170.3176.6-98.1000111.3S135 K139 R140 Q141S135-Y137 PolarHBondContact O-N 2.91Å; S135-Y137 PolarHBondContact OG-N 2.76Å; Y137-K139 PolarHBondContact O-N 3.03Å; Y137-R140 PolarHBondContact O-N 3.24Å; Y137-Q141 VanDerWaalsContact CE1-CD 3.4Å; Y137-Q141 HydrophobicContact CE1-CG 4.21Å; Y137-Q141 VanDerWaalsContact CZ-NE2 3.29Å; Y137-Q141 PolarHBondContact O-N 3.46Å; Y137-Q141 PolarHBondContact OH-NE2 3.28Å
138T98.3Very high94.5Very high47 Ų4762.9 Ų62.929%0.28833%0.332SS..Hα-helixtrans-60-44.4175.9-53.40000111.3T134 S135 R140 Q141 L142T134-T138 HydrophobicContact CG2-CG2 4.4Å; S135-T138 WeakPolarHBondContact O-CB 3.47Å; S135-T138 PolarHBondContact O-N 2.94Å; S135-T138 VanDerWaalsContact O-N 3.14Å; S135-T138 PolarHBondContact OG-N 2.95Å; S135-T138 PolarHBondContact OG-OG1 3.02Å; T138-R140 VanDerWaalsContact C-N 3.33Å; T138-R140 PolarHBondContact O-N 3.01Å; T138-Q141 PolarHBondContact O-N 2.87Å; T138-L142 HydrophobicContact CG2-CD1 4.12Å; T138-L142 HydrophobicContact CG2-CG 4.47Å; T138-L142 WeakPolarHBondContact O-CG 3.29Å; T138-L142 PolarHBondContact O-N 3.09Å
139K98.5Very high95.4Very high20 Ų2064.8 Ų64.89%0.08734%0.338CS..Hα-helixtrans-60.9-40.8177.7-64-176.9-165.7780112.3P55 Y56 T134 S135 D136 Y137 L142 S143P55-K139 HydrophobicContact CB-CB 3.76Å; P55-K139 HydrophobicContact CB-CD 3.86Å; P55-K139 HydrophobicContact CB-CG 4.45Å; P55-K139 HydrophobicContact CG-CD 4.39Å; P55-K139 CarbonylContact O-C 3.59Å; Y56-K139 HydrophobicContact CE1-CD 3.72Å; Y56-K139 HydrophobicContact CE1-CG 4.34Å; T134-K139 PolarHBondContact O-NZ 2.81Å; S135-K139 PolarHBondContact O-N 3.35Å; S135-K139 VanDerWaalsContact O-N 3.08Å; D136-K139 PolarHBondContact O-N 3.07Å; D136-K139 IonicContact OD1-NZ 3.06Å; D136-K139 PolarHBondContact OD1-NZ 2.66Å; Y137-K139 PolarHBondContact O-N 3.03Å; K139-L142 PolarHBondContact O-N 3.05Å; K139-S143 WeakPolarHBondContact O-CB 3.4Å; K139-S143 PolarHBondContact O-N 3.3Å
140R98.5Very high96.5Very high132 Ų13259.6 Ų59.650%0.49831%0.311SS..Hα-helixtrans-65.4-38176.5-70.4174.9-169.5-71.6-0.6112.5D136 Y137 T138 S143 A144D136-R140 VanDerWaalsContact O-CG 3.3Å; D136-R140 WeakPolarHBondContact O-CG 3.38Å; D136-R140 PolarHBondContact O-N 2.93Å; Y137-R140 PolarHBondContact O-N 3.24Å; T138-R140 VanDerWaalsContact C-N 3.33Å; T138-R140 PolarHBondContact O-N 3.01Å; R140-S143 WeakPolarHBondContact O-CB 3.42Å; R140-S143 PolarHBondContact O-N 3.01Å; R140-A144 PolarHBondContact O-N 3.26Å
141Q98.4Very high97.3Very high81 Ų8161 Ų6138%0.37932%0.315SS..Hα-helixtrans-63.6-45.7172.4-70-177.5-38.300111.5Y137 T138 S143 A144 Q145Y137-Q141 VanDerWaalsContact CE1-CD 3.4Å; Y137-Q141 HydrophobicContact CE1-CG 4.21Å; Y137-Q141 VanDerWaalsContact CZ-NE2 3.29Å; Y137-Q141 PolarHBondContact O-N 3.46Å; Y137-Q141 PolarHBondContact OH-NE2 3.28Å; T138-Q141 PolarHBondContact O-N 2.87Å; Q141-S143 VanDerWaalsContact C-N 3.31Å; Q141-S143 PolarHBondContact O-N 3.45Å; Q141-A144 PolarHBondContact O-N 2.94Å; Q141-Q145 VanDerWaalsContact O-CG 3.28Å; Q141-Q145 WeakPolarHBondContact O-CG 3.29Å; Q141-Q145 PolarHBondContact O-N 3.16Å
142L98.6Very high97.7Very high30 Ų3067.8 Ų67.816%0.15734%0.34CS..Hα-helixtrans-64.1-36177.2-68.1173.9000112.1P83 G85 T138 K139 A144 Q145 S146P83-L142 HydrophobicContact CB-CD2 3.91Å; G85-L142 VanDerWaalsContact N-CD1 3.34Å; T138-L142 HydrophobicContact CG2-CD1 4.12Å; T138-L142 HydrophobicContact CG2-CG 4.47Å; T138-L142 WeakPolarHBondContact O-CG 3.29Å; T138-L142 PolarHBondContact O-N 3.09Å; K139-L142 PolarHBondContact O-N 3.05Å; L142-A144 PolarHBondContact O-N 3.23Å; L142-Q145 PolarHBondContact O-N 3.16Å; L142-S146 WeakPolarHBondContact O-CB 3.47Å; L142-S146 PolarHBondContact O-N 2.81Å
143S98.3Very high97.9Very high5 Ų568 Ų684%0.03534%0.34CS..Hα-helixtrans-55.4-50.9172.3176.90000111.2Y56 E57 G59 Y61 K139 R140 Q141 Q145 S146Y56-S143 PolarHBondContact O-OG 3.35Å; Y56-S143 VanDerWaalsContact O-OG 3.13Å; E57-S143 PolarHBondContact O-OG 3.11Å; G59-S143 WeakPolarHBondContact CA-OG 3.32Å; G59-S143 PolarHBondContact N-OG 3.29Å; Y61-S143 WeakPolarHBondContact OH-CB 3.41Å; K139-S143 WeakPolarHBondContact O-CB 3.4Å; K139-S143 PolarHBondContact O-N 3.3Å; R140-S143 WeakPolarHBondContact O-CB 3.42Å; R140-S143 PolarHBondContact O-N 3.01Å; Q141-S143 VanDerWaalsContact C-N 3.31Å; Q141-S143 PolarHBondContact O-N 3.45Å; S143-Q145 PolarHBondContact O-N 3.38Å; S143-S146 WeakPolarHBondContact O-CB 3.32Å; S143-S146 PolarHBondContact O-N 2.76Å; S143-S146 PolarHBondContact O-OG 3.39Å
144A97.4Very high98.1Very high68 Ų6866.4 Ų66.456%0.56233%0.33SS*.Hα-helixtrans-64.5-41176.800000112.6R140 Q141 L142 S146R140-A144 PolarHBondContact O-N 3.26Å; Q141-A144 PolarHBondContact O-N 2.94Å; L142-A144 PolarHBondContact O-N 3.23Å; A144-S146 VanDerWaalsContact C-N 3.27Å; A144-S146 PolarHBondContact O-N 3.03Å
145Q98.3Very high98.2Very high114 Ų11466.7 Ų66.753%0.53333%0.332SS..Hα-helixtrans-68.5-25.6179.4-69.6171.111.300113.1Q141 L142 S143 L147 A148 F149Q141-Q145 VanDerWaalsContact O-CG 3.28Å; Q141-Q145 WeakPolarHBondContact O-CG 3.29Å; Q141-Q145 PolarHBondContact O-N 3.16Å; L142-Q145 PolarHBondContact O-N 3.16Å; S143-Q145 PolarHBondContact O-N 3.38Å; Q145-L147 PolarHBondContact O-N 3.43Å; Q145-A148 PolarHBondContact O-N 3.04Å; Q145-F149 WeakPolarHBondContact O-CB 3.5Å; Q145-F149 PolarHBondContact O-N 2.96Å
146S98.8Very high98.3Very high2 Ų263.9 Ų63.91%0.01431%0.312CS..Hα-helixtrans-57.1-33.4-178.574.60000113G59 Y60 L142 S143 A144 F149 N150G59-S146 WeakPolarHBondContact CA-OG 3.41Å; Y60-S146 PolarHBondContact N-OG 3.01Å; Y60-S146 WeakPolarHBondContact O-CB 3.26Å; L142-S146 WeakPolarHBondContact O-CB 3.47Å; L142-S146 PolarHBondContact O-N 2.81Å; S143-S146 WeakPolarHBondContact O-CB 3.32Å; S143-S146 PolarHBondContact O-N 2.76Å; S143-S146 PolarHBondContact O-OG 3.39Å; A144-S146 VanDerWaalsContact C-N 3.27Å; A144-S146 PolarHBondContact O-N 3.03Å; S146-F149 PolarHBondContact O-N 3.46Å; S146-N150 WeakPolarHBondContact O-CB 3.32Å; S146-N150 PolarHBondContact O-N 2.92Å; S146-N150 PolarHBondContact O-ND2 3.16Å
147L98.3Very high98.3Very high15 Ų1562.7 Ų62.78%0.07931%0.308CS..Hα-helixtrans-58.6-58.8178.8-56.7-174.5000111.1Y60 Q145 F149 N150 L151 I167 Q171Y60-L147 HydrophobicContact CD2-CD2 3.43Å; Y60-L147 VanDerWaalsContact CD2-CD2 3.43Å; Y60-L147 HydrophobicContact CE2-CD2 3.84Å; Y60-L147 HydrophobicContact CG-CD2 4.45Å; Q145-L147 PolarHBondContact O-N 3.43Å; L147-F149 VanDerWaalsContact C-N 3.29Å; L147-F149 PolarHBondContact O-N 3.28Å; L147-N150 PolarHBondContact O-N 3.48Å; L147-L151 WeakPolarHBondContact O-CG 3.22Å; L147-L151 PolarHBondContact O-N 3.01Å; L147-I167 HydrophobicContact CB-CG2 3.75Å; L147-I167 HydrophobicContact CD2-CB 4.47Å; L147-I167 HydrophobicContact CD2-CD1 4.38Å; L147-I167 HydrophobicContact CD2-CG1 3.88Å; L147-I167 HydrophobicContact CD2-CG2 3.98Å; L147-I167 HydrophobicContact CG-CG2 4.32Å; L147-Q171 HydrophobicContact CD1-CG 4.48Å
148A98Very high98.3Very high43 Ų4361 Ų6136%0.35531%0.306SS..Hα-helixtrans-68.7-29.6-179.300000112.4Q145 K152Q145-A148 PolarHBondContact O-N 3.04Å; A148-K152 WeakPolarHBondContact O-CD 3.46Å; A148-K152 WeakPolarHBondContact O-CG 3.37Å
149F98.6Very high98.3Very high69 Ų6960 Ų6030%0.30330%0.299SS..Hα-helixtrans-63.7-53.7174-179.6-87.6000110.8I81 T82 P83 Q145 S146 L147 L151 K152 E153I81-F149 HydrophobicContact CG2-CE1 4.34Å; T82-F149 HydrophobicContact CG2-CD1 3.87Å; T82-F149 HydrophobicContact CG2-CE1 4.4Å; P83-F149 HydrophobicContact CG-CD2 4.35Å; P83-F149 HydrophobicContact CG-CE2 4.18Å; Q145-F149 WeakPolarHBondContact O-CB 3.5Å; Q145-F149 PolarHBondContact O-N 2.96Å; S146-F149 PolarHBondContact O-N 3.46Å; L147-F149 VanDerWaalsContact C-N 3.29Å; L147-F149 PolarHBondContact O-N 3.28Å; F149-L151 VanDerWaalsContact C-N 3.35Å; F149-L151 PolarHBondContact O-N 3.04Å; F149-K152 WeakPolarHBondContact O-CB 3.46Å; F149-K152 PolarHBondContact O-N 2.88Å; F149-K152 VanDerWaalsContact O-N 3.13Å; F149-E153 HydrophobicContact CD1-CG 4.47Å; F149-E153 HydrophobicContact CE1-CG 4.03Å; F149-E153 HydrophobicContact CZ-CG 4.49Å
150N98.6Very high98.3Very high0 Ų059.4 Ų59.40%030%0.296CS..Hα-helixtrans-66.7-34.8-174.8-65.9-22000112.6Y60 T82 S146 L147 K152 E153 F156Y60-N150 WeakPolarHBondContact CB-ND2 3.32Å; Y60-N150 PolarHBondContact O-ND2 3.3Å; T82-N150 PolarHBondContact OG1-OD1 3.27Å; S146-N150 WeakPolarHBondContact O-CB 3.32Å; S146-N150 PolarHBondContact O-N 2.92Å; S146-N150 PolarHBondContact O-ND2 3.16Å; L147-N150 PolarHBondContact O-N 3.48Å; N150-K152 PolarHBondContact O-N 3.25Å; N150-E153 PolarHBondContact O-N 3Å; N150-F156 HydrophobicContact CB-CD1 3.73Å; N150-F156 HydrophobicContact CB-CD2 3.99Å; N150-F156 HydrophobicContact CB-CE1 3.69Å; N150-F156 HydrophobicContact CB-CE2 3.91Å; N150-F156 HydrophobicContact CB-CG 3.88Å; N150-F156 HydrophobicContact CB-CZ 3.78Å; N150-F156 VanDerWaalsContact O-CD1 3.29Å; N150-F156 WeakPolarHBondContact O-CD1 3.18Å
151L98.4Very high98.3Very high45 Ų4556.3 Ų56.324%0.23629%0.294CS..THydrogen-bonded Turntrans-64.4-18.4176.4-70.5-178000113.9L147 F149 C157 V164 I167 K168L147-L151 WeakPolarHBondContact O-CG 3.22Å; L147-L151 PolarHBondContact O-N 3.01Å; F149-L151 VanDerWaalsContact C-N 3.35Å; F149-L151 PolarHBondContact O-N 3.04Å; L151-C157 PolarHBondContact O-SG 3.48Å; L151-C157 VanDerWaalsContact O-SG 3.38Å; L151-V164 HydrophobicContact CD2-CB 4.26Å; L151-V164 HydrophobicContact CD2-CG1 3.77Å; L151-V164 HydrophobicContact CD2-CG2 4.21Å; L151-I167 HydrophobicContact CD1-CG2 3.79Å; L151-I167 HydrophobicContact CD2-CB 4.47Å; L151-I167 HydrophobicContact CD2-CG2 4.22Å; L151-I167 HydrophobicContact CG-CG2 3.94Å; L151-K168 HydrophobicContact CD1-CG 4.45Å
152K98.3Very high98.3Very high174 Ų17458.9 Ų58.976%0.75731%0.31SS*.THydrogen-bonded Turntrans-87-17.9174.4-65.8171-175.4179.60112.4A148 F149 N150 K154A148-K152 WeakPolarHBondContact O-CD 3.46Å; A148-K152 WeakPolarHBondContact O-CG 3.37Å; F149-K152 WeakPolarHBondContact O-CB 3.46Å; F149-K152 PolarHBondContact O-N 2.88Å; F149-K152 VanDerWaalsContact O-N 3.13Å; N150-K152 PolarHBondContact O-N 3.25Å; K152-K154 PolarHBondContact O-N 3.18Å
153E98.1Very high98.3Very high73 Ų7357.9 Ų57.934%0.34131%0.306SS..  trans-84.4109.3-178-72.5-59.8139.300110.5F149 N150 V155 F156 C157F149-E153 HydrophobicContact CD1-CG 4.47Å; F149-E153 HydrophobicContact CE1-CG 4.03Å; F149-E153 HydrophobicContact CZ-CG 4.49Å; N150-E153 PolarHBondContact O-N 3Å; E153-V155 VanDerWaalsContact C-N 3.31Å; E153-V155 PolarHBondContact O-N 3.2Å; E153-F156 HydrophobicContact CB-CB 3.87Å; E153-F156 WeakPolarHBondContact O-CB 3.41Å; E153-F156 PolarHBondContact O-N 3.33Å; E153-F156 VanDerWaalsContact O-N 3.08Å; E153-C157 PolarHBondContact O-N 3.44Å
154K97.9Very high98.3Very high147 Ų14758.2 Ų58.264%0.63931%0.308SS*.Hα-helixtrans-55.1-45.4-177.4-177.8178.3171.5-176.50112.4K152 F156 C157 E158K152-K154 PolarHBondContact O-N 3.18Å; K154-F156 VanDerWaalsContact C-N 3.31Å; K154-F156 PolarHBondContact O-N 3.17Å; K154-C157 PolarHBondContact O-N 3.3Å; K154-E158 WeakPolarHBondContact CE-OE1 3.42Å; K154-E158 HydrophobicContact CG-CG 4.35Å; K154-E158 IonicContact NZ-OE1 3.66Å; K154-E158 WeakPolarHBondContact O-CG 3.09Å; K154-E158 PolarHBondContact O-N 3.4Å
155V98.1Very high98.3Very high52 Ų5258.8 Ų58.832%0.31530%0.301SS..Hα-helixtrans-63.2-38.3-180177.90000111.4L37 E153 L159L37-V155 HydrophobicContact CD2-CG1 4.29Å; E153-V155 VanDerWaalsContact C-N 3.31Å; E153-V155 PolarHBondContact O-N 3.2Å; V155-L159 HydrophobicContact CG1-CD1 3.67Å; V155-L159 HydrophobicContact CG1-CG 4.27Å; V155-L159 WeakPolarHBondContact O-CB 3.22Å; V155-L159 VanDerWaalsContact O-CG 3.3Å; V155-L159 WeakPolarHBondContact O-CG 3.5Å; V155-L159 PolarHBondContact O-N 3.03Å; V155-L159 VanDerWaalsContact O-N 3.1Å
156F98.6Very high98.3Very high0 Ų055.6 Ų55.60%029%0.286CS..Hα-helixtrans-63.3-48.3174.9175.5-88.1000110.6V47 H62 N150 E153 K154 E158 L159 F160 A163 V164 I167V47-F156 HydrophobicContact CB-CE2 4.44Å; V47-F156 HydrophobicContact CG1-CE2 4.05Å; V47-F156 HydrophobicContact CG2-CD2 3.92Å; V47-F156 HydrophobicContact CG2-CE2 3.47Å; V47-F156 VanDerWaalsContact CG2-CE2 3.47Å; V47-F156 HydrophobicContact CG2-CZ 4.48Å; H62-F156 HydrophobicContact CB-CD2 3.83Å; H62-F156 HydrophobicContact CB-CE2 4.36Å; H62-F156 AromaticContact CG-CD2 3.88Å; N150-F156 HydrophobicContact CB-CD1 3.73Å; N150-F156 HydrophobicContact CB-CD2 3.99Å; N150-F156 HydrophobicContact CB-CE1 3.69Å; N150-F156 HydrophobicContact CB-CE2 3.91Å; N150-F156 HydrophobicContact CB-CG 3.88Å; N150-F156 HydrophobicContact CB-CZ 3.78Å; N150-F156 VanDerWaalsContact O-CD1 3.29Å; N150-F156 WeakPolarHBondContact O-CD1 3.18Å; E153-F156 HydrophobicContact CB-CB 3.87Å; E153-F156 WeakPolarHBondContact O-CB 3.41Å; E153-F156 PolarHBondContact O-N 3.33Å; E153-F156 VanDerWaalsContact O-N 3.08Å; K154-F156 VanDerWaalsContact C-N 3.31Å; K154-F156 PolarHBondContact O-N 3.17Å; F156-E158 VanDerWaalsContact C-N 3.32Å; F156-E158 PolarHBondContact O-N 3.44Å; F156-L159 PolarHBondContact O-N 3.19Å; F156-F160 AromaticContact CD2-CD2 3.97Å; F156-F160 HydrophobicContact CD2-CD2 3.97Å; F156-F160 HydrophobicContact CE2-CD2 4.38Å; F156-F160 HydrophobicContact CG-CD2 4.44Å; F156-F160 WeakPolarHBondContact O-CD2 3.44Å; F156-F160 PolarHBondContact O-N 3.02Å; F156-A163 HydrophobicContact CZ-CB 3.98Å; F156-V164 HydrophobicContact CD1-CG2 4.04Å; F156-V164 HydrophobicContact CE1-CG2 3.78Å; F156-I167 HydrophobicContact CE1-CD1 3.93Å; F156-I167 HydrophobicContact CZ-CD1 3.74Å
157C98.5Very high98.2Very high42 Ų4255.5 Ų55.528%0.28429%0.286SS..Hα-helixtrans-64.3-35.1-177.8-68.20000113.4L151 E153 K154 V164L151-C157 PolarHBondContact O-SG 3.48Å; L151-C157 VanDerWaalsContact O-SG 3.38Å; E153-C157 PolarHBondContact O-N 3.44Å; K154-C157 PolarHBondContact O-N 3.3Å; C157-V164 HydrophobicContact CB-CG2 4.15Å
158E98.3Very high98.2Very high123 Ų12360.1 Ų60.158%0.57531%0.305SS*.Hα-helixtrans-75.4-40.2178.8-73.1178.3166.500112.7K154 F156K154-E158 WeakPolarHBondContact CE-OE1 3.42Å; K154-E158 HydrophobicContact CG-CG 4.35Å; K154-E158 IonicContact NZ-OE1 3.66Å; K154-E158 WeakPolarHBondContact O-CG 3.09Å; K154-E158 PolarHBondContact O-N 3.4Å; F156-E158 VanDerWaalsContact C-N 3.32Å; F156-E158 PolarHBondContact O-N 3.44Å
159L98.5Very high98.1Very high24 Ų2464.5 Ų64.513%0.12632%0.318CS..Hα-helixtrans-84.6-28.2-175.8-63.9179.2000113.4E35 L37 H45 V155 F156 P161E35-L159 HydrophobicContact CB-CB 4.33Å; E35-L159 HydrophobicContact CB-CD2 4.46Å; E35-L159 HydrophobicContact CG-CB 4.43Å; E35-L159 WeakPolarHBondContact CG-O 3.25Å; L37-L159 HydrophobicContact CD2-CD1 3.93Å; H45-L159 HydrophobicContact CB-CD1 3.68Å; V155-L159 HydrophobicContact CG1-CD1 3.67Å; V155-L159 HydrophobicContact CG1-CG 4.27Å; V155-L159 WeakPolarHBondContact O-CB 3.22Å; V155-L159 VanDerWaalsContact O-CG 3.3Å; V155-L159 WeakPolarHBondContact O-CG 3.5Å; V155-L159 PolarHBondContact O-N 3.03Å; V155-L159 VanDerWaalsContact O-N 3.1Å; F156-L159 PolarHBondContact O-N 3.19Å; L159-P161 VanDerWaalsContact C-CD 3.41Å; L159-P161 WeakPolarHBondContact O-CD 3.44Å
160F98.6Very high97.8Very high8 Ų864.7 Ų64.74%0.03532%0.319CS..  trans-126.560.5-172.3-50.6-75.5000112.7C33 E35 H45 V47 H62 F156 D162 A163 V164C33-F160 HydrophobicContact CB-CD1 4.22Å; C33-F160 HydrophobicContact CB-CE1 4.34Å; E35-F160 HydrophobicContact CB-CE1 4.13Å; E35-F160 HydrophobicContact CB-CZ 4.3Å; E35-F160 HydrophobicContact CG-CD1 4.08Å; E35-F160 HydrophobicContact CG-CE1 3.63Å; E35-F160 HydrophobicContact CG-CZ 4.26Å; H45-F160 HydrophobicContact CB-CE2 3.82Å; H45-F160 HydrophobicContact CB-CZ 3.74Å; V47-F160 HydrophobicContact CG2-CB 4.29Å; V47-F160 HydrophobicContact CG2-CD1 3.83Å; V47-F160 HydrophobicContact CG2-CD2 3.47Å; V47-F160 VanDerWaalsContact CG2-CD2 3.47Å; V47-F160 HydrophobicContact CG2-CE1 3.97Å; V47-F160 HydrophobicContact CG2-CE2 3.64Å; V47-F160 HydrophobicContact CG2-CG 3.58Å; V47-F160 HydrophobicContact CG2-CZ 3.9Å; H62-F160 AromaticContact CD2-CE2 3.81Å; H62-F160 AromaticContact NE2-CE2 3.84Å; F156-F160 AromaticContact CD2-CD2 3.97Å; F156-F160 HydrophobicContact CD2-CD2 3.97Å; F156-F160 HydrophobicContact CE2-CD2 4.38Å; F156-F160 HydrophobicContact CG-CD2 4.44Å; F156-F160 WeakPolarHBondContact O-CD2 3.44Å; F156-F160 PolarHBondContact O-N 3.02Å; F160-D162 VanDerWaalsContact C-N 3.3Å; F160-D162 PolarHBondContact O-N 3.18Å; F160-A163 HydrophobicContact CB-CB 3.92Å; F160-A163 PolarHBondContact O-N 3.11Å; F160-A163 VanDerWaalsContact O-N 3.1Å; F160-V164 PolarHBondContact O-N 3.47Å
161P98.3Very high97.5Very high68 Ų6867.3 Ų67.344%0.44233%0.331SS..Hα-helixtrans-58.3-39.5-178.224.2-34.2000112.8L159 A163 V164 D165L159-P161 VanDerWaalsContact C-CD 3.41Å; L159-P161 WeakPolarHBondContact O-CD 3.44Å; P161-A163 VanDerWaalsContact C-N 3.3Å; P161-A163 PolarHBondContact O-N 3.1Å; P161-V164 WeakPolarHBondContact O-CB 3.32Å; P161-V164 PolarHBondContact O-N 3.43Å; P161-V164 VanDerWaalsContact O-N 3.13Å; P161-D165 PolarHBondContact O-N 2.98Å
162D97.8Very high97.2Very high134 Ų13471.3 Ų71.372%0.71735%0.347SS*.Hα-helixtrans-62.6-37.7178-60.5-15.5000112.1F160 D165 E166F160-D162 VanDerWaalsContact C-N 3.3Å; F160-D162 PolarHBondContact O-N 3.18Å; D162-D165 PolarHBondContact O-N 3.26Å; D162-E166 PolarHBondContact O-N 3.49Å
163A97.9Very high96.9Very high10 Ų1065.3 Ų65.38%0.08333%0.329CS..Hα-helixtrans-70.3-37.617600000111.3Y60 F156 F160 P161 D165 E166 I167Y60-A163 HydrophobicContact CD1-CB 4.44Å; Y60-A163 HydrophobicContact CE1-CB 4.39Å; F156-A163 HydrophobicContact CZ-CB 3.98Å; F160-A163 HydrophobicContact CB-CB 3.92Å; F160-A163 PolarHBondContact O-N 3.11Å; F160-A163 VanDerWaalsContact O-N 3.1Å; P161-A163 VanDerWaalsContact C-N 3.3Å; P161-A163 PolarHBondContact O-N 3.1Å; A163-D165 VanDerWaalsContact C-N 3.33Å; A163-E166 PolarHBondContact O-N 3.31Å; A163-I167 WeakPolarHBondContact O-CB 3.43Å; A163-I167 WeakPolarHBondContact O-CG1 3.37Å; A163-I167 PolarHBondContact O-N 3.02Å
164V98.6Very high96.4Very high11 Ų1168.2 Ų68.27%0.06734%0.343CS..Hα-helixtrans-58.4-47.4172.7168.30000110.7L151 F156 C157 F160 P161 I167 K168L151-V164 HydrophobicContact CD2-CB 4.26Å; L151-V164 HydrophobicContact CD2-CG1 3.77Å; L151-V164 HydrophobicContact CD2-CG2 4.21Å; F156-V164 HydrophobicContact CD1-CG2 4.04Å; F156-V164 HydrophobicContact CE1-CG2 3.78Å; C157-V164 HydrophobicContact CB-CG2 4.15Å; F160-V164 PolarHBondContact O-N 3.47Å; P161-V164 WeakPolarHBondContact O-CB 3.32Å; P161-V164 PolarHBondContact O-N 3.43Å; P161-V164 VanDerWaalsContact O-N 3.13Å; V164-I167 PolarHBondContact O-N 3.19Å; V164-K168 HydrophobicContact CG1-CD 4.07Å; V164-K168 WeakPolarHBondContact O-CG 3.27Å; V164-K168 PolarHBondContact O-N 3.24Å
165D98.3Very high96Very high80 Ų8067.3 Ų67.343%0.42834%0.341SS..Hα-helixtrans-65.2-42.1-179-72.6-16000111.3P161 D162 A163 I167 K168 Q169P161-D165 PolarHBondContact O-N 2.98Å; D162-D165 PolarHBondContact O-N 3.26Å; A163-D165 VanDerWaalsContact C-N 3.33Å; D165-I167 PolarHBondContact O-N 3.08Å; D165-K168 PolarHBondContact O-N 3.23Å; D165-Q169 WeakPolarHBondContact O-CB 3.38Å; D165-Q169 VanDerWaalsContact O-CG 3.25Å; D165-Q169 WeakPolarHBondContact O-CG 3.23Å; D165-Q169 PolarHBondContact O-N 2.84Å
166E97.5Very high95.7Very high47 Ų4770 Ų7022%0.2235%0.35CS..Hα-helixtrans-61.8-42.4174.6-165.6-174.6176.300112.1R49 Y60 D162 A163 Q169 K170R49-E166 IonicContact CZ-OE1 2.67Å; R49-E166 IonicContact CZ-OE2 3.91Å; R49-E166 VanDerWaalsContact CZ-OE2 3.25Å; R49-E166 IonicContact NE-OE2 3.12Å; R49-E166 VanDerWaalsContact NH1-CD 3.33Å; R49-E166 IonicContact NH1-OE1 3.21Å; R49-E166 PolarHBondContact NH1-OE1 3.36Å; R49-E166 VanDerWaalsContact NH1-OE1 3.15Å; R49-E166 IonicContact NH1-OE2 3.31Å; R49-E166 PolarHBondContact NH1-OE2 3.49Å; R49-E166 IonicContact NH2-OE1 3.15Å; R49-E166 PolarHBondContact NH2-OE1 2.92Å; R49-E166 IonicContact NH2-OE2 3.48Å; Y60-E166 WeakPolarHBondContact OH-CG 3.4Å; Y60-E166 PolarHBondContact OH-OE1 2.74Å; Y60-E166 PolarHBondContact OH-OE2 3.43Å; D162-E166 PolarHBondContact O-N 3.49Å; A163-E166 PolarHBondContact O-N 3.31Å; E166-Q169 PolarHBondContact O-N 3.46Å; E166-K170 WeakPolarHBondContact O-CG 3.08Å; E166-K170 PolarHBondContact O-N 3.16Å; E166-K170 IonicContact OE1-NZ 3.84Å; E166-K170 PolarHBondContact OE1-NZ 3.42Å
167I97.6Very high95.2Very high0 Ų075.8 Ų75.80%038%0.38CS..Hα-helixtrans-62.2-46177-69.4169.4000110.6Y60 L147 L151 F156 A163 V164 D165 Q169 K170 Q171Y60-I167 HydrophobicContact CD1-CD1 4.08Å; Y60-I167 HydrophobicContact CD1-CG1 4.22Å; Y60-I167 HydrophobicContact CD2-CD1 4.17Å; Y60-I167 HydrophobicContact CD2-CG1 3.92Å; Y60-I167 HydrophobicContact CE1-CG1 4.21Å; Y60-I167 HydrophobicContact CE2-CG1 3.92Å; Y60-I167 HydrophobicContact CG-CD1 3.9Å; Y60-I167 HydrophobicContact CG-CG1 4.08Å; L147-I167 HydrophobicContact CB-CG2 3.75Å; L147-I167 HydrophobicContact CD2-CB 4.47Å; L147-I167 HydrophobicContact CD2-CD1 4.38Å; L147-I167 HydrophobicContact CD2-CG1 3.88Å; L147-I167 HydrophobicContact CD2-CG2 3.98Å; L147-I167 HydrophobicContact CG-CG2 4.32Å; L151-I167 HydrophobicContact CD1-CG2 3.79Å; L151-I167 HydrophobicContact CD2-CB 4.47Å; L151-I167 HydrophobicContact CD2-CG2 4.22Å; L151-I167 HydrophobicContact CG-CG2 3.94Å; F156-I167 HydrophobicContact CE1-CD1 3.93Å; F156-I167 HydrophobicContact CZ-CD1 3.74Å; A163-I167 WeakPolarHBondContact O-CB 3.43Å; A163-I167 WeakPolarHBondContact O-CG1 3.37Å; A163-I167 PolarHBondContact O-N 3.02Å; V164-I167 PolarHBondContact O-N 3.19Å; D165-I167 PolarHBondContact O-N 3.08Å; I167-Q169 VanDerWaalsContact C-N 3.35Å; I167-Q169 PolarHBondContact O-N 2.96Å; I167-K170 PolarHBondContact O-N 3.17Å; I167-Q171 WeakPolarHBondContact O-CG 3.47Å; I167-Q171 PolarHBondContact O-N 2.84Å
168K97.2Very high94.6Very high112 Ų11278.4 Ų78.449%0.48740%0.4SS..Hα-helixtrans-62.3-41.8178.7-74.6174.7179.5170.70111.9L151 V164 D165 K170 Q171 K172L151-K168 HydrophobicContact CD1-CG 4.45Å; V164-K168 HydrophobicContact CG1-CD 4.07Å; V164-K168 WeakPolarHBondContact O-CG 3.27Å; V164-K168 PolarHBondContact O-N 3.24Å; D165-K168 PolarHBondContact O-N 3.23Å; K168-K170 VanDerWaalsContact C-N 3.35Å; K168-Q171 PolarHBondContact O-N 3.43Å; K168-K172 WeakPolarHBondContact O-CB 3.49Å; K168-K172 PolarHBondContact O-N 3.04Å
169Q96.1Very high94.1Very high136 Ų13676.3 Ų76.364%0.63640%0.403SS*.Hα-helixtrans-62.2-42.9176.1-72.3172.417.700111.5D165 E166 I167 K172 A173D165-Q169 WeakPolarHBondContact O-CB 3.38Å; D165-Q169 VanDerWaalsContact O-CG 3.25Å; D165-Q169 WeakPolarHBondContact O-CG 3.23Å; D165-Q169 PolarHBondContact O-N 2.84Å; E166-Q169 PolarHBondContact O-N 3.46Å; I167-Q169 VanDerWaalsContact C-N 3.35Å; I167-Q169 PolarHBondContact O-N 2.96Å; Q169-K172 PolarHBondContact O-N 3.36Å; Q169-A173 WeakPolarHBondContact O-CB 3.39Å; Q169-A173 PolarHBondContact O-N 3.02Å
170K92.4Very high93.3Very high72 Ų7283.8 Ų83.831%0.31343%0.43SS..Hα-helixtrans-61.5-44.5175.8-76.9176.4175.7176.40112.6Y60 E166 I167 K168 A173 Q174Y60-K170 HydrophobicContact CE2-CD 4.4Å; Y60-K170 PolarHBondContact OH-NZ 3.37Å; E166-K170 WeakPolarHBondContact O-CG 3.08Å; E166-K170 PolarHBondContact O-N 3.16Å; E166-K170 IonicContact OE1-NZ 3.84Å; E166-K170 PolarHBondContact OE1-NZ 3.42Å; I167-K170 PolarHBondContact O-N 3.17Å; K168-K170 VanDerWaalsContact C-N 3.35Å; K170-A173 PolarHBondContact O-N 3.35Å; K170-Q174 WeakPolarHBondContact O-CB 3.43Å; K170-Q174 PolarHBondContact O-N 3.07Å
171Q92Very high92.2Very high55 Ų5589.2 Ų89.226%0.25747%0.466SS..Hα-helixtrans-61.6-47.5177.3-73.8-179.3-34.900111.5L147 I167 K168 A173 Q174 E175L147-Q171 HydrophobicContact CD1-CG 4.48Å; I167-Q171 WeakPolarHBondContact O-CG 3.47Å; I167-Q171 PolarHBondContact O-N 2.84Å; K168-Q171 PolarHBondContact O-N 3.43Å; Q171-A173 PolarHBondContact O-N 3.17Å; Q171-Q174 PolarHBondContact O-N 3.31Å; Q171-E175 WeakPolarHBondContact O-CG 3.49Å; Q171-E175 PolarHBondContact O-N 3.44Å
172K93.6Very high91.1Very high130 Ų13093.4 Ų93.457%0.56548%0.484SS*.Hα-helixtrans-59.2-46.2177.6-172.3-177.9-179.9-166.90112.2K168 Q169 Q174 E175 E176K168-K172 WeakPolarHBondContact O-CB 3.49Å; K168-K172 PolarHBondContact O-N 3.04Å; Q169-K172 PolarHBondContact O-N 3.36Å; K172-Q174 VanDerWaalsContact C-N 3.28Å; K172-Q174 PolarHBondContact O-N 3.28Å; K172-E175 PolarHBondContact O-N 2.93Å; K172-E176 WeakPolarHBondContact CE-OE1 3.28Å; K172-E176 IonicContact NZ-OE1 3.92Å; K172-E176 WeakPolarHBondContact O-CG 3.46Å; K172-E176 PolarHBondContact O-N 3.31Å
173A91.1Very high89.6Confident47 Ų4792.6 Ų92.639%0.38849%0.486SS..Hα-helixtrans-62.4-36.4178.300000112.3Q169 K170 Q171 L177Q169-A173 WeakPolarHBondContact O-CB 3.39Å; Q169-A173 PolarHBondContact O-N 3.02Å; K170-A173 PolarHBondContact O-N 3.35Å; Q171-A173 PolarHBondContact O-N 3.17Å; A173-L177 WeakPolarHBondContact O-CD1 3.49Å; A173-L177 PolarHBondContact O-N 3.3Å
174Q87.9Confident88.2Confident134 Ų13499.4 Ų99.463%0.62652%0.52SS*.Hα-helixtrans-71.9-38.9178.3-166.4167.73.600112.2K170 Q171 K172 L177 S178K170-Q174 WeakPolarHBondContact O-CB 3.43Å; K170-Q174 PolarHBondContact O-N 3.07Å; Q171-Q174 PolarHBondContact O-N 3.31Å; K172-Q174 VanDerWaalsContact C-N 3.28Å; K172-Q174 PolarHBondContact O-N 3.28Å; Q174-L177 PolarHBondContact O-N 2.84Å; Q174-S178 WeakPolarHBondContact O-CB 3.29Å; Q174-S178 PolarHBondContact O-N 2.86Å; Q174-S178 PolarHBondContact O-OG 2.94Å
175E89.9Confident86.7Confident129 Ų129104 Ų10460%0.60355%0.55SS**Hα-helixtrans-61.6-48.7172.3-74172.3-170.700111.1Q171 K172 L177 S178 A179Q171-E175 WeakPolarHBondContact O-CG 3.49Å; Q171-E175 PolarHBondContact O-N 3.44Å; K172-E175 PolarHBondContact O-N 2.93Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 3.34Å; E175-S178 WeakPolarHBondContact CA-OG 3.3Å; E175-S178 PolarHBondContact O-N 2.89Å; E175-S178 VanDerWaalsContact O-N 3.11Å; E175-S178 PolarHBondContact O-OG 3.49Å; E175-A179 WeakPolarHBondContact O-CB 3.31Å; E175-A179 PolarHBondContact O-N 3.04Å
176E91.2Very high85Confident107 Ų107107.7 Ų107.750%0.557%0.57SS.*Hα-helixtrans-59.5-40.2176.8-73.9176.6-172.500112.4K172 A179 R180K172-E176 WeakPolarHBondContact CE-OE1 3.28Å; K172-E176 IonicContact NZ-OE1 3.92Å; K172-E176 WeakPolarHBondContact O-CG 3.46Å; K172-E176 PolarHBondContact O-N 3.31Å; E176-A179 PolarHBondContact O-N 2.93Å; E176-R180 PolarHBondContact O-N 2.73Å
177L87.1Confident83.2Confident122 Ų122111.5 Ų111.564%0.63960%0.596SS**Hα-helixtrans-64.7-42.8173.9-11090.4000112A173 Q174 E175 A179 R180A173-L177 WeakPolarHBondContact O-CD1 3.49Å; A173-L177 PolarHBondContact O-N 3.3Å; Q174-L177 PolarHBondContact O-N 2.84Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 3.34Å; L177-A179 VanDerWaalsContact C-N 3.29Å; L177-A179 PolarHBondContact O-N 2.83Å; L177-R180 PolarHBondContact O-N 3.33Å
178S87.7Confident81.5Confident98 Ų98117.3 Ų117.369%0.68563%0.631SS**Hα-helixtrans-70.4-25.9-179.471.20000113.3Q174 E175Q174-S178 WeakPolarHBondContact O-CB 3.29Å; Q174-S178 PolarHBondContact O-N 2.86Å; Q174-S178 PolarHBondContact O-OG 2.94Å; E175-S178 WeakPolarHBondContact CA-OG 3.3Å; E175-S178 PolarHBondContact O-N 2.89Å; E175-S178 VanDerWaalsContact O-N 3.11Å; E175-S178 PolarHBondContact O-OG 3.49Å
179A86.1Confident79.5Confident79 Ų79117.6 Ų117.665%0.65364%0.644SS**THydrogen-bonded Turntrans-84.2-8.1178.500000113.5E175 E176 L177E175-A179 WeakPolarHBondContact O-CB 3.31Å; E175-A179 PolarHBondContact O-N 3.04Å; E176-A179 PolarHBondContact O-N 2.93Å; L177-A179 VanDerWaalsContact C-N 3.29Å; L177-A179 PolarHBondContact O-N 2.83Å
180R81.9Confident77.6Confident181 Ų181119 Ų11968%0.68366%0.656SS**SBendtrans-68.8127.2176.1-79.1177178.7-168-1110E176 L177 L182E176-R180 PolarHBondContact O-N 2.73Å; L177-R180 PolarHBondContact O-N 3.33Å; R180-L182 PolarHBondContact O-N 3.39Å
181P76.5Confident75.4Confident121 Ų121119.1 Ų119.179%0.78668%0.678SS**PPolyproline II helixtrans-54.9134170.3-21.131.3000109.5
182L74.3Confident73Confident157 Ų157123.9 Ų123.982%0.82271%0.705SS**PPolyproline II helixtrans-54138169.9-71.6169.8000108.3R180 L184R180-L182 PolarHBondContact O-N 3.39Å; L182-L184 PolarHBondContact O-N 2.72Å; L182-L184 VanDerWaalsContact O-N 3.09Å
183P66.7Low70.7Confident117 Ų117123.4 Ų123.476%0.7672%0.715SS**PPolyproline II helixtrans-52.1123.9169.5-19.329.5000107.6
184L68.8Low68.3Low152 Ų152130.5 Ų130.580%0.79674%0.74SS**PPolyproline II helixtrans-54.3134.6169.3-73.4166.5000106.7L182 D186L182-L184 PolarHBondContact O-N 2.72Å; L182-L184 VanDerWaalsContact O-N 3.09Å; L184-D186 PolarHBondContact O-N 3.21Å; L184-D186 VanDerWaalsContact O-N 3.15Å
185P66.8Low66Low109 Ų109133.6 Ų133.671%0.70876%0.755SS**PPolyproline II helixtrans-54.1127.9171.521.8-30000107.4V187P185-V187 PolarHBondContact O-N 2.97Å
186D63.2Low63.3Low157 Ų157130.7 Ų130.784%0.8476%0.759SS**  trans-50107.1177.1-70.8-45000107.7L184 V188L184-D186 PolarHBondContact O-N 3.21Å; L184-D186 VanDerWaalsContact O-N 3.15Å; D186-V188 VanDerWaalsContact C-N 3.28Å; D186-V188 PolarHBondContact O-N 3.47Å
187V59.8Low60.7Low127 Ų127131.3 Ų131.377%0.7777%0.766SS**  trans-66.1100.5170.9177.20000104.4P185 P189P185-V187 PolarHBondContact O-N 2.97Å; V187-P189 VanDerWaalsContact O-CD 3.28Å; V187-P189 WeakPolarHBondContact O-CD 3.38Å; V187-P189 VanDerWaalsContact O-N 3.14Å
188V60.2Low58.2Low122 Ų122135.7 Ų135.774%0.73978%0.775SS**PPolyproline II helixtrans-51.4119.4165.8-130.70000105.6D186 D190D186-V188 VanDerWaalsContact C-N 3.28Å; D186-V188 PolarHBondContact O-N 3.47Å; V188-D190 PolarHBondContact O-N 3.24Å
189P56.4Low55.6Low118 Ų118134.7 Ų134.777%0.76678%0.78SS**PPolyproline II helixtrans-60.1118.3176.4-20.732000107.9V187 G191V187-P189 VanDerWaalsContact O-CD 3.28Å; V187-P189 WeakPolarHBondContact O-CD 3.38Å; V187-P189 VanDerWaalsContact O-N 3.14Å; P189-G191 PolarHBondContact O-N 2.94Å
190D55.9Low53.4Low166 Ų166138.5 Ų138.589%0.88879%0.788SS**PPolyproline II helixtrans-52.4116.4172.3-86.7-39.8000108.4V188 D192V188-D190 PolarHBondContact O-N 3.24Å; D190-D192 PolarHBondContact O-N 2.96Å
191G45.4Very low51.4Low74 Ų74135.8 Ų135.876%0.76379%0.794SS**PPolyproline II helixtrans-65.4130.2171.300000110.2P189P189-G191 PolarHBondContact O-N 2.94Å
192D42.5Very low49.5Very low154 Ų154133.9 Ų133.982%0.82479%0.789SS**  trans5.1137.9169.4-98.1-31.1000121.3D190 Q194D190-D192 PolarHBondContact O-N 2.96Å; D192-Q194 PolarHBondContact O-N 3.38Å
193P45.5Very low47.7Very low121 Ų121135.1 Ų135.179%0.78680%0.795SS**  trans-78.9107.5174.432-29.2000111H195P193-H195 PolarHBondContact O-N 3.47Å
194Q40.3Very low46Very low195 Ų195137.3 Ų137.391%0.91180%0.8SS**  trans-78.4116.2160.8-86.2-166.11.500111.2D192D192-Q194 PolarHBondContact O-N 3.38Å
195H40.2Very low44.2Very low200 Ų200133.8 Ų133.893%0.92680%0.8SS**  trans-57127.3166.1-146.668000110.9P193P193-H195 PolarHBondContact O-N 3.47Å
196G34.1Very low42.4Very low68 Ų68132.4 Ų132.470%0.70181%0.806SS**  trans169.475.2173.600000115.1
197N35.6Very low41Very low119 Ų119134.7 Ų134.764%0.63681%0.811SS**  trans35.5119.5135.6-162.533.5000118.5
198Y35.4Very low39.7Very low215 Ų215132.1 Ų132.184%0.84381%0.81SS**  168.1115.9120.4-85.3-66.2000111.1
199G32.7Very low39Very low76 Ų76131.8 Ų131.878%0.78481%0.811SS**  trans69.5102.1135.900000120.4
200I39.6Very low37.9Very low159 Ų159134.6 Ų134.682%0.81582%0.818SS**  trans-75.5137.2147.7-65.5-80.2000107.5
201P39.7Very low36.7Very low124 Ų124130 Ų13081%0.80581%0.811SS**  -132.5139106.115.94.8000113.6
202A37.8Very low36.8Very low82 Ų82132.8 Ų132.868%0.67882%0.815SS**  trans-63144.8166.800000111.8
203L35.9Very low36.3Very low183 Ų183130.5 Ų130.596%0.95882%0.817SS**  trans-143.5135.3147.7-81.6-177.4000112.1
204N31Very low35.6Very low163 Ų163132.2 Ų132.287%0.87282%0.82SS**  trans-97.2143.8-175-171.517.5000109.3
205G30.2Very low36Very low77 Ų77128.2 Ų128.279%0.79481%0.811SS**  trans79.2137.4150.200000119.6
206G30.2Very low35.7Very low80 Ų80123.3 Ų123.383%0.82581%0.805SS**  trans157.8102.5157.700000116
207H33.3Very low36.1Very low205 Ų205126.1 Ų126.195%0.94981%0.811SS**  trans-64.9153.2170-77.829.1000114.1
208G31.8Very low35.8Very low73 Ų73124 Ų12475%0.75382%0.817SS**  trans140.4149.6143.300000117
209P46.4Very low35.9Very low115 Ų115122.6 Ų122.675%0.74782%0.823SS**  trans-129172.7-135.839.9-22.9000117.4
210L32.4Very low36Very low177 Ų177126.8 Ų126.893%0.92782%0.823SS**  trans65.8129.2149.7-69.2158.5000121.8
211G31.8Very low35.8Very low71 Ų71126.7 Ų126.773%0.73282%0.819SS**  trans163.1121155.700000114.9
212P47.3Very low35.5Very low131 Ų131125.9 Ų125.985%0.85182%0.823SS**  trans-104.9154.8-17238.2-30.6000114.3
213A31.9Very low35.6Very low106 Ų106127.5 Ų127.588%0.87682%0.82SS**  trans171.7137.6141.100000114
214N31.2Very low35.7Very low158 Ų158129.6 Ų129.685%0.84582%0.815SS**  trans-66.8-172.9172.8-85.8-26.1000114.9
215P47.1Very low36.1Very low110 Ų110127.7 Ų127.771%0.71481%0.805SS**  cis-137.8166.2-38.935.1-17.2000115.9
216A35.2Very low37Very low97 Ų97133.7 Ų133.780%0.80281%0.812SS**  trans60.1158.8148.200000120.2
217P42.2Very low37.4Very low127 Ų127132.3 Ų132.383%0.82580%0.798SS**  cis-140.4163.121.539.6-19000118.6
218G29.7Very low38.3Very low75 Ų75131 Ų13177%0.77380%0.797SS**  84.3103129.500000120.2
219L36Very low39.1Very low185 Ų185134 Ų13497%0.96980%0.795SS**  trans-140.8140.3133.7-92.7178000110.6
220Q34.5Very low39.2Very low165 Ų165131.2 Ų131.277%0.77179%0.787SS**  trans-102.2124.5-161.4-171.8161.98.300111.1
221Q37.1Very low40.2Very low156 Ų156124.8 Ų124.873%0.72976%0.764SS**  trans60.3120.6132.6-154.615714.200121.3
222A32.8Very low41.2Very low108 Ų108124.3 Ų124.389%0.89375%0.753SS**  trans-142.2104.2137.600000110.1
223N38.8Very low41.6Very low116 Ų116123.1 Ų123.162%0.6274%0.739SS**  trans-87.8135.2164.1174.721.2000108.1
224R39.3Very low42.9Very low226 Ų226120.6 Ų120.685%0.85372%0.718SS**  trans-176.5112.2136.3-104.7168.2174.3178.3-1.2114
225N39.4Very low44.2Very low124 Ų124118 Ų11866%0.66370%0.704SS**  46.7101.9122.3-56.7-11.2000120.1
226H48.2Very low45.3Very low203 Ų203117.6 Ų117.694%0.9470%0.696SS**  trans-114.8109.5134.5-103.4-93.9000105.9
227G39Very low46.9Very low51 Ų51120.7 Ų120.753%0.52669%0.691SS.*  cis115.496.426.900000107.3L229G227-L229 PolarHBondContact O-N 2.99Å
228L51.3Low48.4Very low178 Ų178118.6 Ų118.693%0.93268%0.676SS**THydrogen-bonded Turntrans-55.512.3-173.7-143.678.9000116.4
229L50.6Low50.7Low134 Ų134120.4 Ų120.470%0.70267%0.667SS**THydrogen-bonded Turntrans-101.3-15.3-172.7-76.7161.9000114.2G227G227-L229 PolarHBondContact O-N 2.99Å
230G47.4Very low53Low57 Ų57115.9 Ų115.959%0.58865%0.646SS**Hα-helixtrans-70.5-30.7178.400000114.2
231G53.8Low55.3Low43 Ų43109.9 Ų109.944%0.44363%0.629SS.*Hα-helixtrans-79.6-33.4-178.700000114.2N235G231-N235 WeakPolarHBondContact O-CB 3.41Å; G231-N235 PolarHBondContact O-N 2.93Å; G231-N235 VanDerWaalsContact O-N 3.1Å; G231-N235 PolarHBondContact O-ND2 3.3Å
232A52.5Low57.6Low61 Ų61109.4 Ų109.450%0.50463%0.625SS.*Hα-helixtrans-71.7-38.1-177.600000112.4N235 L236A232-N235 PolarHBondContact O-N 2.98Å; A232-L236 PolarHBondContact O-N 2.93Å; A232-L236 VanDerWaalsContact O-N 3.11Å
233L55.3Low60.1Low106 Ų106107.1 Ų107.156%0.55561%0.606SS**Hα-helixtrans-69.6-40.4176.7-67.6174000111.7N235 L236 F237L233-N235 VanDerWaalsContact C-N 3.34Å; L233-N235 PolarHBondContact O-N 3.5Å; L233-L236 WeakPolarHBondContact O-CB 3.48Å; L233-L236 PolarHBondContact O-N 3.39Å; L233-F237 WeakPolarHBondContact O-CD2 3.45Å; L233-F237 PolarHBondContact O-N 3.48Å
234A59Low62.4Low53 Ų53104.3 Ų104.344%0.43860%0.598SS.*Hα-helixtrans-61.8-41.317500000112.1L236 F237 V238A234-L236 VanDerWaalsContact C-N 3.31Å; A234-L236 PolarHBondContact O-N 3.28Å; A234-F237 PolarHBondContact O-N 3.4Å; A234-V238 WeakPolarHBondContact O-CG2 3.43Å; A234-V238 PolarHBondContact O-N 2.71Å
235N59.7Low64.8Low103 Ų103100.2 Ų100.255%0.55159%0.587SS**Hα-helixtrans-64.9-34.1175.1-71.6-21.4000112.5G231 A232 L233 V238 I239G231-N235 WeakPolarHBondContact O-CB 3.41Å; G231-N235 PolarHBondContact O-N 2.93Å; G231-N235 VanDerWaalsContact O-N 3.1Å; G231-N235 PolarHBondContact O-ND2 3.3Å; A232-N235 PolarHBondContact O-N 2.98Å; L233-N235 VanDerWaalsContact C-N 3.34Å; L233-N235 PolarHBondContact O-N 3.5Å; N235-V238 PolarHBondContact O-N 3.33Å; N235-I239 WeakPolarHBondContact O-CD1 3.4Å; N235-I239 WeakPolarHBondContact O-CG1 3.26Å; N235-I239 PolarHBondContact O-N 2.96Å
236L69.3Low67Low102 Ų10297.1 Ų97.153%0.53458%0.579SS.*Hα-helixtrans-65.9-44.2177.6-164.479.2000111.8A232 L233 A234 V238 I239 V240A232-L236 PolarHBondContact O-N 2.93Å; A232-L236 VanDerWaalsContact O-N 3.11Å; L233-L236 WeakPolarHBondContact O-CB 3.48Å; L233-L236 PolarHBondContact O-N 3.39Å; A234-L236 VanDerWaalsContact C-N 3.31Å; A234-L236 PolarHBondContact O-N 3.28Å; L236-V238 VanDerWaalsContact C-N 3.3Å; L236-V238 PolarHBondContact O-N 2.93Å; L236-I239 PolarHBondContact O-N 2.98Å; L236-V240 HydrophobicContact CG-CG2 4.45Å; L236-V240 WeakPolarHBondContact O-CB 3.28Å; L236-V240 VanDerWaalsContact O-CG2 3.28Å; L236-V240 WeakPolarHBondContact O-CG2 3.38Å; L236-V240 PolarHBondContact O-N 3.39Å
237F69.8Low69.1Low161 Ų16195.2 Ų95.271%0.70656%0.564SS**Hα-helixtrans-61.9-38.3177.4-74.3-67.8000112.3L233 A234 G241L233-F237 WeakPolarHBondContact O-CD2 3.45Å; L233-F237 PolarHBondContact O-N 3.48Å; A234-F237 PolarHBondContact O-N 3.4Å; F237-G241 PolarHBondContact O-N 3.27Å
238V73.1Confident71.5Confident84 Ų8496.7 Ų96.751%0.50956%0.563SS.*Hα-helixtrans-67.1-45.4176.7176.20000110.9A234 N235 L236 G241 F242A234-V238 WeakPolarHBondContact O-CG2 3.43Å; A234-V238 PolarHBondContact O-N 2.71Å; N235-V238 PolarHBondContact O-N 3.33Å; L236-V238 VanDerWaalsContact C-N 3.3Å; L236-V238 PolarHBondContact O-N 2.93Å; V238-G241 PolarHBondContact O-N 2.93Å; V238-F242 HydrophobicContact CG1-CD2 3.8Å; V238-F242 HydrophobicContact CG1-CE2 3.96Å; V238-F242 WeakPolarHBondContact O-CD2 3.24Å; V238-F242 PolarHBondContact O-N 2.95Å
239I78.3Confident73.3Confident113 Ų11391.1 Ų91.158%0.57954%0.536SS*.Hα-helixtrans-64.9-44.4-179.8-67.7164.8000111.1N235 L236 G241 F242 A243N235-I239 WeakPolarHBondContact O-CD1 3.4Å; N235-I239 WeakPolarHBondContact O-CG1 3.26Å; N235-I239 PolarHBondContact O-N 2.96Å; L236-I239 PolarHBondContact O-N 2.98Å; I239-G241 VanDerWaalsContact C-N 3.34Å; I239-G241 PolarHBondContact O-N 2.93Å; I239-F242 PolarHBondContact O-N 3.27Å; I239-A243 WeakPolarHBondContact O-CB 3.46Å; I239-A243 PolarHBondContact O-N 3.47Å
240V83.3Confident75.1Confident89 Ų8990.3 Ų90.354%0.53953%0.527SS..Hα-helixtrans-64.5-40.4177.3174.80000110.8L236 A243 A244L236-V240 HydrophobicContact CG-CG2 4.45Å; L236-V240 WeakPolarHBondContact O-CB 3.28Å; L236-V240 VanDerWaalsContact O-CG2 3.28Å; L236-V240 WeakPolarHBondContact O-CG2 3.38Å; L236-V240 PolarHBondContact O-N 3.39Å; V240-A243 PolarHBondContact O-N 2.99Å; V240-A244 WeakPolarHBondContact O-CB 3.37Å; V240-A244 PolarHBondContact O-N 3.28Å
241G82.7Confident77.1Confident39 Ų3994.9 Ų94.940%0.40253%0.528SS..Hα-helixtrans-62.3-44.6175.500000113.3F237 V238 I239 A244 F245F237-G241 PolarHBondContact O-N 3.27Å; V238-G241 PolarHBondContact O-N 2.93Å; I239-G241 VanDerWaalsContact C-N 3.34Å; I239-G241 PolarHBondContact O-N 2.93Å; G241-A244 PolarHBondContact O-N 3.47Å; G241-F245 WeakPolarHBondContact O-CB 3.44Å; G241-F245 PolarHBondContact O-N 3.13Å
242F85.4Confident78.7Confident147 Ų14796.1 Ų96.165%0.64553%0.527SS*.Hα-helixtrans-66.1-39.2176.5-94.3-83000112.6V238 I239 F245 A246V238-F242 HydrophobicContact CG1-CD2 3.8Å; V238-F242 HydrophobicContact CG1-CE2 3.96Å; V238-F242 WeakPolarHBondContact O-CD2 3.24Å; V238-F242 PolarHBondContact O-N 2.95Å; I239-F242 PolarHBondContact O-N 3.27Å; F242-F245 PolarHBondContact O-N 3.41Å; F242-A246 WeakPolarHBondContact O-CB 3.33Å; F242-A246 PolarHBondContact O-N 3.25Å
243A85.1Confident80.3Confident60 Ų6098.6 Ų98.650%0.49653%0.531SS..Hα-helixtrans-65.7-42.8177.200000111.9I239 V240 A246 Y247I239-A243 WeakPolarHBondContact O-CB 3.46Å; I239-A243 PolarHBondContact O-N 3.47Å; V240-A243 PolarHBondContact O-N 2.99Å; A243-A246 PolarHBondContact O-N 3Å; A243-Y247 WeakPolarHBondContact O-CB 3.43Å; A243-Y247 PolarHBondContact O-N 3.27Å
244A87.5Confident81.6Confident56 Ų56101.2 Ų101.246%0.46353%0.533SS..Hα-helixtrans-63.3-44.8175.500000111.6V240 G241 Y247 T248V240-A244 WeakPolarHBondContact O-CB 3.37Å; V240-A244 PolarHBondContact O-N 3.28Å; G241-A244 PolarHBondContact O-N 3.47Å; A244-Y247 PolarHBondContact O-N 2.95Å; A244-T248 PolarHBondContact O-N 3.49Å; A244-T248 PolarHBondContact O-OG1 3.45Å; A244-T248 VanDerWaalsContact O-OG1 3.13Å
245F89.4Confident82.6Confident141 Ų141101.5 Ų101.562%0.61853%0.532SS*.Hα-helixtrans-61.2-46.8176.5179.7-101.2000112.2G241 F242 Y247 T248 V249G241-F245 WeakPolarHBondContact O-CB 3.44Å; G241-F245 PolarHBondContact O-N 3.13Å; F242-F245 PolarHBondContact O-N 3.41Å; F245-Y247 VanDerWaalsContact C-N 3.29Å; F245-Y247 PolarHBondContact O-N 3.45Å; F245-T248 PolarHBondContact O-N 2.85Å; F245-V249 HydrophobicContact CD1-CG2 4.33Å; F245-V249 HydrophobicContact CE1-CG2 3.92Å; F245-V249 HydrophobicContact CE2-CG2 4.19Å; F245-V249 HydrophobicContact CZ-CG2 3.85Å; F245-V249 WeakPolarHBondContact O-CG2 3.26Å; F245-V249 PolarHBondContact O-N 3.41Å
246A86.9Confident83.5Confident58 Ų58102 Ų10248%0.47953%0.533SS..Hα-helixtrans-62.1-37.317700000112.3F242 A243 K250F242-A246 WeakPolarHBondContact O-CB 3.33Å; F242-A246 PolarHBondContact O-N 3.25Å; A243-A246 PolarHBondContact O-N 3Å; A246-K250 VanDerWaalsContact O-CB 3.31Å; A246-K250 WeakPolarHBondContact O-CB 3.42Å; A246-K250 PolarHBondContact O-N 2.92Å
247Y92.5Very high83.7Confident164 Ų164100.9 Ų100.964%0.64354%0.539SS*.Hα-helixtrans-66.2-44.9175.5-171.8-93.4000111.8A243 A244 F245 K250 Y251A243-Y247 WeakPolarHBondContact O-CB 3.43Å; A243-Y247 PolarHBondContact O-N 3.27Å; A244-Y247 PolarHBondContact O-N 2.95Å; F245-Y247 VanDerWaalsContact C-N 3.29Å; F245-Y247 PolarHBondContact O-N 3.45Å; Y247-K250 PolarHBondContact O-N 2.97Å; Y247-Y251 WeakPolarHBondContact O-CB 3.31Å; Y247-Y251 PolarHBondContact O-N 2.76Å
248T88.9Confident83.4Confident82 Ų82101.6 Ų101.650%0.50355%0.545SS..Hα-helixtrans-62-44.9177-60.40000111.7A244 F245 K250 Y251 V252A244-T248 PolarHBondContact O-N 3.49Å; A244-T248 PolarHBondContact O-OG1 3.45Å; A244-T248 VanDerWaalsContact O-OG1 3.13Å; F245-T248 PolarHBondContact O-N 2.85Å; T248-K250 VanDerWaalsContact C-N 3.34Å; T248-K250 PolarHBondContact O-N 3.01Å; T248-Y251 PolarHBondContact O-N 3.48Å; T248-V252 HydrophobicContact CG2-CG2 4.45Å; T248-V252 VanDerWaalsContact O-CG2 3.31Å; T248-V252 WeakPolarHBondContact O-CG2 3.31Å; T248-V252 PolarHBondContact O-N 3.32Å
249V89.7Confident82.4Confident60 Ų60108.4 Ų108.436%0.36457%0.571SS.*Hα-helixtrans-61-44.4175.8171.90000110.9F245 Y251 V252 L253F245-V249 HydrophobicContact CD1-CG2 4.33Å; F245-V249 HydrophobicContact CE1-CG2 3.92Å; F245-V249 HydrophobicContact CE2-CG2 4.19Å; F245-V249 HydrophobicContact CZ-CG2 3.85Å; F245-V249 WeakPolarHBondContact O-CG2 3.26Å; F245-V249 PolarHBondContact O-N 3.41Å; V249-Y251 VanDerWaalsContact C-N 3.33Å; V249-Y251 PolarHBondContact O-N 3.28Å; V249-V252 PolarHBondContact O-N 2.95Å; V249-L253 HydrophobicContact CG1-CD1 3.86Å; V249-L253 HydrophobicContact CG1-CG 4.35Å; V249-L253 WeakPolarHBondContact O-CB 3.41Å; V249-L253 VanDerWaalsContact O-CG 3.26Å; V249-L253 WeakPolarHBondContact O-CG 3.45Å; V249-L253 PolarHBondContact O-N 2.96Å
250K87.4Confident82.6Confident118 Ų118108.2 Ų108.251%0.51357%0.571SS.*Hα-helixtrans-64.2-37.5177.5-172.5178.3-178.7178.60112.5A246 Y247 T248 R254A246-K250 VanDerWaalsContact O-CB 3.31Å; A246-K250 WeakPolarHBondContact O-CB 3.42Å; A246-K250 PolarHBondContact O-N 2.92Å; Y247-K250 PolarHBondContact O-N 2.97Å; T248-K250 VanDerWaalsContact C-N 3.34Å; T248-K250 PolarHBondContact O-N 3.01Å; K250-R254 WeakPolarHBondContact O-CB 3.39Å; K250-R254 WeakPolarHBondContact O-CG 3.44Å; K250-R254 PolarHBondContact O-N 3.1Å; K250-R254 VanDerWaalsContact O-N 3.1Å
251Y89.8Confident82.5Confident152 Ų152109.2 Ų109.260%0.59657%0.572SS**Hα-helixtrans-66.1-47.9176.3-178.7-94.6000111.2Y247 T248 V249 L253 R254 S255Y247-Y251 WeakPolarHBondContact O-CB 3.31Å; Y247-Y251 PolarHBondContact O-N 2.76Å; T248-Y251 PolarHBondContact O-N 3.48Å; V249-Y251 VanDerWaalsContact C-N 3.33Å; V249-Y251 PolarHBondContact O-N 3.28Å; Y251-L253 PolarHBondContact O-N 3.37Å; Y251-R254 PolarHBondContact O-N 3.23Å; Y251-S255 PolarHBondContact O-N 3.35Å
252V88.1Confident82.5Confident70 Ų70113.1 Ų113.142%0.42458%0.582SS.*Hα-helixtrans-61.6-46178.3171.20000111.3T248 V249 R254 S255 I256T248-V252 HydrophobicContact CG2-CG2 4.45Å; T248-V252 VanDerWaalsContact O-CG2 3.31Å; T248-V252 WeakPolarHBondContact O-CG2 3.31Å; T248-V252 PolarHBondContact O-N 3.32Å; V249-V252 PolarHBondContact O-N 2.95Å; V252-R254 VanDerWaalsContact C-N 3.3Å; V252-R254 PolarHBondContact O-N 3.17Å; V252-S255 PolarHBondContact O-N 3.44Å; V252-S255 VanDerWaalsContact O-N 3.17Å; V252-I256 HydrophobicContact CG1-CD1 3.72Å; V252-I256 HydrophobicContact CG1-CG1 4.44Å; V252-I256 VanDerWaalsContact O-CG1 3.31Å; V252-I256 WeakPolarHBondContact O-CG1 3.4Å; V252-I256 PolarHBondContact O-N 3.37Å
253L84.7Confident82.4Confident113 Ų113111.1 Ų111.159%0.59258%0.578SS**Hα-helixtrans-62.8-35.7177.3-70.6174.1000112.7V249 Y251 A257V249-L253 HydrophobicContact CG1-CD1 3.86Å; V249-L253 HydrophobicContact CG1-CG 4.35Å; V249-L253 WeakPolarHBondContact O-CB 3.41Å; V249-L253 VanDerWaalsContact O-CG 3.26Å; V249-L253 WeakPolarHBondContact O-CG 3.45Å; V249-L253 PolarHBondContact O-N 2.96Å; Y251-L253 PolarHBondContact O-N 3.37Å; L253-A257 WeakPolarHBondContact O-CB 3.31Å; L253-A257 PolarHBondContact O-N 2.93Å
254R82.9Confident82.2Confident161 Ų161114.3 Ų114.361%0.60858%0.583SS**Hα-helixtrans-71-37174-80.2-177.4172.9-169.9-5112.5K250 Y251 V252 A257 Q258K250-R254 WeakPolarHBondContact O-CB 3.39Å; K250-R254 WeakPolarHBondContact O-CG 3.44Å; K250-R254 PolarHBondContact O-N 3.1Å; K250-R254 VanDerWaalsContact O-N 3.1Å; Y251-R254 PolarHBondContact O-N 3.23Å; V252-R254 VanDerWaalsContact C-N 3.3Å; V252-R254 PolarHBondContact O-N 3.17Å; R254-A257 PolarHBondContact O-N 3.44Å; R254-Q258 PolarHBondContact O-N 3.27Å
255S81.1Confident81.9Confident59 Ų59118.2 Ų118.241%0.41359%0.591SS.*Hα-helixtrans-67.4-39.2178.1-170.30000111.6Y251 V252 A257 Q258Y251-S255 PolarHBondContact O-N 3.35Å; V252-S255 PolarHBondContact O-N 3.44Å; V252-S255 VanDerWaalsContact O-N 3.17Å; S255-A257 VanDerWaalsContact C-N 3.26Å; S255-A257 PolarHBondContact O-N 2.96Å; S255-Q258 PolarHBondContact O-N 2.88Å
256I78.4Confident81.3Confident112 Ų112116.6 Ų116.657%0.57459%0.59SS**Hα-helixtrans-67.9-28.9176.4-65.8165.3000111.3V252 Q258V252-I256 HydrophobicContact CG1-CD1 3.72Å; V252-I256 HydrophobicContact CG1-CG1 4.44Å; V252-I256 VanDerWaalsContact O-CG1 3.31Å; V252-I256 WeakPolarHBondContact O-CG1 3.4Å; V252-I256 PolarHBondContact O-N 3.37Å; I256-Q258 VanDerWaalsContact C-N 3.3Å; I256-Q258 PolarHBondContact O-N 3.08Å
257A72.9Confident80.9Confident80 Ų80121.1 Ų121.166%0.66160%0.598SS**THydrogen-bonded Turntrans-81.9-4.3179.600000114.2L253 R254 S255L253-A257 WeakPolarHBondContact O-CB 3.31Å; L253-A257 PolarHBondContact O-N 2.93Å; R254-A257 PolarHBondContact O-N 3.44Å; S255-A257 VanDerWaalsContact C-N 3.26Å; S255-A257 PolarHBondContact O-N 2.96Å
258Q63.9Low79.9Confident176 Ų176117.5 Ų117.582%0.82259%0.594SS**THydrogen-bonded Turntrans-108.2-1.9179-72.3-168.5-49.800113.9R254 S255 I256R254-Q258 PolarHBondContact O-N 3.27Å; S255-Q258 PolarHBondContact O-N 2.88Å; I256-Q258 VanDerWaalsContact C-N 3.3Å; I256-Q258 PolarHBondContact O-N 3.08Å
259E51.2Low79.1Confident227 Ų227120.7 Ų120.7100%1.06160%0.602SS**  trans-97.20165.6-69.4-173164.400110.7

Retrieved 259 of 259 residues in 1450.7 ms (Link to these results)

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