A0A077ZE22_TRITR Loading...

Inosine-5'-monophosphate dehydrogenase

Catalyzes the conversion of inosine 5'-phosphate (IMP) to xanthosine 5'-phosphate (XMP), the first committed and rate-limiting step in the de novo synthesis of guanine nucleotides, and therefore plays an important role in the regulation of cell growth.

AlphaFold DB , UniProt , Accession A0A077ZE22, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 562 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
1M36.3Very low52Low247 Ų247145.8 Ų145.8100%1.21777%0.766SS**  0830-70.5-179.9-173.400107.3
2V36.9Very low55.2Low138 Ų138137.6 Ų137.684%0.83672%0.723SS**  trans-103.3122.5162.3-178.80000103E4V2-E4 PolarHBondContact O-N 3.11Å; V2-E4 VanDerWaalsContact O-N 3.1Å
3A35.2Very low57.9Low88 Ų88128.5 Ų128.573%0.72768%0.678SS**  trans-65.4109.6178.300000108.1H5A3-H5 PolarHBondContact O-N 3.29Å; A3-H5 VanDerWaalsContact O-N 3.11Å
4E37.2Very low60Low175 Ų175119.6 Ų119.682%0.81863%0.631SS**  trans-71.397.4167.1-73.7174.3167.900107.1V2 E6V2-E4 PolarHBondContact O-N 3.11Å; V2-E4 VanDerWaalsContact O-N 3.1Å; E4-E6 PolarHBondContact O-N 2.84Å
5H41.1Very low61.8Low169 Ų169116.6 Ų116.678%0.78262%0.616SS**  trans-69.7103.6150.7-88.5-76.4000105.8A3 E7A3-H5 PolarHBondContact O-N 3.29Å; A3-H5 VanDerWaalsContact O-N 3.11Å; H5-E7 PolarHBondContact O-N 3.39Å
6E41.2Very low63.5Low186 Ų186114.2 Ų114.287%0.86960%0.6SS**  trans-66.983.1166.4-75.4-176.4152.400108.1E4E4-E6 PolarHBondContact O-N 2.84Å
7E54.2Low64.9Low171 Ų171107.5 Ų107.580%0.79957%0.565SS**PPolyproline II helixtrans-67.8138.7159.3-74.2-177.415900108.2H5H5-E7 PolarHBondContact O-N 3.39Å
8E58.4Low66Low183 Ų183102 Ų10286%0.85554%0.535SS*.PPolyproline II helixtrans-53.3129.5172.7-82.6-173.4157.300108.8D10E8-D10 PolarHBondContact O-N 2.86Å; E8-D10 VanDerWaalsContact O-N 3.11Å
9P65.4Low66.4Low84 Ų84103.4 Ų103.455%0.54554%0.539SS..PPolyproline II helixtrans-65.7118-173.824.4-32.6000110.5
10D79Confident65.8Low141 Ų14199.8 Ų99.875%0.75453%0.528SS*.SBendtrans-54.5142.1174-81.7-24.1000111.8E8 R543E8-D10 PolarHBondContact O-N 2.86Å; E8-D10 VanDerWaalsContact O-N 3.11Å; D10-R543 VanDerWaalsContact O-CB 3.27Å; D10-R543 WeakPolarHBondContact O-CB 3.23Å; D10-R543 VanDerWaalsContact O-CG 3.27Å; D10-R543 WeakPolarHBondContact O-CG 3.44Å; D10-R543 PolarHBondContact O-NE 3.29Å
11G86.9Confident64.4Low22 Ų22102.8 Ų102.823%0.22754%0.539CS..SBendtrans86.3-174.4-179.200000114.7R543G11-R543 PolarHBondContact O-NH2 2.98Å
12L90.5Very high64.5Low47 Ų4799.7 Ų99.725%0.24652%0.522CS..BIsolated β-bridgetrans-106.2141.1-175.6-55173.9000111.3E16 L17 R543 F544 K546L12-E16 HydrophobicContact CB-CB 4.04Å; L12-E16 HydrophobicContact CD2-CB 4.12Å; L12-L17 HydrophobicContact CB-CB 4.39Å; L12-L17 HydrophobicContact CD1-CD1 4.11Å; L12-R543 CarbonylContact O-C 3.58Å; L12-F544 WeakPolarHBondContact CB-O 3.49Å; L12-F544 PolarHBondContact N-O 3.44Å; L12-F544 WeakPolarHBondContact O-CD2 3.19Å; L12-F544 PolarHBondContact O-N 3.12Å; L12-K546 HydrophobicContact CD1-CD 4.3Å; L12-K546 HydrophobicContact CD1-CG 4.09Å
13S90.4Very high64.3Low20 Ų2096.1 Ų96.114%0.1451%0.513CS..  trans-67.6166.9161.664.60000111.2D15 E16 L17S13-D15 VanDerWaalsContact C-N 3.26Å; S13-D15 PolarHBondContact O-N 3Å; S13-E16 VanDerWaalsContact CB-OE2 3.24Å; S13-E16 WeakPolarHBondContact CB-OE2 3.34Å; S13-E16 PolarHBondContact N-OE2 2.97Å; S13-E16 PolarHBondContact O-N 3.36Å; S13-E16 VanDerWaalsContact OG-CD 3.24Å; S13-E16 VanDerWaalsContact OG-CG 3.29Å; S13-E16 WeakPolarHBondContact OG-CG 3.42Å; S13-E16 PolarHBondContact OG-N 2.81Å; S13-E16 PolarHBondContact OG-OE2 2.68Å; S13-L17 VanDerWaalsContact O-CB 3.29Å; S13-L17 WeakPolarHBondContact O-CB 3.18Å; S13-L17 PolarHBondContact O-N 3.19Å
14L87.9Confident63.9Low3 Ų398 Ų982%0.01651%0.509CS..Hα-helixtrans-57.6-39.3173.9-77.9-176.5000112.8L17 F18 Y386 L417 A537 Y538 F544L14-L17 PolarHBondContact O-N 2.67Å; L14-F18 HydrophobicContact CD2-CE2 4.22Å; L14-F18 WeakPolarHBondContact O-CD2 3.39Å; L14-F18 PolarHBondContact O-N 3.02Å; L14-F18 VanDerWaalsContact O-N 3.12Å; L14-Y386 HydrophobicContact CB-CD2 4.34Å; L14-Y386 HydrophobicContact CB-CE2 3.64Å; L14-Y386 HydrophobicContact CD1-CD2 3.99Å; L14-Y386 HydrophobicContact CD1-CE2 3.71Å; L14-Y386 HydrophobicContact CD2-CD2 4.47Å; L14-Y386 HydrophobicContact CG-CE2 4.2Å; L14-L417 HydrophobicContact CD2-CD2 3.48Å; L14-L417 VanDerWaalsContact CD2-CD2 3.48Å; L14-A537 HydrophobicContact CD1-CB 3.56Å; L14-A537 HydrophobicContact CG-CB 4.16Å; L14-Y538 HydrophobicContact CD1-CD1 4.32Å; L14-Y538 HydrophobicContact CD1-CE1 4.32Å; L14-F544 HydrophobicContact CD2-CD2 4.02Å; L14-F544 HydrophobicContact CD2-CE1 3.97Å; L14-F544 HydrophobicContact CD2-CE2 3.46Å; L14-F544 VanDerWaalsContact CD2-CE2 3.46Å; L14-F544 HydrophobicContact CD2-CZ 3.42Å; L14-F544 VanDerWaalsContact CD2-CZ 3.42Å; L14-F544 HydrophobicContact CG-CD2 4.35Å; L14-F544 HydrophobicContact CG-CE2 3.62Å; L14-F544 HydrophobicContact CG-CZ 3.93Å
15D86.5Confident63.5Low75 Ų7595.8 Ų95.840%0.40151%0.508SS..Hα-helixtrans-66.8-43.4178.5-89.7-33.6000111.3S13 F18 Q19 Y386 K390S13-D15 VanDerWaalsContact C-N 3.26Å; S13-D15 PolarHBondContact O-N 3Å; D15-F18 CarbonylContact O-C 3.58Å; D15-F18 PolarHBondContact O-N 3.19Å; D15-Q19 WeakPolarHBondContact O-CA 3.33Å; D15-Q19 VanDerWaalsContact O-CB 3.28Å; D15-Q19 WeakPolarHBondContact O-CB 3.5Å; D15-Q19 WeakPolarHBondContact O-CG 3.48Å; D15-Q19 PolarHBondContact O-N 3.39Å; D15-Y386 VanDerWaalsContact CG-OH 3.25Å; D15-Y386 PolarHBondContact OD1-OH 3.1Å; D15-K390 IonicContact OD1-NZ 2.83Å; D15-K390 PolarHBondContact OD1-NZ 3.22Å; D15-K390 IonicContact OD2-NZ 2.73Å; D15-K390 PolarHBondContact OD2-NZ 3.11Å
16E89.1Confident63Low78 Ų7895.9 Ų95.936%0.36450%0.502SS..Hα-helixtrans-65.5-39.6175-68.4160.9144.900112.4L12 S13 F18 Q19 R543L12-E16 HydrophobicContact CB-CB 4.04Å; L12-E16 HydrophobicContact CD2-CB 4.12Å; S13-E16 VanDerWaalsContact CB-OE2 3.24Å; S13-E16 WeakPolarHBondContact CB-OE2 3.34Å; S13-E16 PolarHBondContact N-OE2 2.97Å; S13-E16 PolarHBondContact O-N 3.36Å; S13-E16 VanDerWaalsContact OG-CD 3.24Å; S13-E16 VanDerWaalsContact OG-CG 3.29Å; S13-E16 WeakPolarHBondContact OG-CG 3.42Å; S13-E16 PolarHBondContact OG-N 2.81Å; S13-E16 PolarHBondContact OG-OE2 2.68Å; E16-F18 VanDerWaalsContact C-N 3.3Å; E16-F18 PolarHBondContact O-N 3.32Å; E16-Q19 PolarHBondContact O-N 3.04Å; E16-R543 IonicContact OE2-NH2 3.4Å; E16-R543 PolarHBondContact OE2-NH2 3.1Å
17L86.6Confident62.6Low0 Ų093.7 Ų93.70%050%0.497CS..Hα-helixtrans-59.8-41.3178-177.465.7000111.7L12 S13 L14 F61 F544 K546L12-L17 HydrophobicContact CB-CB 4.39Å; L12-L17 HydrophobicContact CD1-CD1 4.11Å; S13-L17 VanDerWaalsContact O-CB 3.29Å; S13-L17 WeakPolarHBondContact O-CB 3.18Å; S13-L17 PolarHBondContact O-N 3.19Å; L14-L17 PolarHBondContact O-N 2.67Å; L17-F61 HydrophobicContact CD1-CB 3.97Å; L17-F61 HydrophobicContact CD2-CB 4.13Å; L17-F61 HydrophobicContact CD2-CD1 4.4Å; L17-F61 HydrophobicContact CD2-CD2 4.01Å; L17-F61 HydrophobicContact CD2-CG 3.92Å; L17-F544 HydrophobicContact CD1-CB 4.45Å; L17-F544 HydrophobicContact CD2-CB 3.81Å; L17-F544 HydrophobicContact CD2-CD1 4.15Å; L17-F544 HydrophobicContact CD2-CG 3.97Å; L17-K546 HydrophobicContact CD1-CG 3.63Å
18F85.3Confident61.6Low9 Ų993.8 Ų93.84%0.03950%0.503CS..THydrogen-bonded Turntrans-106.313.3-177.7-67.1-75.7000114.3L14 D15 E16 G20 F61 T383 Y386 L417L14-F18 HydrophobicContact CD2-CE2 4.22Å; L14-F18 WeakPolarHBondContact O-CD2 3.39Å; L14-F18 PolarHBondContact O-N 3.02Å; L14-F18 VanDerWaalsContact O-N 3.12Å; D15-F18 CarbonylContact O-C 3.58Å; D15-F18 PolarHBondContact O-N 3.19Å; E16-F18 VanDerWaalsContact C-N 3.3Å; E16-F18 PolarHBondContact O-N 3.32Å; F18-G20 PolarHBondContact O-N 2.97Å; F18-F61 HydrophobicContact CZ-CE1 4.41Å; F18-T383 HydrophobicContact CD1-CG2 4.26Å; F18-Y386 HydrophobicContact CB-CD1 3.6Å; F18-Y386 HydrophobicContact CB-CE1 3.68Å; F18-Y386 HydrophobicContact CD1-CD1 4.36Å; F18-Y386 AromaticContact CD2-CD1 3.4Å; F18-Y386 HydrophobicContact CD2-CD1 3.4Å; F18-Y386 VanDerWaalsContact CD2-CD1 3.4Å; F18-Y386 HydrophobicContact CD2-CD2 4.32Å; F18-Y386 AromaticContact CD2-CE1 3.89Å; F18-Y386 HydrophobicContact CD2-CE1 3.89Å; F18-Y386 AromaticContact CD2-CG 3.65Å; F18-Y386 HydrophobicContact CD2-CG 3.65Å; F18-Y386 HydrophobicContact CE2-CD1 4.18Å; F18-Y386 AromaticContact CE2-CG 3.97Å; F18-Y386 HydrophobicContact CE2-CG 3.97Å; F18-Y386 AromaticContact CG-CD1 3.52Å; F18-Y386 HydrophobicContact CG-CD1 3.52Å; F18-Y386 HydrophobicContact CG-CE1 4.05Å; F18-Y386 HydrophobicContact CG-CG 4.15Å; F18-L417 HydrophobicContact CE2-CD1 4.45Å; F18-L417 HydrophobicContact CE2-CD2 3.43Å; F18-L417 VanDerWaalsContact CE2-CD2 3.43Å; F18-L417 HydrophobicContact CZ-CD1 3.99Å; F18-L417 HydrophobicContact CZ-CD2 3.78Å
19Q73.1Confident60.6Low128 Ų12887.5 Ų87.560%0.59848%0.479SS*.  trans-62121.6178.3-107.7168.846.100109.7D15 E16D15-Q19 WeakPolarHBondContact O-CA 3.33Å; D15-Q19 VanDerWaalsContact O-CB 3.28Å; D15-Q19 WeakPolarHBondContact O-CB 3.5Å; D15-Q19 WeakPolarHBondContact O-CG 3.48Å; D15-Q19 PolarHBondContact O-N 3.39Å; E16-Q19 PolarHBondContact O-N 3.04Å
20G54.6Low59.5Low32 Ų3294.2 Ų94.233%0.3349%0.494SS..  trans-179124.4179.900000107.2F18 E22F18-G20 PolarHBondContact O-N 2.97Å; G20-E22 PolarHBondContact O-N 3.41Å
21H36Very low57.9Low162 Ų16290.8 Ų90.875%0.7549%0.485SS*.  trans-39.6131.6-173.2-83-82.3000111.8G23H21-G23 VanDerWaalsContact C-N 3.3Å; H21-G23 PolarHBondContact O-N 3.43Å
22E39Very low56Low183 Ų18393.7 Ų93.786%0.85550%0.495SS*.  trans-52.6103.7160.6-69.6-170.6155.200106.5G20 I24G20-E22 PolarHBondContact O-N 3.41Å; E22-I24 PolarHBondContact O-N 2.88Å
23G32.8Very low53.6Low63 Ų6396.1 Ų96.165%0.64951%0.508SS*.  trans-49.3119.3177.100000107.8H21 T25H21-G23 VanDerWaalsContact C-N 3.3Å; H21-G23 PolarHBondContact O-N 3.43Å; G23-T25 PolarHBondContact O-N 3.05Å
24I26.8Very low51.4Low127 Ų127103.1 Ų103.165%0.65154%0.536SS*.  trans-37.6111.2175.6-65.1162.5000107.3E22 Y26E22-I24 PolarHBondContact O-N 2.88Å; I24-Y26 HydrophobicContact CG2-CD2 4.21Å; I24-Y26 HydrophobicContact CG2-CE2 4.37Å; I24-Y26 HydrophobicContact CG2-CG 4.33Å; I24-Y26 PolarHBondContact O-N 3.38Å
25T29.4Very low49.2Very low129 Ų129112.3 Ų112.379%0.79157%0.57SS**  trans-65.3100.6159.812.70000104.1G23 N27G23-T25 PolarHBondContact O-N 3.05Å; T25-N27 VanDerWaalsContact C-N 3.3Å; T25-N27 PolarHBondContact O-N 2.98Å
26Y29.7Very low47.4Very low170 Ų170114.1 Ų114.167%0.66758%0.584SS**  trans-60.499.8170.4-80.6-89.2000106.7I24 N28I24-Y26 HydrophobicContact CG2-CD2 4.21Å; I24-Y26 HydrophobicContact CG2-CE2 4.37Å; I24-Y26 HydrophobicContact CG2-CG 4.33Å; I24-Y26 PolarHBondContact O-N 3.38Å; Y26-N28 PolarHBondContact O-N 3.48Å
27N33.9Very low45.4Very low141 Ų141117.4 Ų117.475%0.75460%0.603SS**  trans-62118157.7-88.4-22.1000105.6T25 S29T25-N27 VanDerWaalsContact C-N 3.3Å; T25-N27 PolarHBondContact O-N 2.98Å; N27-S29 VanDerWaalsContact C-N 3.33Å; N27-S29 PolarHBondContact O-N 3.01Å
28N32.9Very low43.5Very low172 Ų172121.3 Ų121.392%0.9263%0.63SS**SBendtrans-53.693.3178.6-74.5-37.5000110.6Y26Y26-N28 PolarHBondContact O-N 3.48Å
29S37.8Very low41.3Very low52 Ų52128 Ų12836%0.36467%0.666SS.*  trans-135.7116.2165.1118.40000106.7N27 A31 D32N27-S29 VanDerWaalsContact C-N 3.33Å; N27-S29 PolarHBondContact O-N 3.01Å; S29-A31 PolarHBondContact O-N 2.92Å; S29-A31 PolarHBondContact OG-N 2.96Å; S29-D32 PolarHBondContact O-N 2.82Å; S29-D32 PolarHBondContact OG-OD2 3.05Å
30W40.9Very low39.7Very low224 Ų224128 Ų12885%0.84868%0.675SS**Hα-helixtrans-58.4-12.1172.7-91.293.4000112.7
31A46.5Very low38.9Very low69 Ų69136.8 Ų136.857%0.5770%0.704SS**Hα-helixtrans-73.8-30.4178.500000112.9S29 K34S29-A31 PolarHBondContact O-N 2.92Å; S29-A31 PolarHBondContact OG-N 2.96Å; A31-K34 PolarHBondContact O-N 3.26Å
32D45.9Very low39Very low83 Ų83137.9 Ų137.944%0.44471%0.71SS.*Hα-helixtrans-76.8-27.9-177.1-66.1-53.4000112.8S29 K34 R35S29-D32 PolarHBondContact O-N 2.82Å; S29-D32 PolarHBondContact OG-OD2 3.05Å; D32-K34 VanDerWaalsContact C-N 3.33Å; D32-K34 PolarHBondContact O-N 3.23Å; D32-R35 PolarHBondContact O-N 2.75Å
33L41.1Very low39Very low98 Ų98138.2 Ų138.251%0.51371%0.711SS.*Hα-helixtrans-66.6-30174.8-102.5150.8000113.2
34K43.4Very low39Very low167 Ų167140.8 Ų140.873%0.72672%0.718SS**Hα-helixtrans-74-27.4176.3-78.7-173.1175.8-178.20113.1A31 D32A31-K34 PolarHBondContact O-N 3.26Å; D32-K34 VanDerWaalsContact C-N 3.33Å; D32-K34 PolarHBondContact O-N 3.23Å
35R42.5Very low39.3Very low197 Ų197144.3 Ų144.374%0.74373%0.729SS**Hα-helixtrans-72.8-36-178.8-135.5173.5-175.3177.50111.6D32 S38D32-R35 PolarHBondContact O-N 2.75Å; R35-S38 PolarHBondContact O-OG 2.94Å
36V48.6Very low39.3Very low113 Ų113145.8 Ų145.869%0.68573%0.731SS**Hα-helixtrans-74-28.8178.8-179.50000112.6
37L46.8Very low39.4Very low147 Ų147143.5 Ų143.577%0.7774%0.735SS**THydrogen-bonded Turntrans-83-5.9178.3-77.6161.7000114.4
38S45.8Very low39.1Very low81 Ų81145.8 Ų145.857%0.56674%0.739SS**THydrogen-bonded Turntrans-98.1-0-173.870.60000115.6R35 T40R35-S38 PolarHBondContact O-OG 2.94Å; S38-T40 PolarHBondContact O-N 2.9Å
39L39.1Very low38.8Very low150 Ų150141.4 Ų141.479%0.78572%0.72SS**SBendtrans-90.5104177.7-74.2166.4000110.6
40T40.1Very low38.4Very low129 Ų129143.4 Ų143.479%0.79173%0.732SS**  trans-54141.9177.235.10000113.8S38 Q42S38-T40 PolarHBondContact O-N 2.9Å; T40-Q42 PolarHBondContact O-N 3.07Å
41F37.5Very low37.9Very low215 Ų215140.3 Ų140.394%0.94373%0.727SS**THydrogen-bonded Turntrans-67.324.4-163.4-134.8-100.3000117.4
42Q39.3Very low37.4Very low185 Ų185142.5 Ų142.586%0.86473%0.728SS**THydrogen-bonded Turntrans-131.910.9-161.2-121.7166.1-1300117.8T40T40-Q42 PolarHBondContact O-N 3.07Å
43Q38.4Very low37.1Very low190 Ų190145 Ų14589%0.88874%0.739SS**  trans-139.17-180-104.3173.5-1.800117.7K45Q43-K45 PolarHBondContact O-N 2.92Å
44C33.3Very low37.8Very low118 Ų118144.2 Ų144.280%0.79773%0.732SS**  trans-85.294.2169.7-81.40000110.6L46C44-L46 PolarHBondContact O-N 3.01Å
45K32.3Very low38.9Very low201 Ų201139.9 Ų139.987%0.87472%0.723SS**  trans-56.296.2146.6-86.5179.6174.8177.80106.4Q43 T47Q43-K45 PolarHBondContact O-N 2.92Å; K45-T47 PolarHBondContact O-N 3.45Å
46L30.3Very low40.5Very low159 Ų159130.7 Ų130.783%0.83269%0.689SS**  trans-65.877.2167.7-84.6155.4000107.9C44 F48C44-L46 PolarHBondContact O-N 3.01Å; L46-F48 VanDerWaalsContact C-N 3.34Å; L46-F48 PolarHBondContact O-N 3.34Å; L46-F48 VanDerWaalsContact O-N 3.13Å
47T31.4Very low42.4Very low123 Ų123130.2 Ų130.276%0.75568%0.678SS**  trans-67105.5153.3-22.70000104.8K45 C49K45-T47 PolarHBondContact O-N 3.45Å; T47-C49 PolarHBondContact O-N 3.03Å
48F28.2Very low44.6Very low189 Ų189123.5 Ų123.583%0.82964%0.642SS**  trans-57.591.4171.2-156.8-94.5000107.2L46 P50L46-F48 VanDerWaalsContact C-N 3.34Å; L46-F48 PolarHBondContact O-N 3.34Å; L46-F48 VanDerWaalsContact O-N 3.13Å; F48-P50 VanDerWaalsContact O-CD 3.28Å; F48-P50 WeakPolarHBondContact O-CD 3.34Å
49C26Very low46.7Very low80 Ų80121.4 Ų121.454%0.54163%0.627SS.*  trans-83.1111.4172.8-166.20000106.3T47 Q51T47-C49 PolarHBondContact O-N 3.03Å; C49-Q51 PolarHBondContact O-N 3.22Å; C49-Q51 VanDerWaalsContact SG-CD 3.58Å
50P28.7Very low49.3Very low93 Ų93116 Ų11660%0.60460%0.599SS**  trans-77.756.5175.535.1-32.5000109.1F48 I52F48-P50 VanDerWaalsContact O-CD 3.28Å; F48-P50 WeakPolarHBondContact O-CD 3.34Å; P50-I52 PolarHBondContact O-N 3Å
51Q31.2Very low51.8Low159 Ų159109.9 Ų109.974%0.74356%0.562SS**  trans-87.259.5161.5-76.1172-11.800107.7C49 M53C49-Q51 PolarHBondContact O-N 3.22Å; C49-Q51 VanDerWaalsContact SG-CD 3.58Å; Q51-M53 PolarHBondContact O-N 3.42Å; Q51-M53 VanDerWaalsContact O-N 3.13Å
52I35.2Very low54.6Low116 Ų116103.1 Ų103.160%0.59554%0.535SS*.  trans-66.5112171.6-63.7175.5000105.9P50 H54P50-I52 PolarHBondContact O-N 3Å; I52-H54 PolarHBondContact O-CD2 2.9Å; I52-H54 VanDerWaalsContact O-CG 3.24Å; I52-H54 PolarHBondContact O-N 3.15Å; I52-H54 PolarHBondContact O-NE2 2.9Å
53M39.4Very low57.2Low135 Ų13595.2 Ų95.267%0.66550%0.498SS*.  trans-46.8105.2171.4-84.5-177.4-85.800109.9Q51 S55Q51-M53 PolarHBondContact O-N 3.42Å; Q51-M53 VanDerWaalsContact O-N 3.13Å; M53-S55 PolarHBondContact O-N 2.77Å; M53-S55 VanDerWaalsContact O-N 3.16Å
54H57Low59.9Low82 Ų8288.5 Ų88.538%0.3847%0.468SS..  trans-81.4101.6-172.9-65.4-76.3000110.5I52 K546I52-H54 PolarHBondContact O-CD2 2.9Å; I52-H54 VanDerWaalsContact O-CG 3.24Å; I52-H54 PolarHBondContact O-N 3.15Å; I52-H54 PolarHBondContact O-NE2 2.9Å; H54-K546 PolarHBondContact CD2-NZ 3.23Å; H54-K546 PolarHBondContact NE2-NZ 2.89Å
55S65.9Low62.8Low76 Ų7688 Ų8853%0.53146%0.463SS..  trans-74132.2156.158.60000108.6M53M53-S55 PolarHBondContact O-N 2.77Å; M53-S55 VanDerWaalsContact O-N 3.16Å
56S76.8Confident65.5Low4 Ų480.2 Ų80.23%0.02844%0.44CS..  trans-126.4130.2-178.3-55.90000111.8D60 G382 T383S56-D60 WeakPolarHBondContact CA-OD2 3.31Å; S56-G382 VanDerWaalsContact O-CA 3.28Å; S56-G382 WeakPolarHBondContact O-CA 3.37Å; S56-G382 PolarHBondContact O-N 3.05Å; S56-G382 VanDerWaalsContact O-N 3.09Å; S56-T383 PolarHBondContact N-OG1 3.19Å; S56-T383 PolarHBondContact O-N 3.09Å
57F88.1Confident68.3Low103 Ų10381.7 Ų81.745%0.45244%0.436SS..  trans-77.5170.3160.7-55.9-81.8000109.6S59 D60 F61 A380F57-S59 PolarHBondContact O-N 2.84Å; F57-D60 VanDerWaalsContact CD2-OD2 3.25Å; F57-D60 WeakPolarHBondContact CD2-OD2 3.42Å; F57-D60 PolarHBondContact N-OD2 3.23Å; F57-D60 PolarHBondContact O-N 3.43Å; F57-F61 WeakPolarHBondContact O-CD1 3.25Å; F57-F61 WeakPolarHBondContact O-CE1 3.3Å; F57-A380 HydrophobicContact CD1-CB 4.25Å; F57-A380 HydrophobicContact CE1-CB 4.14Å; F57-A380 HydrophobicContact CZ-CB 4.32Å
58F91.6Very high71.1Confident6 Ų679.3 Ų79.33%0.02642%0.418CS..G310 helixtrans-63.9-22175.8-61.6-57.6000113.1F61 Q381 V385 I405 H410 K413 A414 L417F58-F61 HydrophobicContact CD1-CZ 4.38Å; F58-Q381 HydrophobicContact CE2-CB 4.1Å; F58-Q381 HydrophobicContact CE2-CG 3.53Å; F58-Q381 HydrophobicContact CZ-CB 4.34Å; F58-Q381 HydrophobicContact CZ-CG 3.61Å; F58-V385 HydrophobicContact CZ-CG2 4.47Å; F58-I405 HydrophobicContact CD2-CD1 4.16Å; F58-I405 HydrophobicContact CE2-CD1 3.48Å; F58-I405 VanDerWaalsContact CE2-CD1 3.48Å; F58-I405 HydrophobicContact CZ-CD1 3.93Å; F58-H410 HydrophobicContact CB-CB 4.2Å; F58-H410 HydrophobicContact CD2-CB 4.03Å; F58-H410 HydrophobicContact CG-CB 4.24Å; F58-K413 HydrophobicContact CB-CD 4.31Å; F58-K413 HydrophobicContact CD1-CB 4.06Å; F58-K413 WeakPolarHBondContact O-CD 3.37Å; F58-K413 WeakPolarHBondContact O-CE 3.28Å; F58-K413 PolarHBondContact O-NZ 3.27Å; F58-A414 HydrophobicContact CE1-CB 3.76Å; F58-A414 HydrophobicContact CZ-CB 3.76Å; F58-L417 HydrophobicContact CD1-CD1 4.35Å; F58-L417 HydrophobicContact CE1-CD1 4.07Å
59S91.8Very high74.1Confident36 Ų3674.3 Ų74.325%0.25240%0.4SS..G310 helixtrans-74.9-23.9177.9480000113.6F57 F61 Q552F57-S59 PolarHBondContact O-N 2.84Å; S59-F61 VanDerWaalsContact C-N 3.28Å; S59-F61 PolarHBondContact O-N 2.7Å; S59-Q552 PolarHBondContact O-NE2 3.05Å
60D92.6Very high77.3Confident37 Ų3771.2 Ų71.220%0.19838%0.377CS..G310 helixtrans-82.8-2.5-167.2-58.8-27.4000114.4S56 F57 R547 Q552S56-D60 WeakPolarHBondContact CA-OD2 3.31Å; F57-D60 VanDerWaalsContact CD2-OD2 3.25Å; F57-D60 WeakPolarHBondContact CD2-OD2 3.42Å; F57-D60 PolarHBondContact N-OD2 3.23Å; F57-D60 PolarHBondContact O-N 3.43Å; D60-R547 PolarHBondContact O-N 2.92Å; D60-Q552 PolarHBondContact OD1-NE2 3.23Å; D60-Q552 VanDerWaalsContact OD1-NE2 3.1Å
61F93.5Very high80.4Confident0 Ų072.1 Ų72.10%038%0.377CS..EExtended strand (participates in β ladder)trans-145162.8177.166.4-87.2000110.9L17 F18 F57 F58 S59 K413 L417 F544 E545L17-F61 HydrophobicContact CD1-CB 3.97Å; L17-F61 HydrophobicContact CD2-CB 4.13Å; L17-F61 HydrophobicContact CD2-CD1 4.4Å; L17-F61 HydrophobicContact CD2-CD2 4.01Å; L17-F61 HydrophobicContact CD2-CG 3.92Å; F18-F61 HydrophobicContact CZ-CE1 4.41Å; F57-F61 WeakPolarHBondContact O-CD1 3.25Å; F57-F61 WeakPolarHBondContact O-CE1 3.3Å; F58-F61 HydrophobicContact CD1-CZ 4.38Å; S59-F61 VanDerWaalsContact C-N 3.28Å; S59-F61 PolarHBondContact O-N 2.7Å; F61-K413 HydrophobicContact CD2-CD 4.45Å; F61-K413 HydrophobicContact CE2-CB 3.98Å; F61-K413 HydrophobicContact CE2-CD 3.94Å; F61-K413 HydrophobicContact CE2-CG 3.84Å; F61-K413 HydrophobicContact CZ-CB 3.92Å; F61-K413 HydrophobicContact CZ-CD 4.11Å; F61-K413 HydrophobicContact CZ-CG 4.19Å; F61-K413 VanDerWaalsContact O-CE 3.32Å; F61-K413 WeakPolarHBondContact O-CE 3.29Å; F61-K413 PolarHBondContact O-NZ 2.85Å; F61-L417 HydrophobicContact CE1-CD1 4.14Å; F61-L417 HydrophobicContact CE2-CD2 4.19Å; F61-L417 HydrophobicContact CE2-CG 4.44Å; F61-L417 HydrophobicContact CZ-CD1 3.66Å; F61-L417 HydrophobicContact CZ-CD2 3.93Å; F61-L417 HydrophobicContact CZ-CG 3.89Å; F61-F544 AromaticContact CD2-CD1 3.91Å; F61-F544 HydrophobicContact CD2-CD1 3.91Å; F61-F544 HydrophobicContact CE2-CD1 4.12Å; F61-F544 HydrophobicContact CE2-CE1 4.36Å; F61-E545 CarbonylContact C-O 3.6Å; F61-E545 WeakPolarHBondContact CA-O 3.38Å; F61-E545 WeakPolarHBondContact CB-O 3.27Å
62I94.6Very high83.3Confident73 Ų7366.5 Ų66.537%0.37435%0.353SS..EExtended strand (participates in β ladder)trans-126.7157.6170.4-164.9154.6000109.4F544 E545 R547I62-F544 CarbonylContact O-C 3.55Å; I62-F544 VanDerWaalsContact O-CA 3.24Å; I62-F544 WeakPolarHBondContact O-CA 3.12Å; I62-E545 HydrophobicContact CG2-CB 3.82Å; I62-E545 PolarHBondContact N-O 3.1Å; I62-E545 PolarHBondContact O-N 3.5Å; I62-R547 HydrophobicContact CB-CG 4.25Å; I62-R547 HydrophobicContact CG2-CG 4.29Å
63I94.4Very high86.1Confident20 Ų2066.2 Ų66.210%0.10335%0.353CS..EExtended strand (participates in β ladder)trans-95.2129.3172.2-43.2178.9000106.1T412 K413 A416 V510 F544I63-T412 HydrophobicContact CD1-CG2 4.2Å; I63-K413 HydrophobicContact CD1-CG 4.26Å; I63-K413 HydrophobicContact CG1-CG 4.28Å; I63-A416 HydrophobicContact CD1-CB 3.55Å; I63-V510 HydrophobicContact CB-CG1 4.11Å; I63-V510 HydrophobicContact CG2-CB 4.4Å; I63-V510 HydrophobicContact CG2-CG1 3.68Å; I63-F544 HydrophobicContact CB-CD1 4.37Å; I63-F544 HydrophobicContact CB-CE1 4.37Å; I63-F544 HydrophobicContact CD1-CE1 4.28Å; I63-F544 HydrophobicContact CG1-CD1 3.97Å; I63-F544 HydrophobicContact CG1-CE1 3.76Å; I63-F544 HydrophobicContact CG2-CD1 4.35Å; I63-F544 HydrophobicContact CG2-CE1 4.12Å
64L94.8Very high88.5Confident48 Ų4865.3 Ų65.325%0.25135%0.347SS..PPolyproline II helixtrans-73.2146.1175.9-62.6-175.2000109.9R543 E545L64-R543 HydrophobicContact CB-CB 4.23Å; L64-R543 HydrophobicContact CD1-CB 3.87Å; L64-R543 HydrophobicContact CG-CB 4.33Å; L64-R543 PolarHBondContact N-O 3.2Å; L64-E545 HydrophobicContact CD2-CB 4.01Å; L64-E545 HydrophobicContact CG-CB 4.49Å
65P94.1Very high90.2Very high107 Ų10761.5 Ų61.570%0.69533%0.329SS*.PPolyproline II helixtrans-65.3152.1179.228.4-34.8000111.5D509P65-D509 WeakPolarHBondContact CA-O 3.4Å
66G89.4Confident91.5Very high38 Ų3861.4 Ų61.439%0.39232%0.323SS..  trans-110.3-172.8177.600000112.7D509G66-D509 PolarHBondContact N-O 2.87Å
67Y89.5Confident92.4Very high191 Ų19161.4 Ų61.475%0.74932%0.322SS*.  trans-81.5138.8170.7-177.2-105.7000110.8D69 G511Y67-D69 HydrophobicContact CD1-CB 4.36Å; Y67-D69 HydrophobicContact CE1-CB 3.79Å; Y67-G511 VanDerWaalsContact O-CA 3.26Å; Y67-G511 WeakPolarHBondContact O-CA 3.32Å
68I91.2Very high92.6Very high73 Ų7356.9 Ų56.937%0.37430%0.304SS..  trans-119.5115.4-176.6-48.2179.2000109.6Q508I68-Q508 HydrophobicContact CD1-CG 4.35Å; I68-Q508 WeakPolarHBondContact CD1-O 3.49Å; I68-Q508 WeakPolarHBondContact CG1-O 3.2Å; I68-Q508 HydrophobicContact CG2-CG 3.74Å
69D90.8Very high92.7Very high83 Ų8356.6 Ų56.644%0.44430%0.302SS..  trans-122.815.717665.9-27.6000113Y67 Y527Y67-D69 HydrophobicContact CD1-CB 4.36Å; Y67-D69 HydrophobicContact CE1-CB 3.79Å; D69-Y527 PolarHBondContact OD2-OH 3.24Å
70F92.1Very high92.9Very high15 Ų1555.3 Ų55.37%0.06629%0.293CS..SBendtrans-140.9162.7-175.260.8-96000113.2V75 Q508 A512 L513F70-V75 HydrophobicContact CD2-CG2 4.11Å; F70-V75 HydrophobicContact CE2-CG2 3.57Å; F70-Q508 HydrophobicContact CD2-CG 4.26Å; F70-Q508 HydrophobicContact CE2-CB 3.95Å; F70-Q508 HydrophobicContact CE2-CG 3.73Å; F70-Q508 HydrophobicContact CZ-CB 4.49Å; F70-Q508 HydrophobicContact CZ-CG 4.32Å; F70-Q508 PolarHBondContact O-NE2 2.95Å; F70-A512 WeakPolarHBondContact CZ-O 3.43Å; F70-L513 HydrophobicContact CB-CD2 3.69Å; F70-L513 HydrophobicContact CD1-CD1 4.34Å; F70-L513 HydrophobicContact CD1-CD2 3.59Å; F70-L513 HydrophobicContact CD1-CG 3.7Å; F70-L513 HydrophobicContact CD2-CD2 3.46Å; F70-L513 VanDerWaalsContact CD2-CD2 3.46Å; F70-L513 HydrophobicContact CD2-CG 4.31Å; F70-L513 HydrophobicContact CE1-CD2 4.04Å; F70-L513 HydrophobicContact CE1-CG 3.83Å; F70-L513 HydrophobicContact CE2-CD2 3.9Å; F70-L513 HydrophobicContact CE2-CG 4.4Å; F70-L513 HydrophobicContact CG-CD2 3.29Å; F70-L513 HydrophobicContact CG-CG 3.97Å; F70-L513 HydrophobicContact CZ-CD2 4.18Å; F70-L513 HydrophobicContact CZ-CG 4.19Å
71L93.8Very high93.1Very high113 Ų11353.5 Ų53.559%0.59228%0.283SS*.  trans-89.6150.7176.6-62.8176.5000111.6D73 Q74L71-D73 WeakPolarHBondContact CB-OD1 3.08Å; L71-D73 PolarHBondContact O-N 3.19Å; L71-D73 VanDerWaalsContact O-N 3.16Å; L71-Q74 HydrophobicContact CB-CG 4.42Å; L71-Q74 WeakPolarHBondContact O-CB 3.49Å; L71-Q74 PolarHBondContact O-N 2.85Å
72V93.5Very high93.3Very high41 Ų4153.5 Ų53.525%0.24828%0.283CS..G310 helixtrans-59.1-29.8-176.969.70000113.8Q74 V75 K504V72-Q74 VanDerWaalsContact C-N 3.27Å; V72-Q74 PolarHBondContact O-N 3.44Å; V72-V75 WeakPolarHBondContact O-CB 3.31Å; V72-V75 PolarHBondContact O-N 3.13Å; V72-K504 HydrophobicContact CG2-CB 3.63Å
73D92.7Very high93.3Very high110 Ų11054.7 Ų54.759%0.58829%0.286SS*.G310 helixtrans-68.5-28179.764.3-26.2000112.5L71 V75 K504L71-D73 WeakPolarHBondContact CB-OD1 3.08Å; L71-D73 PolarHBondContact O-N 3.19Å; L71-D73 VanDerWaalsContact O-N 3.16Å; D73-V75 PolarHBondContact O-N 3.22Å; D73-K504 PolarHBondContact O-NZ 2.89Å
74Q91.4Very high93.3Very high115 Ų11556.5 Ų56.554%0.53731%0.309SS..G310 helixtrans-71.7-14.9176.3-58.5178.2-59.900113.2L71 V72 D76 L513L71-Q74 HydrophobicContact CB-CG 4.42Å; L71-Q74 WeakPolarHBondContact O-CB 3.49Å; L71-Q74 PolarHBondContact O-N 2.85Å; V72-Q74 VanDerWaalsContact C-N 3.27Å; V72-Q74 PolarHBondContact O-N 3.44Å; Q74-D76 PolarHBondContact O-N 3.11Å; Q74-L513 HydrophobicContact CB-CD2 4.31Å
75V92Very high93.3Very high3 Ų355 Ų552%0.01830%0.302CS..  trans-69.3122178.6-179.30000111.1F70 V72 D73 L77 K504 L507 Q508 L513F70-V75 HydrophobicContact CD2-CG2 4.11Å; F70-V75 HydrophobicContact CE2-CG2 3.57Å; V72-V75 WeakPolarHBondContact O-CB 3.31Å; V72-V75 PolarHBondContact O-N 3.13Å; D73-V75 PolarHBondContact O-N 3.22Å; V75-L77 HydrophobicContact CG1-CD2 4.03Å; V75-K504 HydrophobicContact CB-CB 4.2Å; V75-K504 HydrophobicContact CB-CD 4.49Å; V75-K504 HydrophobicContact CB-CG 4.07Å; V75-K504 HydrophobicContact CG1-CB 4.3Å; V75-K504 HydrophobicContact CG1-CG 4.11Å; V75-K504 WeakPolarHBondContact O-CE 3.03Å; V75-K504 PolarHBondContact O-NZ 3.34Å; V75-L507 HydrophobicContact CG1-CB 3.9Å; V75-L507 HydrophobicContact CG1-CD1 3.8Å; V75-L507 HydrophobicContact CG1-CG 4.5Å; V75-Q508 HydrophobicContact CG2-CB 4.49Å; V75-L513 WeakPolarHBondContact CA-O 3.36Å
76D92.9Very high93.4Very high73 Ų7352.6 Ų52.639%0.3929%0.285SS..EExtended strand (participates in β ladder)trans-96.3119.8177.1-174.716.1000112Q74 S78 L513 S514 V515Q74-D76 PolarHBondContact O-N 3.11Å; D76-S78 WeakPolarHBondContact OD1-CB 3.39Å; D76-S78 PolarHBondContact OD1-N 3.41Å; D76-S78 PolarHBondContact OD1-OG 2.82Å; D76-S78 WeakPolarHBondContact OD2-CB 3.47Å; D76-S78 PolarHBondContact OD2-OG 3.32Å; D76-L513 PolarHBondContact N-O 3.03Å; D76-S514 VanDerWaalsContact O-CA 3.23Å; D76-S514 WeakPolarHBondContact O-CA 3.36Å; D76-S514 WeakPolarHBondContact O-CB 3.27Å; D76-V515 PolarHBondContact O-N 3.25Å
77L94.6Very high93.8Very high4 Ų450.8 Ų50.82%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-94.65.9177-59.4-166.8000113.4V75 S79 K88 I500 V503 K504 L507 V515V75-L77 HydrophobicContact CG1-CD2 4.03Å; L77-S79 PolarHBondContact O-N 3.35Å; L77-S79 PolarHBondContact O-OG 3.27Å; L77-K88 CarbonylContact C-O 3.46Å; L77-I500 HydrophobicContact CD1-CB 4.44Å; L77-I500 HydrophobicContact CD1-CG2 3.96Å; L77-V503 HydrophobicContact CD1-CB 4.22Å; L77-V503 HydrophobicContact CD1-CG1 4.16Å; L77-V503 HydrophobicContact CD2-CG1 3.86Å; L77-K504 HydrophobicContact CD1-CG 3.95Å; L77-K504 HydrophobicContact CD2-CG 4.1Å; L77-K504 HydrophobicContact CG-CG 3.92Å; L77-L507 HydrophobicContact CD2-CD1 3.53Å; L77-V515 HydrophobicContact CD2-CG2 4.1Å
78S94.2Very high94Very high8 Ų846.2 Ų46.26%0.05625%0.25CS..EExtended strand (participates in β ladder)trans-56.5123.7178.8-620000110.8D76 L87D76-S78 WeakPolarHBondContact OD1-CB 3.39Å; D76-S78 PolarHBondContact OD1-N 3.41Å; D76-S78 PolarHBondContact OD1-OG 2.82Å; D76-S78 WeakPolarHBondContact OD2-CB 3.47Å; D76-S78 PolarHBondContact OD2-OG 3.32Å; S78-L87 CarbonylContact C-O 3.57Å; S78-L87 VanDerWaalsContact CA-O 3.24Å; S78-L87 WeakPolarHBondContact CA-O 2.89Å
79S93.6Very high94.2Very high0 Ų042.7 Ų42.70%023%0.232CC..EExtended strand (participates in β ladder)trans-139.3137-166.7-64.90000111.7L77 L81 L87 S420L77-S79 PolarHBondContact O-N 3.35Å; L77-S79 PolarHBondContact O-OG 3.27Å; S79-L81 PolarHBondContact O-N 2.95Å; S79-L87 PolarHBondContact N-O 3.12Å; S79-L87 PolarHBondContact O-N 2.79Å; S79-S420 VanDerWaalsContact CB-O 3.22Å; S79-S420 WeakPolarHBondContact CB-O 3.13Å; S79-S420 PolarHBondContact OG-O 2.7Å
80N95.1Very high94.5Very high9 Ų938.8 Ų38.85%0.04821%0.211CC..EExtended strand (participates in β ladder)trans-72.1116.5175.5-70.690.7000110.4P398 S420 L518N80-P398 HydrophobicContact CB-CB 4.2Å; N80-P398 HydrophobicContact CB-CG 3.66Å; N80-P398 WeakPolarHBondContact O-CB 3.31Å; N80-S420 WeakPolarHBondContact O-CB 3.12Å; N80-L518 PolarHBondContact OD1-N 2.79Å
81L97.7Very high94.8Very high0 Ų038 Ų380%021%0.208CC..SBendtrans-76.4-45167.5176.869.5000110.3S79 V85 L87 V92 I114 V309 I339 A358 I400 T421S79-L81 PolarHBondContact O-N 2.95Å; L81-V85 HydrophobicContact CB-CB 4.47Å; L81-V85 HydrophobicContact CB-CG1 4.15Å; L81-V85 HydrophobicContact CD2-CG1 3.98Å; L81-V85 PolarHBondContact N-O 3.41Å; L81-L87 HydrophobicContact CB-CD1 4.01Å; L81-L87 HydrophobicContact CB-CG 3.98Å; L81-L87 HydrophobicContact CD1-CD1 4.25Å; L81-L87 HydrophobicContact CD2-CD1 4.32Å; L81-L87 HydrophobicContact CD2-CD2 4.49Å; L81-L87 HydrophobicContact CG-CD1 4.43Å; L81-V92 HydrophobicContact CD1-CG2 3.63Å; L81-I114 HydrophobicContact CD1-CG2 4.38Å; L81-I114 HydrophobicContact CD2-CD1 3.84Å; L81-I114 HydrophobicContact CD2-CG2 3.88Å; L81-V309 HydrophobicContact CD2-CG2 4.03Å; L81-I339 HydrophobicContact CD1-CD1 4.24Å; L81-I339 HydrophobicContact CG-CD1 4.36Å; L81-A358 VanDerWaalsContact O-CB 3.24Å; L81-A358 WeakPolarHBondContact O-CB 3.4Å; L81-I400 HydrophobicContact CD1-CD1 3.61Å; L81-I400 HydrophobicContact CD1-CG1 4.37Å; L81-T421 HydrophobicContact CD1-CG2 4.37Å
82T97.6Very high95Very high0 Ų032.7 Ų32.70%018%0.18CC..SBendtrans-135.9179.5174.775.60000109.6G84 V85 V309 Q337 I339 A358T82-G84 PolarHBondContact O-N 3.13Å; T82-G84 PolarHBondContact OG1-N 3.1Å; T82-V85 PolarHBondContact N-O 3.22Å; T82-V85 PolarHBondContact OG1-N 2.65Å; T82-V85 VanDerWaalsContact OG1-N 3.09Å; T82-V309 HydrophobicContact CG2-CG1 3.94Å; T82-Q337 HydrophobicContact CG2-CB 4.01Å; T82-Q337 WeakPolarHBondContact OG1-CG 3.43Å; T82-Q337 PolarHBondContact OG1-OE1 3.12Å; T82-I339 HydrophobicContact CG2-CG1 3.98Å; T82-A358 HydrophobicContact CG2-CB 3.93Å
83K94Very high95.3Very high98 Ų9830.7 Ų30.743%0.42617%0.168SC..SBendtrans-54.4-39.6172.8-75.4176.2178.4170.50113D357 R396 V397K83-D357 HydrophobicContact CB-CB 4.49Å; K83-D357 PolarHBondContact N-O 3.44Å; K83-D357 VanDerWaalsContact N-O 3.09Å; K83-R396 WeakPolarHBondContact CE-O 3.44Å; K83-R396 WeakPolarHBondContact CG-O 3.45Å; K83-V397 VanDerWaalsContact CE-CG2 3.44Å
84G94.3Very high95.5Very high57 Ų5725.7 Ų25.759%0.58814%0.141SC*.SBendtrans-99.4-15.6-177.200000115.9T82T82-G84 PolarHBondContact O-N 3.13Å; T82-G84 PolarHBondContact OG1-N 3.1Å
85V95.9Very high95.7Very high17 Ų1720.2 Ų20.210%0.10312%0.116CC..  trans-114.7124-175174.20000111.4L81 T82 L87 L284 V309 Q337L81-V85 HydrophobicContact CB-CB 4.47Å; L81-V85 HydrophobicContact CB-CG1 4.15Å; L81-V85 HydrophobicContact CD2-CG1 3.98Å; L81-V85 PolarHBondContact N-O 3.41Å; T82-V85 PolarHBondContact N-O 3.22Å; T82-V85 PolarHBondContact OG1-N 2.65Å; T82-V85 VanDerWaalsContact OG1-N 3.09Å; V85-L87 HydrophobicContact CG1-CD2 4.2Å; V85-L284 HydrophobicContact CG1-CD1 3.84Å; V85-V309 HydrophobicContact CB-CG2 4.44Å; V85-V309 HydrophobicContact CG2-CG2 3.96Å; V85-Q337 HydrophobicContact CG2-CG 3.93Å
86V95.6Very high95.9Very high57 Ų5720.7 Ų20.735%0.34512%0.118SC..EExtended strand (participates in β ladder)trans-113.4128.9175.8-179.30000109.2
87L96.9Very high95.9Very high0 Ų018.2 Ų18.20%011%0.105CC..EExtended strand (participates in β ladder)trans-98.5159.5173.7-55.9-179.3000110.2S78 S79 L81 V85 A89 V92 I114 L284 T421S78-L87 CarbonylContact C-O 3.57Å; S78-L87 VanDerWaalsContact CA-O 3.24Å; S78-L87 WeakPolarHBondContact CA-O 2.89Å; S79-L87 PolarHBondContact N-O 3.12Å; S79-L87 PolarHBondContact O-N 2.79Å; L81-L87 HydrophobicContact CB-CD1 4.01Å; L81-L87 HydrophobicContact CB-CG 3.98Å; L81-L87 HydrophobicContact CD1-CD1 4.25Å; L81-L87 HydrophobicContact CD2-CD1 4.32Å; L81-L87 HydrophobicContact CD2-CD2 4.49Å; L81-L87 HydrophobicContact CG-CD1 4.43Å; V85-L87 HydrophobicContact CG1-CD2 4.2Å; L87-A89 WeakPolarHBondContact CB-O 3.25Å; L87-V92 HydrophobicContact CD1-CG2 4.35Å; L87-I114 HydrophobicContact CD1-CB 4.15Å; L87-I114 HydrophobicContact CD1-CG2 3.74Å; L87-I114 HydrophobicContact CD2-CB 3.98Å; L87-I114 HydrophobicContact CD2-CG2 4.37Å; L87-L284 HydrophobicContact CD2-CD1 4.21Å; L87-T421 HydrophobicContact CD1-CG2 4.36Å
88K94.4Very high95.8Very high94 Ų9418.7 Ų18.741%0.40911%0.108SC..SBendtrans-87.4-20175.5-64.8-58.2-173176.10113.4L77 G112 L274L77-K88 CarbonylContact C-O 3.46Å; K88-G112 PolarHBondContact N-O 2.98Å; K88-L274 HydrophobicContact CB-CB 3.99Å; K88-L274 HydrophobicContact CB-CD2 4.42Å; K88-L274 VanDerWaalsContact CB-O 3.24Å; K88-L274 WeakPolarHBondContact CB-O 3.42Å; K88-L274 HydrophobicContact CG-CB 4.5Å; K88-L274 WeakPolarHBondContact CG-O 3.25Å
89A95.8Very high96Very high0 Ų018.3 Ų18.30%011%0.105CC..SBendtrans-134.4145.5170.900000109.3L87 F91 G112 I500L87-A89 WeakPolarHBondContact CB-O 3.25Å; A89-F91 HydrophobicContact CB-CD2 3.63Å; A89-F91 HydrophobicContact CB-CE2 4.06Å; A89-F91 PolarHBondContact O-N 3.23Å; A89-G112 PolarHBondContact N-O 2.77Å; A89-I500 HydrophobicContact CB-CD1 3.99Å; A89-I500 HydrophobicContact CB-CG1 3.98Å
90P96.8Very high96.2Very high0 Ų018.3 Ų18.30%011%0.105CC..SBendtrans-77.132.4-17431.9-37.3000113.2L415 T421 V422P90-L415 HydrophobicContact CB-CD1 4.3Å; P90-L415 HydrophobicContact CB-CD2 3.99Å; P90-L415 HydrophobicContact CG-CD1 3.85Å; P90-L415 HydrophobicContact CG-CD2 4.45Å; P90-T421 HydrophobicContact CB-CG2 4.45Å; P90-T421 WeakPolarHBondContact O-CA 3.29Å; P90-T421 WeakPolarHBondContact O-CB 3.27Å; P90-V422 WeakPolarHBondContact O-CG2 3.29Å; P90-V422 PolarHBondContact O-N 2.8Å
91F98.1Very high96.3Very high0 Ų020 Ų200%011%0.113CC..EExtended strand (participates in β ladder)trans-109.6124.1-170-60.1-51.2000112.2A89 M108 G113 I114 V411 V422 M424 V496 L499 I500 V503A89-F91 HydrophobicContact CB-CD2 3.63Å; A89-F91 HydrophobicContact CB-CE2 4.06Å; A89-F91 PolarHBondContact O-N 3.23Å; F91-M108 HydrophobicContact CB-CE 3.68Å; F91-G113 CarbonylContact O-C 3.43Å; F91-G113 WeakPolarHBondContact O-CA 3.42Å; F91-I114 PolarHBondContact O-N 2.88Å; F91-V411 HydrophobicContact CE1-CG1 3.93Å; F91-V411 HydrophobicContact CE1-CG2 4.39Å; F91-V422 HydrophobicContact CD1-CG2 3.84Å; F91-V422 HydrophobicContact CE1-CG2 4.22Å; F91-M424 HydrophobicContact CB-CE 3.7Å; F91-M424 HydrophobicContact CD1-CE 3.6Å; F91-M424 HydrophobicContact CD1-SD 3.97Å; F91-M424 HydrophobicContact CE1-CE 4.48Å; F91-M424 HydrophobicContact CE1-SD 4.44Å; F91-M424 HydrophobicContact CG-CE 3.84Å; F91-V496 HydrophobicContact CD2-CG1 4.01Å; F91-L499 HydrophobicContact CE1-CB 4.17Å; F91-L499 HydrophobicContact CE2-CB 3.85Å; F91-L499 HydrophobicContact CZ-CB 3.56Å; F91-I500 HydrophobicContact CD2-CG1 4.19Å; F91-I500 HydrophobicContact CE2-CB 4.48Å; F91-I500 HydrophobicContact CE2-CG1 3.61Å; F91-V503 HydrophobicContact CE1-CG2 4.4Å; F91-V503 HydrophobicContact CZ-CG2 3.95Å
92V98.6Very high96.3Very high0 Ų020.9 Ų20.90%012%0.119CC..EExtended strand (participates in β ladder)trans-123.8127178.5-173.20000108.9L81 L87 I114 I116 T421 V422 M423 M424L81-V92 HydrophobicContact CD1-CG2 3.63Å; L87-V92 HydrophobicContact CD1-CG2 4.35Å; V92-I114 WeakPolarHBondContact CA-O 3.26Å; V92-I114 HydrophobicContact CB-CG2 4.31Å; V92-I114 HydrophobicContact CG1-CG2 3.92Å; V92-I114 HydrophobicContact CG2-CG2 4Å; V92-I116 HydrophobicContact CG1-CD1 4.04Å; V92-I116 HydrophobicContact CG1-CG1 3.59Å; V92-T421 HydrophobicContact CG2-CG2 4.47Å; V92-V422 PolarHBondContact N-O 2.89Å; V92-M423 HydrophobicContact CB-CB 4.39Å; V92-M423 HydrophobicContact CG1-CE 3.69Å; V92-M423 CarbonylContact O-C 3.55Å; V92-M423 VanDerWaalsContact O-CA 3.27Å; V92-M423 WeakPolarHBondContact O-CA 3.37Å; V92-M424 PolarHBondContact O-N 3.16Å
93S98.4Very high96.2Very high0 Ų022.4 Ų22.40%014%0.135CC..EExtended strand (participates in β ladder)trans-81.1139.2172.473.50000111.1T100 I114 G115 I116 L428S93-T100 VanDerWaalsContact CB-OG1 3.24Å; S93-T100 WeakPolarHBondContact CB-OG1 3.48Å; S93-T100 WeakPolarHBondContact OG-CG2 3.17Å; S93-T100 PolarHBondContact OG-OG1 2.86Å; S93-I114 PolarHBondContact N-O 2.8Å; S93-G115 WeakPolarHBondContact OG-CA 3.47Å; S93-I116 PolarHBondContact O-N 2.91Å; S93-L428 VanDerWaalsContact CB-CD1 3.48Å
94S97.5Very high96.5Very high4 Ų417.8 Ų17.83%0.02812%0.115CC..  trans-72.4142.6-173.7-168.40000112.6M96 T100 M424S94-M96 PolarHBondContact O-N 2.83Å; S94-T100 WeakPolarHBondContact O-CB 3.42Å; S94-T100 PolarHBondContact O-OG1 3.01Å; S94-M424 WeakPolarHBondContact CB-O 3.36Å; S94-M424 PolarHBondContact N-O 2.88Å
95P96.8Very high96.7Very high1 Ų115 Ų151%0.0069%0.087CC..SBendtrans-75.872.8178.731.9-35.6000112.2I116 A288 M423P95-I116 WeakPolarHBondContact CA-O 3.37Å; P95-I116 HydrophobicContact CB-CB 4.12Å; P95-I116 HydrophobicContact CB-CG2 3.81Å; P95-I116 HydrophobicContact CG-CB 4.47Å; P95-I116 HydrophobicContact CG-CG2 4.18Å; P95-A288 HydrophobicContact CB-CB 3.59Å; P95-A288 HydrophobicContact CG-CB 4.19Å; P95-M423 VanDerWaalsContact CD-SD 3.56Å
96M94.7Very high96.7Very high13 Ų1316 Ų166%0.0649%0.091CC..  trans-128145.3176.8-61.9-172.9-67.100110.4S94 T98 V99 T100 I368 Y449 M452S94-M96 PolarHBondContact O-N 2.83Å; M96-T98 PolarHBondContact O-N 3.35Å; M96-T98 VanDerWaalsContact O-N 3.1Å; M96-V99 HydrophobicContact CB-CB 4.36Å; M96-V99 HydrophobicContact CB-CG2 4.26Å; M96-V99 HydrophobicContact CE-CG2 3.68Å; M96-V99 PolarHBondContact O-N 2.88Å; M96-T100 PolarHBondContact O-N 3.12Å; M96-I368 HydrophobicContact SD-CD1 3.9Å; M96-Y449 HydrophobicContact CE-CE2 3.58Å; M96-Y449 WeakPolarHBondContact CE-OH 3.49Å; M96-Y449 HydrophobicContact SD-CE2 4.43Å; M96-M452 HydrophobicContact CB-SD 4.21Å; M96-M452 HydrophobicContact CG-CG 4.21Å; M96-M452 HydrophobicContact CG-SD 4.28Å
97D92.7Very high96.8Very high20 Ų2013.4 Ų13.411%0.1078%0.075CC..THydrogen-bonded Turntrans-67.5-5.5-179.263.74.3000114.2N120 P435 R450D97-N120 PolarHBondContact OD2-ND2 2.81Å; D97-N120 VanDerWaalsContact OD2-ND2 3.07Å; D97-P435 WeakPolarHBondContact O-CG 3.37Å; D97-R450 IonicContact OD1-NE 3.67Å; D97-R450 PolarHBondContact OD1-NE 3.28Å; D97-R450 IonicContact OD2-CZ 2.76Å; D97-R450 IonicContact OD2-NE 3.62Å; D97-R450 PolarHBondContact OD2-NE 3.26Å; D97-R450 VanDerWaalsContact OD2-NE 3.11Å; D97-R450 IonicContact OD2-NH2 3.49Å; D97-R450 PolarHBondContact OD2-NH2 3.2Å
98T94Very high96.9Very high14 Ų1413.4 Ų13.49%0.0868%0.075CC..THydrogen-bonded Turntrans-112.210.1173.647.30000112.8M96 K448 Y449 R450M96-T98 PolarHBondContact O-N 3.35Å; M96-T98 VanDerWaalsContact O-N 3.1Å; T98-K448 WeakPolarHBondContact CG2-O 3.42Å; T98-Y449 WeakPolarHBondContact OG1-CD2 3.1Å; T98-R450 HydrophobicContact CG2-CG 3.9Å; T98-R450 PolarHBondContact OG1-N 3.23Å; T98-R450 PolarHBondContact OG1-O 3.47Å
99V97.1Very high97.1Very high0 Ų08.9 Ų8.90%06%0.055CC..THydrogen-bonded Turntrans-133.8-53.8180-177.10000112.6M96 M104 L428 A429 P435 Y449M96-V99 HydrophobicContact CB-CB 4.36Å; M96-V99 HydrophobicContact CB-CG2 4.26Å; M96-V99 HydrophobicContact CE-CG2 3.68Å; M96-V99 PolarHBondContact O-N 2.88Å; V99-M104 VanDerWaalsContact O-CB 3.25Å; V99-M104 WeakPolarHBondContact O-CB 3.35Å; V99-M104 VanDerWaalsContact O-CG 3.29Å; V99-M104 WeakPolarHBondContact O-CG 3.34Å; V99-L428 HydrophobicContact CG1-CB 4Å; V99-A429 HydrophobicContact CG2-CB 4.05Å; V99-P435 VanDerWaalsContact O-CD 3.25Å; V99-P435 WeakPolarHBondContact O-CD 3.42Å; V99-Y449 HydrophobicContact CG2-CD2 4.33Å; V99-Y449 HydrophobicContact CG2-CE2 3.91Å
100T98.3Very high97.1Very high0 Ų09.3 Ų9.30%06%0.058CC..  trans-12698.9-165.5-47.90000114.5S93 S94 M96 M104 A105 I116 H118S93-T100 VanDerWaalsContact CB-OG1 3.24Å; S93-T100 WeakPolarHBondContact CB-OG1 3.48Å; S93-T100 WeakPolarHBondContact OG-CG2 3.17Å; S93-T100 PolarHBondContact OG-OG1 2.86Å; S94-T100 WeakPolarHBondContact O-CB 3.42Å; S94-T100 PolarHBondContact O-OG1 3.01Å; M96-T100 PolarHBondContact O-N 3.12Å; T100-M104 HydrophobicContact CG2-CB 4.31Å; T100-M104 HydrophobicContact CG2-CG 4.12Å; T100-A105 HydrophobicContact CG2-CB 4.28Å; T100-I116 VanDerWaalsContact CB-O 3.25Å; T100-I116 WeakPolarHBondContact CB-O 3.4Å; T100-I116 VanDerWaalsContact CG2-O 3.23Å; T100-I116 WeakPolarHBondContact CG2-O 3.47Å; T100-H118 PolarHBondContact O-CD2 3.22Å; T100-H118 PolarHBondContact O-N 3.47Å
101E97.8Very high97.1Very high46 Ų469.7 Ų9.722%0.2156%0.06CC..SBendtrans-111.5-167.2156-73.3-167.7141.600109.7G103 M104 A105 H118 Y125 E129 P435E101-G103 VanDerWaalsContact C-N 3.29Å; E101-G103 PolarHBondContact O-N 3.09Å; E101-M104 PolarHBondContact O-N 3.41Å; E101-A105 WeakPolarHBondContact O-CB 3.5Å; E101-A105 PolarHBondContact O-N 3.41Å; E101-H118 IonicContact OE1-NE2 3.34Å; E101-Y125 WeakPolarHBondContact OE1-CE1 3.36Å; E101-Y125 PolarHBondContact OE1-OH 3.01Å; E101-E129 WeakPolarHBondContact CB-OE2 3.47Å; E101-P435 HydrophobicContact CG-CB 4.06Å; E101-P435 HydrophobicContact CG-CG 4.2Å
102S97.4Very high97Very high18 Ų189.7 Ų9.713%0.1266%0.06CC..Hα-helixtrans-57.3-36.9-178.355.60000113.6A105 I106 E129S102-A105 PolarHBondContact O-N 3.34Å; S102-I106 WeakPolarHBondContact O-CB 3.14Å; S102-I106 WeakPolarHBondContact O-CD1 3.47Å; S102-I106 WeakPolarHBondContact O-CG1 3.47Å; S102-I106 PolarHBondContact O-N 2.8Å; S102-E129 WeakPolarHBondContact CA-OE2 3.47Å; S102-E129 WeakPolarHBondContact CB-OE2 3.41Å; S102-E129 PolarHBondContact N-OE2 3.36Å; S102-E129 PolarHBondContact OG-OE2 2.98Å
103G96.4Very high97Very high32 Ų329.7 Ų9.733%0.336%0.06SC..Hα-helixtrans-57.2-55.6177.700000112.8E101 A107E101-G103 VanDerWaalsContact C-N 3.29Å; E101-G103 PolarHBondContact O-N 3.09Å; G103-A107 PolarHBondContact O-N 2.88Å; G103-A107 VanDerWaalsContact O-N 3.09Å
104M98.4Very high97Very high0 Ų09.7 Ų9.70%06%0.06CC..Hα-helixtrans-60.3-46.5173.9177.562.765.900111.7V99 T100 E101 I106 A107 M108 L428 T431 E433 A434 V492V99-M104 VanDerWaalsContact O-CB 3.25Å; V99-M104 WeakPolarHBondContact O-CB 3.35Å; V99-M104 VanDerWaalsContact O-CG 3.29Å; V99-M104 WeakPolarHBondContact O-CG 3.34Å; T100-M104 HydrophobicContact CG2-CB 4.31Å; T100-M104 HydrophobicContact CG2-CG 4.12Å; E101-M104 PolarHBondContact O-N 3.41Å; M104-I106 VanDerWaalsContact C-N 3.34Å; M104-I106 PolarHBondContact O-N 2.91Å; M104-A107 PolarHBondContact O-N 3.48Å; M104-M108 HydrophobicContact CG-CG 4.12Å; M104-M108 WeakPolarHBondContact O-CB 3.36Å; M104-M108 VanDerWaalsContact O-CG 3.27Å; M104-M108 WeakPolarHBondContact O-CG 3.45Å; M104-M108 PolarHBondContact O-N 3.07Å; M104-M108 HydrophobicContact SD-CG 3.67Å; M104-M108 HydrophobicContact SD-SD 4.17Å; M104-L428 HydrophobicContact CE-CB 3.87Å; M104-L428 HydrophobicContact SD-CB 4.36Å; M104-L428 HydrophobicContact SD-CD1 4.03Å; M104-T431 VanDerWaalsContact CE-OG1 3.24Å; M104-T431 WeakPolarHBondContact CE-OG1 3.29Å; M104-E433 HydrophobicContact CE-CB 4.46Å; M104-E433 PolarHBondContact N-O 2.96Å; M104-A434 HydrophobicContact CE-CB 4.03Å; M104-V492 HydrophobicContact CE-CG2 3.73Å; M104-V492 HydrophobicContact SD-CG2 3.79Å
105A98.5Very high97Very high0 Ų09.5 Ų9.50%06%0.059CC..Hα-helixtrans-62.2-40.4-177.500000112.6T100 E101 S102 A109 I117 V133 V285T100-A105 HydrophobicContact CG2-CB 4.28Å; E101-A105 WeakPolarHBondContact O-CB 3.5Å; E101-A105 PolarHBondContact O-N 3.41Å; S102-A105 PolarHBondContact O-N 3.34Å; A105-A109 VanDerWaalsContact O-CB 3.29Å; A105-A109 WeakPolarHBondContact O-CB 3.25Å; A105-A109 PolarHBondContact O-N 3.43Å; A105-I117 HydrophobicContact CB-CG1 4.34Å; A105-V133 HydrophobicContact CB-CG1 4.48Å; A105-V133 HydrophobicContact CB-CG2 3.67Å; A105-V285 HydrophobicContact CB-CG2 4.36Å
106I97.6Very high97.1Very high38 Ų389.4 Ų9.420%0.1956%0.058CC..Hα-helixtrans-62.2-49.3173.2-70.8162.3000110.3S102 M104 A109 L110 V133 A136 L283S102-I106 WeakPolarHBondContact O-CB 3.14Å; S102-I106 WeakPolarHBondContact O-CD1 3.47Å; S102-I106 WeakPolarHBondContact O-CG1 3.47Å; S102-I106 PolarHBondContact O-N 2.8Å; M104-I106 VanDerWaalsContact C-N 3.34Å; M104-I106 PolarHBondContact O-N 2.91Å; I106-A109 PolarHBondContact O-N 3.22Å; I106-L110 HydrophobicContact CG2-CD1 3.73Å; I106-L110 HydrophobicContact CG2-CG 4.35Å; I106-L110 WeakPolarHBondContact O-CB 3.23Å; I106-L110 VanDerWaalsContact O-CG 3.25Å; I106-L110 WeakPolarHBondContact O-CG 3.39Å; I106-L110 PolarHBondContact O-N 3.5Å; I106-V133 HydrophobicContact CG1-CB 4.21Å; I106-V133 HydrophobicContact CG1-CG1 4.06Å; I106-V133 HydrophobicContact CG1-CG2 4.07Å; I106-A136 HydrophobicContact CD1-CB 3.61Å; I106-A136 HydrophobicContact CG1-CB 3.67Å; I106-A136 HydrophobicContact CG2-CB 4.09Å; I106-L283 HydrophobicContact CB-CD1 4.41Å; I106-L283 HydrophobicContact CG1-CD1 4.41Å; I106-L283 HydrophobicContact CG2-CD1 4.04Å
107A97.4Very high97.3Very high1 Ų18.9 Ų8.91%0.0086%0.056CC..Hα-helixtrans-63.6-44.2-177.200000112.2G103 M104 L110 C111 E433 V492G103-A107 PolarHBondContact O-N 2.88Å; G103-A107 VanDerWaalsContact O-N 3.09Å; M104-A107 PolarHBondContact O-N 3.48Å; A107-L110 PolarHBondContact O-N 2.89Å; A107-C111 WeakPolarHBondContact O-CB 3.2Å; A107-C111 PolarHBondContact O-N 3.22Å; A107-C111 PolarHBondContact O-SG 3.05Å; A107-E433 HydrophobicContact CB-CB 4.4Å; A107-E433 HydrophobicContact CB-CG 3.91Å; A107-V492 HydrophobicContact CB-CB 4.06Å; A107-V492 HydrophobicContact CB-CG1 3.82Å
108M98.4Very high97.5Very high0 Ų08.2 Ų8.20%05%0.052CC..Hα-helixtrans-61.6-47.6176-71-63.3-65.300112F91 M104 L110 C111 G112 G113 M424 L428 V492 V496F91-M108 HydrophobicContact CB-CE 3.68Å; M104-M108 HydrophobicContact CG-CG 4.12Å; M104-M108 WeakPolarHBondContact O-CB 3.36Å; M104-M108 VanDerWaalsContact O-CG 3.27Å; M104-M108 WeakPolarHBondContact O-CG 3.45Å; M104-M108 PolarHBondContact O-N 3.07Å; M104-M108 HydrophobicContact SD-CG 3.67Å; M104-M108 HydrophobicContact SD-SD 4.17Å; M108-L110 PolarHBondContact O-N 2.92Å; M108-C111 CarbonylContact O-C 3.59Å; M108-C111 PolarHBondContact O-N 2.8Å; M108-G112 PolarHBondContact O-N 3.04Å; M108-G112 VanDerWaalsContact O-N 3.14Å; M108-G113 CarbonylContact O-C 3.47Å; M108-G113 WeakPolarHBondContact O-CA 3.17Å; M108-G113 PolarHBondContact O-N 3.36Å; M108-M424 HydrophobicContact CE-CE 4.23Å; M108-L428 HydrophobicContact CE-CD1 4.15Å; M108-L428 HydrophobicContact SD-CD1 3.85Å; M108-L428 HydrophobicContact SD-CD2 4.37Å; M108-V492 HydrophobicContact SD-CG1 3.99Å; M108-V496 HydrophobicContact SD-CG2 3.84Å
109A97.8Very high97.5Very high0 Ų08 Ų80%05%0.051CC..Hα-helixtrans-63.9-39.6178.700000112A105 I106 G112 G113 C275 S276 L283A105-A109 VanDerWaalsContact O-CB 3.29Å; A105-A109 WeakPolarHBondContact O-CB 3.25Å; A105-A109 PolarHBondContact O-N 3.43Å; I106-A109 PolarHBondContact O-N 3.22Å; A109-G112 PolarHBondContact O-N 3.31Å; A109-G113 WeakPolarHBondContact CA-O 3.42Å; A109-C275 CarbonylContact O-C 3.49Å; A109-C275 WeakPolarHBondContact O-CA 3.23Å; A109-S276 PolarHBondContact O-N 3.42Å; A109-L283 HydrophobicContact CB-CB 3.93Å; A109-L283 HydrophobicContact CB-CD1 4.26Å; A109-L283 HydrophobicContact CB-CD2 4.09Å; A109-L283 HydrophobicContact CB-CG 4.29Å
110L96.4Very high97.2Very high9 Ų99.1 Ų9.15%0.0476%0.057CC..Hα-helixtrans-61.5-43.7173.4-73.7170.4000111.6I106 A107 M108 G112 K268 Y272 C275 L283I106-L110 HydrophobicContact CG2-CD1 3.73Å; I106-L110 HydrophobicContact CG2-CG 4.35Å; I106-L110 WeakPolarHBondContact O-CB 3.23Å; I106-L110 VanDerWaalsContact O-CG 3.25Å; I106-L110 WeakPolarHBondContact O-CG 3.39Å; I106-L110 PolarHBondContact O-N 3.5Å; A107-L110 PolarHBondContact O-N 2.89Å; M108-L110 PolarHBondContact O-N 2.92Å; L110-G112 PolarHBondContact O-N 3.15Å; L110-K268 HydrophobicContact CD2-CB 4.4Å; L110-K268 HydrophobicContact CD2-CD 4.48Å; L110-Y272 HydrophobicContact CB-CD1 3.98Å; L110-Y272 HydrophobicContact CB-CD2 4.26Å; L110-Y272 HydrophobicContact CB-CE1 4.34Å; L110-Y272 HydrophobicContact CB-CG 3.93Å; L110-Y272 HydrophobicContact CD1-CD2 4.43Å; L110-Y272 HydrophobicContact CD1-CE2 4.27Å; L110-Y272 HydrophobicContact CD2-CD2 3.99Å; L110-Y272 HydrophobicContact CD2-CG 4.25Å; L110-Y272 HydrophobicContact CG-CD2 4.46Å; L110-Y272 WeakPolarHBondContact O-CB 3.17Å; L110-C275 VanDerWaalsContact O-CA 3.3Å; L110-C275 WeakPolarHBondContact O-CA 3.37Å; L110-C275 WeakPolarHBondContact O-CB 3.43Å; L110-L283 HydrophobicContact CD2-CD1 4.33Å; L110-L283 HydrophobicContact CD2-CD2 4.01Å; L110-L283 HydrophobicContact CG-CD1 4.14Å; L110-L283 HydrophobicContact CG-CD2 4.35Å
111C96.4Very high96.9Very high7 Ų710.4 Ų10.45%0.0477%0.065CC..THydrogen-bonded Turntrans-75.60.9178.2-67.90000114.3A107 M108 V496 I500A107-C111 WeakPolarHBondContact O-CB 3.2Å; A107-C111 PolarHBondContact O-N 3.22Å; A107-C111 PolarHBondContact O-SG 3.05Å; M108-C111 CarbonylContact O-C 3.59Å; M108-C111 PolarHBondContact O-N 2.8Å; C111-V496 HydrophobicContact CB-CB 3.97Å; C111-V496 HydrophobicContact CB-CG1 3.56Å; C111-I500 WeakPolarHBondContact O-CD1 3.44Å
112G96.6Very high96.6Very high0 Ų010.7 Ų10.70%08%0.076CC..THydrogen-bonded Turntrans944.9174.800000116K88 A89 M108 A109 L110 L274 S276K88-G112 PolarHBondContact N-O 2.98Å; A89-G112 PolarHBondContact N-O 2.77Å; M108-G112 PolarHBondContact O-N 3.04Å; M108-G112 VanDerWaalsContact O-N 3.14Å; A109-G112 PolarHBondContact O-N 3.31Å; L110-G112 PolarHBondContact O-N 3.15Å; G112-L274 WeakPolarHBondContact CA-O 3.49Å; G112-S276 WeakPolarHBondContact CA-OG 3.35Å; G112-S276 PolarHBondContact O-OG 2.81Å
113G98.1Very high96.5Very high0 Ų011.8 Ų11.80%08%0.083CC..SBendtrans-91.5-15116600000112F91 M108 A109 S276F91-G113 CarbonylContact O-C 3.43Å; F91-G113 WeakPolarHBondContact O-CA 3.42Å; M108-G113 CarbonylContact O-C 3.47Å; M108-G113 WeakPolarHBondContact O-CA 3.17Å; M108-G113 PolarHBondContact O-N 3.36Å; A109-G113 WeakPolarHBondContact CA-O 3.42Å; G113-S276 WeakPolarHBondContact O-CB 3.49Å; G113-S276 PolarHBondContact O-OG 3.45Å
114I98.7Very high96.5Very high0 Ų015 Ų150%010%0.096CC..EExtended strand (participates in β ladder)trans-149.6153.1170.9-164.3171.4000109.7L81 L87 F91 V92 S93 I116 L284 V309L81-I114 HydrophobicContact CD1-CG2 4.38Å; L81-I114 HydrophobicContact CD2-CD1 3.84Å; L81-I114 HydrophobicContact CD2-CG2 3.88Å; L87-I114 HydrophobicContact CD1-CB 4.15Å; L87-I114 HydrophobicContact CD1-CG2 3.74Å; L87-I114 HydrophobicContact CD2-CB 3.98Å; L87-I114 HydrophobicContact CD2-CG2 4.37Å; F91-I114 PolarHBondContact O-N 2.88Å; V92-I114 WeakPolarHBondContact CA-O 3.26Å; V92-I114 HydrophobicContact CB-CG2 4.31Å; V92-I114 HydrophobicContact CG1-CG2 3.92Å; V92-I114 HydrophobicContact CG2-CG2 4Å; S93-I114 PolarHBondContact N-O 2.8Å; I114-I116 HydrophobicContact CG2-CD1 4.37Å; I114-L284 HydrophobicContact CD1-CB 4Å; I114-L284 HydrophobicContact CG1-CB 4.37Å; I114-V309 HydrophobicContact CD1-CG2 4.43Å
115G98.7Very high96.4Very high0 Ų019.7 Ų19.70%011%0.114CC..EExtended strand (participates in β ladder)trans-108.2141.4167.500000113S93 G286S93-G115 WeakPolarHBondContact OG-CA 3.47Å; G115-G286 PolarHBondContact O-N 3.15Å
116I98.8Very high96.4Very high0 Ų019.7 Ų19.70%011%0.114CC..EExtended strand (participates in β ladder)trans-104.3107.4172.4-46.1-57.6000109V92 S93 P95 T100 I114 H118 G286 A288 A311 I339 M423V92-I116 HydrophobicContact CG1-CD1 4.04Å; V92-I116 HydrophobicContact CG1-CG1 3.59Å; S93-I116 PolarHBondContact O-N 2.91Å; P95-I116 WeakPolarHBondContact CA-O 3.37Å; P95-I116 HydrophobicContact CB-CB 4.12Å; P95-I116 HydrophobicContact CB-CG2 3.81Å; P95-I116 HydrophobicContact CG-CB 4.47Å; P95-I116 HydrophobicContact CG-CG2 4.18Å; T100-I116 VanDerWaalsContact CB-O 3.25Å; T100-I116 WeakPolarHBondContact CB-O 3.4Å; T100-I116 VanDerWaalsContact CG2-O 3.23Å; T100-I116 WeakPolarHBondContact CG2-O 3.47Å; I114-I116 HydrophobicContact CG2-CD1 4.37Å; I116-H118 PolarHBondContact O-N 3.04Å; I116-G286 CarbonylContact C-O 3.53Å; I116-G286 WeakPolarHBondContact CA-O 3.36Å; I116-A288 HydrophobicContact CG2-CB 4.32Å; I116-A311 HydrophobicContact CG2-CB 3.91Å; I116-I339 HydrophobicContact CD1-CD1 4.48Å; I116-M423 HydrophobicContact CG1-CE 4.05Å
117I98.5Very high96.4Very high1 Ų118.4 Ų18.41%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-67.6130.4-179.1-63.7166.1000109.9A105 Q126 E129 V130 V133 V285 G286 A288A105-I117 HydrophobicContact CB-CG1 4.34Å; I117-Q126 HydrophobicContact CG2-CG 3.8Å; I117-Q126 PolarHBondContact O-NE2 2.65Å; I117-E129 HydrophobicContact CD1-CB 3.89Å; I117-E129 HydrophobicContact CG2-CB 4.09Å; I117-V130 HydrophobicContact CD1-CB 4.39Å; I117-V130 HydrophobicContact CD1-CG2 3.7Å; I117-V133 HydrophobicContact CD1-CG2 4.21Å; I117-V285 HydrophobicContact CD1-CG2 3.7Å; I117-V285 HydrophobicContact CG1-CG2 4.31Å; I117-G286 PolarHBondContact N-O 2.67Å; I117-A288 PolarHBondContact O-N 2.92Å
118H96.3Very high96.3Very high6 Ų622.3 Ų22.33%0.02813%0.127CC..  trans-64.5159.3179.973.796.1000112.8T100 E101 I116 N120 Q126T100-H118 PolarHBondContact O-CD2 3.22Å; T100-H118 PolarHBondContact O-N 3.47Å; E101-H118 IonicContact OE1-NE2 3.34Å; I116-H118 PolarHBondContact O-N 3.04Å; H118-N120 PolarHBondContact ND1-N 2.97Å; H118-N120 VanDerWaalsContact ND1-N 3.16Å; H118-Q126 PolarHBondContact O-NE2 3.26Å
119C94.2Very high96.3Very high9 Ų922.4 Ų22.46%0.06113%0.128CC..SBendtrans-104.57.7177.461.40000114.4C121 A288 N463C119-C121 PolarHBondContact O-N 3.3Å; C119-A288 HydrophobicContact CB-CB 4.4Å; C119-A288 WeakPolarHBondContact CB-O 3.1Å; C119-N463 PolarHBondContact O-ND2 2.98Å
120N90.6Very high96.3Very high24 Ų2422.4 Ų22.413%0.12813%0.128CC..SBendtrans-78.154.8176.4-16638.1000113D97 H118 M452 V457D97-N120 PolarHBondContact OD2-ND2 2.81Å; D97-N120 VanDerWaalsContact OD2-ND2 3.07Å; H118-N120 PolarHBondContact ND1-N 2.97Å; H118-N120 VanDerWaalsContact ND1-N 3.16Å; N120-M452 HydrophobicContact CB-CE 3.34Å; N120-V457 WeakPolarHBondContact ND2-CG1 3.38Å
121C91.5Very high96.3Very high27 Ų2722.5 Ų22.518%0.18213%0.13CC..SBendtrans-162.9171.5-177.755.30000109.1C119 Y125 R298C119-C121 PolarHBondContact O-N 3.3Å; C121-Y125 HydrophobicContact CB-CD1 3.64Å; C121-Y125 HydrophobicContact CB-CE1 4.3Å; C121-Y125 HydrophobicContact CB-CG 4.29Å; C121-R298 PolarHBondContact O-NH1 2.86Å; C121-R298 PolarHBondContact O-NH2 3.2Å
122A93Very high96.2Very high53 Ų5326 Ų2644%0.43815%0.145SC..  trans-61.1148.6174.300000111.6T124 Y125 Q126A122-T124 VanDerWaalsContact C-N 3.27Å; A122-T124 PolarHBondContact O-N 2.75Å; A122-Y125 PolarHBondContact O-N 2.82Å; A122-Q126 PolarHBondContact O-N 3.05Å; A122-Q126 VanDerWaalsContact O-N 3.12Å
123P95.2Very high96.2Very high41 Ų4126 Ų2627%0.26615%0.145SC..Hα-helixtrans-53.3-41.9177.1-27.335000113.9Q126 A127 R298 L301P123-Q126 PolarHBondContact O-N 3.2Å; P123-A127 WeakPolarHBondContact O-CB 3.3Å; P123-A127 PolarHBondContact O-N 3.31Å; P123-R298 HydrophobicContact CB-CB 4.03Å; P123-R298 HydrophobicContact CB-CG 4.2Å; P123-R298 VanDerWaalsContact CD-NH2 3.31Å; P123-R298 HydrophobicContact CG-CB 4.29Å; P123-L301 HydrophobicContact CB-CD1 3.75Å
124T96.1Very high96Very high99 Ų9926.3 Ų26.361%0.60715%0.146SC*.Hα-helixtrans-65.2-40.7178.8500000112.6A122 A127 E128 L301A122-T124 VanDerWaalsContact C-N 3.27Å; A122-T124 PolarHBondContact O-N 2.75Å; T124-A127 PolarHBondContact O-N 3.15Å; T124-E128 PolarHBondContact O-N 3Å; T124-L301 HydrophobicContact CG2-CD1 4.15Å
125Y96Very high95.6Very high98 Ų9830.6 Ų30.638%0.38416%0.162SC..Hα-helixtrans-62.4-46.7175.7-178.6-88.6000111E101 C121 A122 A127 E128 E129E101-Y125 WeakPolarHBondContact OE1-CE1 3.36Å; E101-Y125 PolarHBondContact OE1-OH 3.01Å; C121-Y125 HydrophobicContact CB-CD1 3.64Å; C121-Y125 HydrophobicContact CB-CE1 4.3Å; C121-Y125 HydrophobicContact CB-CG 4.29Å; A122-Y125 PolarHBondContact O-N 2.82Å; Y125-A127 VanDerWaalsContact C-N 3.34Å; Y125-A127 PolarHBondContact O-N 3.07Å; Y125-E128 PolarHBondContact O-N 2.84Å; Y125-E129 HydrophobicContact CD1-CG 4.07Å; Y125-E129 HydrophobicContact CE1-CG 3.71Å; Y125-E129 PolarHBondContact O-N 3.27Å
126Q97.7Very high95.1Very high0 Ų031.5 Ų31.50%017%0.17CC..Hα-helixtrans-62.5-41.4178.7-160.8-171.916.100112.3I117 H118 A122 P123 E128 E129 V130 A288 L302I117-Q126 HydrophobicContact CG2-CG 3.8Å; I117-Q126 PolarHBondContact O-NE2 2.65Å; H118-Q126 PolarHBondContact O-NE2 3.26Å; A122-Q126 PolarHBondContact O-N 3.05Å; A122-Q126 VanDerWaalsContact O-N 3.12Å; P123-Q126 PolarHBondContact O-N 3.2Å; Q126-E128 VanDerWaalsContact C-N 3.32Å; Q126-E129 PolarHBondContact O-N 3.24Å; Q126-V130 PolarHBondContact O-N 2.81Å; Q126-A288 PolarHBondContact NE2-O 3.4Å; Q126-L302 HydrophobicContact CB-CD2 4.26Å; Q126-L302 HydrophobicContact CG-CD2 3.91Å
127A97.8Very high94.4Very high12 Ų1231.8 Ų31.810%0.09917%0.171CC..Hα-helixtrans-62.7-39.3175.400000111.8P123 T124 Y125 V130 A131 L301 A305P123-A127 WeakPolarHBondContact O-CB 3.3Å; P123-A127 PolarHBondContact O-N 3.31Å; T124-A127 PolarHBondContact O-N 3.15Å; Y125-A127 VanDerWaalsContact C-N 3.34Å; Y125-A127 PolarHBondContact O-N 3.07Å; A127-V130 WeakPolarHBondContact O-CB 3.47Å; A127-V130 PolarHBondContact O-N 3.37Å; A127-A131 WeakPolarHBondContact O-CB 3.36Å; A127-A131 PolarHBondContact O-N 3.17Å; A127-L301 HydrophobicContact CB-CB 3.92Å; A127-A305 HydrophobicContact CB-CB 4.23Å; A127-A305 VanDerWaalsContact O-CB 3.31Å; A127-A305 WeakPolarHBondContact O-CB 3.12Å
128E96.7Very high93.1Very high82 Ų8233.9 Ų33.938%0.38318%0.181SC..Hα-helixtrans-66.2-38.6174.6-177.354.1-148.300112.1T124 Y125 Q126 A131 K132 R135T124-E128 PolarHBondContact O-N 3Å; Y125-E128 PolarHBondContact O-N 2.84Å; Q126-E128 VanDerWaalsContact C-N 3.32Å; E128-A131 PolarHBondContact O-N 2.92Å; E128-K132 WeakPolarHBondContact O-CG 3.34Å; E128-K132 PolarHBondContact O-N 3.46Å; E128-R135 IonicContact OE1-CZ 3.72Å; E128-R135 IonicContact OE1-NH1 2.81Å; E128-R135 IonicContact OE1-NH2 3.53Å; E128-R135 PolarHBondContact OE1-NH2 3.19Å; E128-R135 IonicContact OE2-NH1 3.62Å
129E98Very high92.3Very high2 Ų233.6 Ų33.61%0.00918%0.179CC..Hα-helixtrans-60.5-44.3172.3-71.1-60105.900111.8E101 S102 I117 Y125 Q126 A131 K132 V133E101-E129 WeakPolarHBondContact CB-OE2 3.47Å; S102-E129 WeakPolarHBondContact CA-OE2 3.47Å; S102-E129 WeakPolarHBondContact CB-OE2 3.41Å; S102-E129 PolarHBondContact N-OE2 3.36Å; S102-E129 PolarHBondContact OG-OE2 2.98Å; I117-E129 HydrophobicContact CD1-CB 3.89Å; I117-E129 HydrophobicContact CG2-CB 4.09Å; Y125-E129 HydrophobicContact CD1-CG 4.07Å; Y125-E129 HydrophobicContact CE1-CG 3.71Å; Y125-E129 PolarHBondContact O-N 3.27Å; Q126-E129 PolarHBondContact O-N 3.24Å; E129-A131 VanDerWaalsContact C-N 3.34Å; E129-A131 PolarHBondContact O-N 2.9Å; E129-K132 WeakPolarHBondContact O-CB 3.21Å; E129-K132 PolarHBondContact O-N 2.75Å; E129-K132 WeakPolarHBondContact OE1-CD 3.21Å; E129-K132 WeakPolarHBondContact OE1-CE 3.37Å; E129-K132 IonicContact OE1-NZ 2.99Å; E129-K132 PolarHBondContact OE1-NZ 3.37Å; E129-V133 WeakPolarHBondContact O-CG2 3.18Å; E129-V133 PolarHBondContact O-N 2.85Å
130V98.2Very high91.7Very high0 Ų036 Ų360%019%0.189CC..Hα-helixtrans-58.3-48172.7167.30000110.4I117 Q126 A127 K132 V133 K134 V285 A287 L302 A305 V307I117-V130 HydrophobicContact CD1-CB 4.39Å; I117-V130 HydrophobicContact CD1-CG2 3.7Å; Q126-V130 PolarHBondContact O-N 2.81Å; A127-V130 WeakPolarHBondContact O-CB 3.47Å; A127-V130 PolarHBondContact O-N 3.37Å; V130-K132 VanDerWaalsContact C-N 3.31Å; V130-K132 PolarHBondContact O-N 3.02Å; V130-V133 WeakPolarHBondContact O-CB 3.5Å; V130-V133 PolarHBondContact O-N 3.06Å; V130-K134 HydrophobicContact CG1-CG 4.34Å; V130-K134 PolarHBondContact O-N 3.46Å; V130-V285 HydrophobicContact CG1-CG1 3.84Å; V130-A287 HydrophobicContact CG2-CB 4.2Å; V130-L302 HydrophobicContact CG2-CD2 3.77Å; V130-A305 HydrophobicContact CB-CB 4.04Å; V130-A305 HydrophobicContact CG1-CB 3.72Å; V130-V307 HydrophobicContact CG1-CB 4.12Å
131A94.9Very high91.5Very high12 Ų1235.9 Ų35.910%0.09919%0.188CC..Hα-helixtrans-62.7-37.4-178.400000112A127 E128 E129 V133 K134 R135 A305A127-A131 WeakPolarHBondContact O-CB 3.36Å; A127-A131 PolarHBondContact O-N 3.17Å; E128-A131 PolarHBondContact O-N 2.92Å; E129-A131 VanDerWaalsContact C-N 3.34Å; E129-A131 PolarHBondContact O-N 2.9Å; A131-V133 VanDerWaalsContact C-N 3.35Å; A131-V133 PolarHBondContact O-N 2.88Å; A131-K134 PolarHBondContact O-N 2.9Å; A131-R135 WeakPolarHBondContact O-CB 3.42Å; A131-R135 VanDerWaalsContact O-CG 3.25Å; A131-R135 WeakPolarHBondContact O-CG 3.33Å; A131-R135 PolarHBondContact O-N 3.49Å; A131-A305 HydrophobicContact CB-CB 4.29Å
132K94.5Very high91Very high80 Ų8039 Ų3935%0.34821%0.206SC..Hα-helixtrans-58-44.6171.4-72.9172.1-172.7169.60111.6E128 E129 V130 R135 A136E128-K132 WeakPolarHBondContact O-CG 3.34Å; E128-K132 PolarHBondContact O-N 3.46Å; E129-K132 WeakPolarHBondContact O-CB 3.21Å; E129-K132 PolarHBondContact O-N 2.75Å; E129-K132 WeakPolarHBondContact OE1-CD 3.21Å; E129-K132 WeakPolarHBondContact OE1-CE 3.37Å; E129-K132 IonicContact OE1-NZ 2.99Å; E129-K132 PolarHBondContact OE1-NZ 3.37Å; V130-K132 VanDerWaalsContact C-N 3.31Å; V130-K132 PolarHBondContact O-N 3.02Å; K132-R135 PolarHBondContact O-N 3.03Å; K132-A136 PolarHBondContact O-N 3.46Å
133V96.6Very high90.6Very high0 Ų042.6 Ų42.60%022%0.218CC..Hα-helixtrans-63.7-48177.4-175.30000111.1A105 I106 I117 E129 V130 A131 R135 A136 L283 V285A105-V133 HydrophobicContact CB-CG1 4.48Å; A105-V133 HydrophobicContact CB-CG2 3.67Å; I106-V133 HydrophobicContact CG1-CB 4.21Å; I106-V133 HydrophobicContact CG1-CG1 4.06Å; I106-V133 HydrophobicContact CG1-CG2 4.07Å; I117-V133 HydrophobicContact CD1-CG2 4.21Å; E129-V133 WeakPolarHBondContact O-CG2 3.18Å; E129-V133 PolarHBondContact O-N 2.85Å; V130-V133 WeakPolarHBondContact O-CB 3.5Å; V130-V133 PolarHBondContact O-N 3.06Å; A131-V133 VanDerWaalsContact C-N 3.35Å; A131-V133 PolarHBondContact O-N 2.88Å; V133-R135 PolarHBondContact O-N 3.1Å; V133-A136 WeakPolarHBondContact O-CB 3.47Å; V133-A136 PolarHBondContact O-N 3.41Å; V133-A136 VanDerWaalsContact O-N 3.13Å; V133-L283 HydrophobicContact CG1-CB 4.11Å; V133-V285 HydrophobicContact CB-CB 4.08Å; V133-V285 HydrophobicContact CB-CG2 3.91Å; V133-V285 HydrophobicContact CG1-CB 3.76Å; V133-V285 HydrophobicContact CG1-CG2 3.94Å; V133-V285 HydrophobicContact CG2-CG2 3.86Å
134K94.5Very high90.3Very high6 Ų641.3 Ų41.33%0.02621%0.209CC..Hα-helixtrans-64.9-24.5178.5-60-56.2-68.8-172.40112.8V130 A131 Q138 D278 L283 V285 G306 D308V130-K134 HydrophobicContact CG1-CG 4.34Å; V130-K134 PolarHBondContact O-N 3.46Å; A131-K134 PolarHBondContact O-N 2.9Å; K134-Q138 VanDerWaalsContact O-CG 3.22Å; K134-Q138 WeakPolarHBondContact O-CG 3.42Å; K134-Q138 PolarHBondContact O-NE2 3.37Å; K134-D278 IonicContact NZ-OD2 2.63Å; K134-D278 PolarHBondContact NZ-OD2 3.26Å; K134-L283 WeakPolarHBondContact CD-O 3.38Å; K134-L283 WeakPolarHBondContact CE-O 3.24Å; K134-L283 PolarHBondContact NZ-O 2.62Å; K134-V285 HydrophobicContact CD-CG1 3.62Å; K134-V285 HydrophobicContact CG-CG1 4.14Å; K134-G306 VanDerWaalsContact CD-O 3.31Å; K134-G306 WeakPolarHBondContact CD-O 3.42Å; K134-G306 WeakPolarHBondContact CE-O 3.27Å; K134-D308 VanDerWaalsContact NZ-CG 3.31Å; K134-D308 IonicContact NZ-OD1 3.5Å; K134-D308 PolarHBondContact NZ-OD1 3.43Å; K134-D308 IonicContact NZ-OD2 3.73Å; K134-D308 PolarHBondContact NZ-OD2 3.3Å
135R90.2Very high90.1Very high90 Ų9038.6 Ų38.634%0.3419%0.193SC..Hα-helixtrans-84.9-19.7174.1-70.1-173.8-53.4-106.10.9114.6E128 A131 K132 V133 K137E128-R135 IonicContact OE1-CZ 3.72Å; E128-R135 IonicContact OE1-NH1 2.81Å; E128-R135 IonicContact OE1-NH2 3.53Å; E128-R135 PolarHBondContact OE1-NH2 3.19Å; E128-R135 IonicContact OE2-NH1 3.62Å; A131-R135 WeakPolarHBondContact O-CB 3.42Å; A131-R135 VanDerWaalsContact O-CG 3.25Å; A131-R135 WeakPolarHBondContact O-CG 3.33Å; A131-R135 PolarHBondContact O-N 3.49Å; K132-R135 PolarHBondContact O-N 3.03Å; V133-R135 PolarHBondContact O-N 3.1Å; R135-K137 PolarHBondContact O-N 3.04Å
136A87.8Confident90Very high19 Ų1934.8 Ų34.816%0.15718%0.18CC..Hα-helixtrans-63.5-26.6-175.100000113.4I106 K132 V133 K268 L283I106-A136 HydrophobicContact CD1-CB 3.61Å; I106-A136 HydrophobicContact CG1-CB 3.67Å; I106-A136 HydrophobicContact CG2-CB 4.09Å; K132-A136 PolarHBondContact O-N 3.46Å; V133-A136 WeakPolarHBondContact O-CB 3.47Å; V133-A136 PolarHBondContact O-N 3.41Å; V133-A136 VanDerWaalsContact O-N 3.13Å; A136-K268 PolarHBondContact O-NZ 3.28Å; A136-L283 HydrophobicContact CB-CD1 4.1Å
137K83.8Confident89.9Confident7 Ų735.3 Ų35.33%0.0318%0.182CC..  trans-151.4130.5172.9-173.3-165.3173.4-53.70107R135 D265 V277 G281 R282 L283R135-K137 PolarHBondContact O-N 3.04Å; K137-D265 HydrophobicContact CG-CB 4.35Å; K137-V277 HydrophobicContact CD-CG1 4.28Å; K137-G281 PolarHBondContact NZ-O 3.32Å; K137-R282 VanDerWaalsContact O-CA 3.24Å; K137-R282 WeakPolarHBondContact O-CA 3.41Å; K137-L283 HydrophobicContact CB-CD1 4.44Å; K137-L283 HydrophobicContact CB-CD2 4.33Å; K137-L283 HydrophobicContact CB-CG 3.97Å; K137-L283 HydrophobicContact CD-CD2 4.05Å
138Q71.8Confident89.9Confident44 Ų4435.6 Ų35.621%0.20618%0.184CC..  trans-131-11-171.6-70.7-174.5-36.600115.2K134 F140 I141 D265 R282K134-Q138 VanDerWaalsContact O-CG 3.22Å; K134-Q138 WeakPolarHBondContact O-CG 3.42Å; K134-Q138 PolarHBondContact O-NE2 3.37Å; Q138-F140 CarbonylContact O-C 3.49Å; Q138-F140 PolarHBondContact O-N 3.45Å; Q138-I141 HydrophobicContact CB-CG1 3.84Å; Q138-D265 PolarHBondContact N-OD2 3.06Å; Q138-R282 HydrophobicContact CG-CG 4.39Å
139G78.7Confident89.8Confident0 Ų032.7 Ų32.70%017%0.172CC..SBendtrans65.6-101.1-174.700000109.1D265G139-D265 PolarHBondContact N-OD2 3.15Å
140F83.2Confident89.7Confident60 Ų6037.9 Ų37.926%0.26320%0.196SC..SBendtrans-88117.4164.4-69-83.4000110.4Q138 V142 V219 L221 I250 I261Q138-F140 CarbonylContact O-C 3.49Å; Q138-F140 PolarHBondContact O-N 3.45Å; F140-V142 PolarHBondContact O-N 2.97Å; F140-V219 HydrophobicContact CE1-CG1 4.01Å; F140-V219 HydrophobicContact CZ-CG1 4.2Å; F140-V219 WeakPolarHBondContact CZ-O 3.07Å; F140-L221 HydrophobicContact CD2-CD1 3.99Å; F140-L221 HydrophobicContact CE2-CB 3.8Å; F140-L221 HydrophobicContact CE2-CD1 3.84Å; F140-L221 HydrophobicContact CE2-CG 4.42Å; F140-L221 HydrophobicContact CZ-CB 4.4Å; F140-L221 HydrophobicContact CZ-CD1 4.35Å; F140-I250 HydrophobicContact CD1-CG1 4.15Å; F140-I250 HydrophobicContact CE1-CD1 4.31Å; F140-I250 HydrophobicContact CE1-CG1 4.12Å; F140-I261 HydrophobicContact CD1-CD1 3.75Å; F140-I261 HydrophobicContact CD1-CG1 3.77Å; F140-I261 HydrophobicContact CE1-CD1 3.47Å; F140-I261 VanDerWaalsContact CE1-CD1 3.47Å; F140-I261 HydrophobicContact CE1-CG1 4.04Å; F140-I261 HydrophobicContact CG-CG1 4.45Å; F140-I261 HydrophobicContact CZ-CD1 4.04Å
141I85.8Confident89.6Confident22 Ų2241.1 Ų41.111%0.11321%0.211CC..BIsolated β-bridgetrans-81.598.5173.9-55165.1000107.2Q138 P144 S259 L260 A262Q138-I141 HydrophobicContact CB-CG1 3.84Å; I141-P144 HydrophobicContact CG2-CB 3.88Å; I141-P144 WeakPolarHBondContact O-CD 3.31Å; I141-S259 CarbonylContact O-C 3.55Å; I141-S259 WeakPolarHBondContact O-CA 3.41Å; I141-S259 WeakPolarHBondContact O-CB 3.36Å; I141-L260 HydrophobicContact CB-CB 4.13Å; I141-L260 WeakPolarHBondContact CB-O 3.48Å; I141-L260 HydrophobicContact CD1-CB 4.24Å; I141-L260 HydrophobicContact CD1-CD2 4.14Å; I141-L260 HydrophobicContact CD1-CG 4.32Å; I141-L260 VanDerWaalsContact CG1-O 3.23Å; I141-L260 WeakPolarHBondContact CG1-O 3.49Å; I141-L260 PolarHBondContact N-O 3.32Å; I141-L260 PolarHBondContact O-N 3.38Å; I141-A262 HydrophobicContact CD1-CB 4.49Å
142V81Confident89.7Confident91 Ų9141.8 Ų41.855%0.55221%0.214SC*.SBendtrans-72.8-26.5-172.4-179.40000113.3F140F140-V142 PolarHBondContact O-N 2.97Å
143N84.1Confident89.7Confident130 Ų13038 Ų3870%0.69520%0.197SC*.SBendtrans-133.874.5175.5-75.5-31.3000109.6
144P88.7Confident89.6Confident13 Ų1342.3 Ų42.38%0.08421%0.214CC..  trans-64.3155.4176.828.5-33000110I141 V146 V176 L257 L260I141-P144 HydrophobicContact CG2-CB 3.88Å; I141-P144 WeakPolarHBondContact O-CD 3.31Å; P144-V146 HydrophobicContact CG-CG2 4.03Å; P144-V146 WeakPolarHBondContact O-CG2 3.23Å; P144-V146 PolarHBondContact O-N 3.44Å; P144-V176 HydrophobicContact CG-CG2 4.31Å; P144-L257 HydrophobicContact CG-CD2 4.08Å; P144-L260 HydrophobicContact CB-CB 4.1Å; P144-L260 HydrophobicContact CB-CD2 4.05Å; P144-L260 HydrophobicContact CG-CB 4.22Å
145V91.8Very high89.6Confident42 Ų4244.4 Ų44.426%0.25523%0.226SC..  trans-65.1125.4163.4176.80000106.9V159 Y163 F165 V168 P169V145-V159 HydrophobicContact CG1-CG1 4.09Å; V145-V159 HydrophobicContact CG1-CG2 3.88Å; V145-Y163 HydrophobicContact CG2-CD2 4.25Å; V145-Y163 HydrophobicContact CG2-CE2 4.02Å; V145-F165 HydrophobicContact CB-CE2 4.19Å; V145-F165 HydrophobicContact CB-CZ 4.17Å; V145-F165 HydrophobicContact CG2-CE2 4.3Å; V145-F165 HydrophobicContact CG2-CZ 3.79Å; V145-V168 WeakPolarHBondContact O-CG1 3.36Å; V145-P169 WeakPolarHBondContact O-CD 3.38Å
146V94.6Very high89.7Confident19 Ų1940.1 Ų40.112%0.11521%0.209CC..  trans-122.5150.1-179.1-173.30000108.2P144 P169 T171 V176 L257P144-V146 HydrophobicContact CG-CG2 4.03Å; P144-V146 WeakPolarHBondContact O-CG2 3.23Å; P144-V146 PolarHBondContact O-N 3.44Å; V146-P169 WeakPolarHBondContact CA-O 3.09Å; V146-P169 WeakPolarHBondContact CG1-O 3.18Å; V146-T171 HydrophobicContact CG1-CG2 3.54Å; V146-T171 WeakPolarHBondContact CG1-OG1 3.45Å; V146-V176 HydrophobicContact CG2-CG2 3.64Å; V146-L257 HydrophobicContact CG1-CD2 4.46Å; V146-L257 HydrophobicContact CG2-CD2 3.72Å
147M95.9Very high89.9Confident10 Ų1039.8 Ų39.85%0.04921%0.205CC..BIsolated β-bridgetrans-131.1160.9175.6-75.3171.1175.400110.7H151 D155 V156 V159 V168 P169 I170 T171 G174 L202M147-H151 HydrophobicContact CB-CB 4.13Å; M147-H151 HydrophobicContact CG-CB 4.39Å; M147-H151 HydrophobicContact SD-CB 4.44Å; M147-D155 VanDerWaalsContact CE-C 3.49Å; M147-D155 HydrophobicContact CE-CB 3.84Å; M147-D155 WeakPolarHBondContact CE-O 3.29Å; M147-D155 HydrophobicContact SD-CB 4.31Å; M147-V156 HydrophobicContact CE-CG2 4.36Å; M147-V156 HydrophobicContact SD-CG2 3.59Å; M147-V156 VanDerWaalsContact SD-CG2 3.59Å; M147-V159 HydrophobicContact CE-CB 4.22Å; M147-V159 HydrophobicContact CE-CG2 3.29Å; M147-V168 HydrophobicContact CB-CG1 3.98Å; M147-V168 HydrophobicContact CG-CG1 3.79Å; M147-V168 HydrophobicContact SD-CG1 3.87Å; M147-P169 PolarHBondContact N-O 3.03Å; M147-P169 VanDerWaalsContact N-O 3.15Å; M147-I170 HydrophobicContact CB-CD1 3.97Å; M147-I170 CarbonylContact O-C 3.52Å; M147-I170 VanDerWaalsContact O-CA 3.26Å; M147-I170 WeakPolarHBondContact O-CA 3.37Å; M147-T171 PolarHBondContact O-N 2.86Å; M147-G174 VanDerWaalsContact C-CA 3.49Å; M147-L202 HydrophobicContact CB-CD1 3.8Å; M147-L202 HydrophobicContact CG-CD1 4.32Å; M147-L202 HydrophobicContact SD-CD1 3.6Å; M147-L202 VanDerWaalsContact SD-CD1 3.6Å
148S96.5Very high90.3Very high19 Ų1943.4 Ų43.413%0.13322%0.222CC..  trans-88.6160.6172.384.40000110.9E150 H151 T171S148-E150 PolarHBondContact O-N 3.25Å; S148-E150 VanDerWaalsContact O-N 3.1Å; S148-E150 PolarHBondContact OG-N 3.46Å; S148-H151 WeakPolarHBondContact CB-ND1 3.45Å; S148-H151 PolarHBondContact N-CE1 2.61Å; S148-H151 PolarHBondContact N-ND1 3.27Å; S148-H151 WeakPolarHBondContact O-CB 3.41Å; S148-H151 PolarHBondContact O-N 3.32Å; S148-H151 VanDerWaalsContact O-N 3.13Å; S148-H151 PolarHBondContact O-ND1 2.92Å; S148-H151 PolarHBondContact OG-CE1 3.3Å; S148-H151 PolarHBondContact OG-ND1 3.34Å; S148-T171 WeakPolarHBondContact CA-O 3.09Å
149P95.7Very high91.2Very high21 Ų2142 Ų4214%0.13622%0.216CC..THydrogen-bonded Turntrans-58.8-20.6175.121.9-34.4000114.1I170 T171 L181 S203P149-I170 HydrophobicContact CB-CG2 4.36Å; P149-T171 WeakPolarHBondContact CD-O 3.45Å; P149-L181 HydrophobicContact CG-CD1 3.9Å; P149-S203 PolarHBondContact O-N 3.5Å; P149-S203 VanDerWaalsContact O-N 3.12Å; P149-S203 PolarHBondContact O-OG 3.38Å
150E95.7Very high91.8Very high110 Ų11045.7 Ų45.751%0.51423%0.232SC..THydrogen-bonded Turntrans-85.1-15.1-179.2-60.9-55.8123.500113.8S148 K201S148-E150 PolarHBondContact O-N 3.25Å; S148-E150 VanDerWaalsContact O-N 3.1Å; S148-E150 PolarHBondContact OG-N 3.46Å; E150-K201 WeakPolarHBondContact OE2-CE 3.2Å; E150-K201 IonicContact OE2-NZ 3.05Å; E150-K201 PolarHBondContact OE2-NZ 3.44Å
151H96Very high92Very high69 Ų6948.8 Ų48.832%0.31925%0.251SS..  trans-62.4163.4171.3-72.376000110.3M147 S148 D155 K201 L202M147-H151 HydrophobicContact CB-CB 4.13Å; M147-H151 HydrophobicContact CG-CB 4.39Å; M147-H151 HydrophobicContact SD-CB 4.44Å; S148-H151 WeakPolarHBondContact CB-ND1 3.45Å; S148-H151 PolarHBondContact N-CE1 2.61Å; S148-H151 PolarHBondContact N-ND1 3.27Å; S148-H151 WeakPolarHBondContact O-CB 3.41Å; S148-H151 PolarHBondContact O-N 3.32Å; S148-H151 VanDerWaalsContact O-N 3.13Å; S148-H151 PolarHBondContact O-ND1 2.92Å; S148-H151 PolarHBondContact OG-CE1 3.3Å; S148-H151 PolarHBondContact OG-ND1 3.34Å; H151-D155 HydrophobicContact CB-CB 4.36Å; H151-D155 IonicContact CD2-OD2 3.55Å; H151-K201 CarbonylContact O-C 3.59Å; H151-K201 WeakPolarHBondContact O-CA 3.11Å; H151-L202 HydrophobicContact CB-CD1 3.76Å; H151-L202 HydrophobicContact CB-CG 4.22Å; H151-L202 WeakPolarHBondContact O-CG 3.22Å; H151-L202 PolarHBondContact O-N 2.92Å
152T95.8Very high92.1Very high25 Ų2555 Ų5515%0.15328%0.278CS..BIsolated β-bridgetrans-110.3167.1-173.867.10000111.4Y154 D155 V156 W197 Q198 T200T152-Y154 PolarHBondContact O-N 3.03Å; T152-Y154 WeakPolarHBondContact OG1-CB 3.43Å; T152-Y154 PolarHBondContact OG1-N 3.07Å; T152-D155 PolarHBondContact N-OD2 2.92Å; T152-D155 WeakPolarHBondContact O-CB 3.36Å; T152-D155 PolarHBondContact O-N 2.93Å; T152-D155 VanDerWaalsContact O-N 3.15Å; T152-D155 PolarHBondContact OG1-N 3.28Å; T152-D155 PolarHBondContact OG1-OD2 3.49Å; T152-V156 PolarHBondContact O-N 2.86Å; T152-W197 WeakPolarHBondContact CB-O 3.21Å; T152-Q198 VanDerWaalsContact CG2-O 3.31Å; T152-Q198 WeakPolarHBondContact CG2-O 3.34Å; T152-T200 VanDerWaalsContact CA-O 3.29Å; T152-T200 WeakPolarHBondContact CA-O 2.96Å
153V94.5Very high92.2Very high0 Ų054.7 Ų54.70%027%0.267CS..Hα-helixtrans-60-32.8171.51740000111.2D155 V156 M157 V189 I192 W197 T200 L202 V205V153-D155 VanDerWaalsContact C-N 3.29Å; V153-D155 PolarHBondContact O-N 3.13Å; V153-V156 PolarHBondContact O-N 3.12Å; V153-M157 HydrophobicContact CG1-CE 4.06Å; V153-M157 WeakPolarHBondContact O-CG 3.43Å; V153-M157 PolarHBondContact O-N 2.99Å; V153-V189 HydrophobicContact CB-CG1 4.44Å; V153-V189 HydrophobicContact CG1-CB 3.84Å; V153-V189 HydrophobicContact CG1-CG1 3.87Å; V153-V189 HydrophobicContact CG2-CG1 3.98Å; V153-I192 HydrophobicContact CG1-CD1 4.4Å; V153-I192 HydrophobicContact CG2-CD1 3.63Å; V153-W197 HydrophobicContact CB-CB 4.48Å; V153-W197 HydrophobicContact CG1-CB 4.43Å; V153-W197 HydrophobicContact CG1-CG 4.01Å; V153-W197 PolarHBondContact N-O 2.92Å; V153-T200 HydrophobicContact CG2-CG2 3.94Å; V153-T200 PolarHBondContact N-O 3.44Å; V153-L202 HydrophobicContact CG2-CD2 4.47Å; V153-V205 HydrophobicContact CG2-CG2 4.38Å
154Y94.8Very high92.2Very high92 Ų9251.7 Ų51.736%0.36127%0.267SS..Hα-helixtrans-56.7-42.8174.4-176.9-99000111.9T152 V156 M157 Q158 W197 Q198T152-Y154 PolarHBondContact O-N 3.03Å; T152-Y154 WeakPolarHBondContact OG1-CB 3.43Å; T152-Y154 PolarHBondContact OG1-N 3.07Å; Y154-V156 VanDerWaalsContact C-N 3.32Å; Y154-V156 PolarHBondContact O-N 3.07Å; Y154-M157 WeakPolarHBondContact O-CB 3.47Å; Y154-M157 PolarHBondContact O-N 2.86Å; Y154-M157 VanDerWaalsContact O-N 3.1Å; Y154-Q158 HydrophobicContact CD1-CG 4.13Å; Y154-Q158 HydrophobicContact CE1-CG 3.81Å; Y154-Q158 WeakPolarHBondContact O-CG 3.34Å; Y154-Q158 PolarHBondContact O-N 2.83Å; Y154-Q158 PolarHBondContact OH-NE2 3.26Å; Y154-Q158 VanDerWaalsContact OH-NE2 3.12Å; Y154-W197 HydrophobicContact CD2-CE3 4.36Å; Y154-W197 PolarHBondContact N-O 2.96Å; Y154-Q198 HydrophobicContact CD2-CG 4.39Å; Y154-Q198 HydrophobicContact CG-CG 4.34Å
155D94.2Very high92Very high49 Ų4954.5 Ų54.526%0.26228%0.278SS..Hα-helixtrans-63.9-39179.3-57.1-54.8000111.6M147 H151 T152 V153 M157 Q158 V159M147-D155 VanDerWaalsContact CE-C 3.49Å; M147-D155 HydrophobicContact CE-CB 3.84Å; M147-D155 WeakPolarHBondContact CE-O 3.29Å; M147-D155 HydrophobicContact SD-CB 4.31Å; H151-D155 HydrophobicContact CB-CB 4.36Å; H151-D155 IonicContact CD2-OD2 3.55Å; T152-D155 PolarHBondContact N-OD2 2.92Å; T152-D155 WeakPolarHBondContact O-CB 3.36Å; T152-D155 PolarHBondContact O-N 2.93Å; T152-D155 VanDerWaalsContact O-N 3.15Å; T152-D155 PolarHBondContact OG1-N 3.28Å; T152-D155 PolarHBondContact OG1-OD2 3.49Å; V153-D155 VanDerWaalsContact C-N 3.29Å; V153-D155 PolarHBondContact O-N 3.13Å; D155-M157 VanDerWaalsContact C-N 3.33Å; D155-M157 PolarHBondContact O-N 2.96Å; D155-Q158 WeakPolarHBondContact O-CB 3.22Å; D155-Q158 PolarHBondContact O-N 3.04Å; D155-V159 PolarHBondContact O-N 3.27Å
156V93.2Very high91.6Very high0 Ų052.7 Ų52.70%027%0.267CS..Hα-helixtrans-64-38.4173.6174.40000111.3M147 T152 V153 Y154 V159 K160 V189 L202M147-V156 HydrophobicContact CE-CG2 4.36Å; M147-V156 HydrophobicContact SD-CG2 3.59Å; M147-V156 VanDerWaalsContact SD-CG2 3.59Å; T152-V156 PolarHBondContact O-N 2.86Å; V153-V156 PolarHBondContact O-N 3.12Å; Y154-V156 VanDerWaalsContact C-N 3.32Å; Y154-V156 PolarHBondContact O-N 3.07Å; V156-V159 PolarHBondContact O-N 3.11Å; V156-K160 PolarHBondContact O-N 3.36Å; V156-V189 HydrophobicContact CG1-CG2 4.3Å; V156-L202 HydrophobicContact CG2-CD1 3.75Å; V156-L202 HydrophobicContact CG2-CD2 3.56Å; V156-L202 HydrophobicContact CG2-CG 4.3Å
157M92.2Very high91.2Very high12 Ų1252.1 Ų52.16%0.05927%0.265CS..Hα-helixtrans-67.2-36.2175.5-65.2-56.3164.600112.1V153 Y154 D155 V159 K160 N161 V189 W197V153-M157 HydrophobicContact CG1-CE 4.06Å; V153-M157 WeakPolarHBondContact O-CG 3.43Å; V153-M157 PolarHBondContact O-N 2.99Å; Y154-M157 WeakPolarHBondContact O-CB 3.47Å; Y154-M157 PolarHBondContact O-N 2.86Å; Y154-M157 VanDerWaalsContact O-N 3.1Å; D155-M157 VanDerWaalsContact C-N 3.33Å; D155-M157 PolarHBondContact O-N 2.96Å; M157-V159 VanDerWaalsContact C-N 3.35Å; M157-V159 PolarHBondContact O-N 2.83Å; M157-K160 WeakPolarHBondContact O-CB 3.42Å; M157-K160 PolarHBondContact O-N 2.91Å; M157-K160 HydrophobicContact SD-CD 4.03Å; M157-N161 WeakPolarHBondContact O-CB 3.36Å; M157-N161 VanDerWaalsContact O-CG 3.26Å; M157-N161 PolarHBondContact O-N 3.26Å; M157-N161 PolarHBondContact O-ND2 2.78Å; M157-V189 HydrophobicContact CE-CB 3.72Å; M157-V189 HydrophobicContact CE-CG2 3.43Å; M157-V189 VanDerWaalsContact CE-CG2 3.43Å; M157-W197 HydrophobicContact CB-CE3 4.28Å; M157-W197 HydrophobicContact CB-CZ3 4.2Å; M157-W197 HydrophobicContact CE-CZ2 4.32Å; M157-W197 HydrophobicContact CG-CD2 4.01Å; M157-W197 HydrophobicContact CG-CE3 3.92Å; M157-W197 HydrophobicContact CG-CH2 4.06Å; M157-W197 HydrophobicContact CG-CZ2 4.12Å; M157-W197 HydrophobicContact CG-CZ3 3.96Å; M157-W197 HydrophobicContact SD-CZ2 4.4Å
158Q92.5Very high91Very high84 Ų8451.7 Ų51.739%0.39326%0.263SS..Hα-helixtrans-62.3-42172.1-67.7-58.5-32.600111.8Y154 D155 N161 K162Y154-Q158 HydrophobicContact CD1-CG 4.13Å; Y154-Q158 HydrophobicContact CE1-CG 3.81Å; Y154-Q158 WeakPolarHBondContact O-CG 3.34Å; Y154-Q158 PolarHBondContact O-N 2.83Å; Y154-Q158 PolarHBondContact OH-NE2 3.26Å; Y154-Q158 VanDerWaalsContact OH-NE2 3.12Å; D155-Q158 WeakPolarHBondContact O-CB 3.22Å; D155-Q158 PolarHBondContact O-N 3.04Å; Q158-N161 PolarHBondContact O-N 3.3Å; Q158-K162 VanDerWaalsContact O-CB 3.29Å; Q158-K162 WeakPolarHBondContact O-CB 3.47Å; Q158-K162 PolarHBondContact O-N 2.9Å
159V91.2Very high90.9Very high13 Ų1350.8 Ų50.88%0.07926%0.257CS..Hα-helixtrans-62.9-41.8173.4169.80000111.4V145 M147 D155 V156 M157 N161 K162 Y163 F165 V168V145-V159 HydrophobicContact CG1-CG1 4.09Å; V145-V159 HydrophobicContact CG1-CG2 3.88Å; M147-V159 HydrophobicContact CE-CB 4.22Å; M147-V159 HydrophobicContact CE-CG2 3.29Å; D155-V159 PolarHBondContact O-N 3.27Å; V156-V159 PolarHBondContact O-N 3.11Å; M157-V159 VanDerWaalsContact C-N 3.35Å; M157-V159 PolarHBondContact O-N 2.83Å; V159-N161 PolarHBondContact O-N 3.12Å; V159-K162 PolarHBondContact O-N 2.83Å; V159-Y163 HydrophobicContact CB-CD2 4.36Å; V159-Y163 HydrophobicContact CG1-CD2 3.87Å; V159-Y163 WeakPolarHBondContact O-CB 3.31Å; V159-Y163 PolarHBondContact O-N 3.1Å; V159-F165 HydrophobicContact CG1-CD2 4.21Å; V159-F165 HydrophobicContact CG1-CE2 3.78Å; V159-F165 HydrophobicContact CG1-CZ 4.32Å; V159-V168 HydrophobicContact CG1-CG2 4.02Å
160K90Very high91Very high78 Ų7849.8 Ų49.834%0.33925%0.25SS..Hα-helixtrans-60.4-44.7176.1-171.8180179.5178.10111.5V156 M157 G164 F165 D190V156-K160 PolarHBondContact O-N 3.36Å; M157-K160 WeakPolarHBondContact O-CB 3.42Å; M157-K160 PolarHBondContact O-N 2.91Å; M157-K160 HydrophobicContact SD-CD 4.03Å; K160-G164 WeakPolarHBondContact O-CA 3.48Å; K160-G164 PolarHBondContact O-N 3.05Å; K160-F165 VanDerWaalsContact CA-O 3.31Å; K160-F165 WeakPolarHBondContact CA-O 3.38Å; K160-F165 PolarHBondContact N-O 2.81Å; K160-D190 IonicContact NZ-OD1 3.85Å
161N88.6Confident91Very high125 Ų12544.5 Ų44.567%0.66823%0.226SC*.Hα-helixtrans-68.6-40.8179.2-69.4-17000112.1M157 Q158 V159M157-N161 WeakPolarHBondContact O-CB 3.36Å; M157-N161 VanDerWaalsContact O-CG 3.26Å; M157-N161 PolarHBondContact O-N 3.26Å; M157-N161 PolarHBondContact O-ND2 2.78Å; Q158-N161 PolarHBondContact O-N 3.3Å; V159-N161 PolarHBondContact O-N 3.12Å
162K86.4Confident91Very high153 Ų15345.1 Ų45.167%0.66523%0.231SC*.Hα-helixtrans-76-42.8-177.7-175.3172.4178.9-178.60113.3Q158 V159Q158-K162 VanDerWaalsContact O-CB 3.29Å; Q158-K162 WeakPolarHBondContact O-CB 3.47Å; Q158-K162 PolarHBondContact O-N 2.9Å; V159-K162 PolarHBondContact O-N 2.83Å
163Y84.5Confident91Very high85 Ų8548.5 Ų48.533%0.33325%0.249SC..Hα-helixtrans-115.9-7.3-170.1-54.4-69.8000114.4V145 V159 F165V145-Y163 HydrophobicContact CG2-CD2 4.25Å; V145-Y163 HydrophobicContact CG2-CE2 4.02Å; V159-Y163 HydrophobicContact CB-CD2 4.36Å; V159-Y163 HydrophobicContact CG1-CD2 3.87Å; V159-Y163 WeakPolarHBondContact O-CB 3.31Å; V159-Y163 PolarHBondContact O-N 3.1Å; Y163-F165 VanDerWaalsContact C-N 3.32Å; Y163-F165 HydrophobicContact CD2-CZ 4.46Å; Y163-F165 HydrophobicContact CG-CE1 4.14Å; Y163-F165 HydrophobicContact CG-CZ 4.35Å; Y163-F165 PolarHBondContact O-N 3.44Å
164G83.4Confident90.9Very high67 Ų6749.5 Ų49.569%0.69126%0.259SS*.SBendtrans78.29.4177.400000115.1K160K160-G164 WeakPolarHBondContact O-CA 3.48Å; K160-G164 PolarHBondContact O-N 3.05Å
165F83.6Confident90.8Very high72 Ų7247.3 Ų47.332%0.31626%0.259SS..  trans-134.6152.6176.165.4-100.5000111.3V145 V159 K160 Y163V145-F165 HydrophobicContact CB-CE2 4.19Å; V145-F165 HydrophobicContact CB-CZ 4.17Å; V145-F165 HydrophobicContact CG2-CE2 4.3Å; V145-F165 HydrophobicContact CG2-CZ 3.79Å; V159-F165 HydrophobicContact CG1-CD2 4.21Å; V159-F165 HydrophobicContact CG1-CE2 3.78Å; V159-F165 HydrophobicContact CG1-CZ 4.32Å; K160-F165 VanDerWaalsContact CA-O 3.31Å; K160-F165 WeakPolarHBondContact CA-O 3.38Å; K160-F165 PolarHBondContact N-O 2.81Å; Y163-F165 VanDerWaalsContact C-N 3.32Å; Y163-F165 HydrophobicContact CD2-CZ 4.46Å; Y163-F165 HydrophobicContact CG-CE1 4.14Å; Y163-F165 HydrophobicContact CG-CZ 4.35Å; Y163-F165 PolarHBondContact O-N 3.44Å
166S83.5Confident90.7Very high3 Ų347.5 Ų47.52%0.02126%0.263CS..  trans-125.59.1177.468.70000113.7V168 S186S166-V168 PolarHBondContact O-N 2.64Å; S166-S186 WeakPolarHBondContact OG-CA 3.44Å; S166-S186 WeakPolarHBondContact OG-CB 3.4Å; S166-S186 PolarHBondContact OG-N 3.42Å; S166-S186 PolarHBondContact OG-OG 3.36Å
167G87.4Confident90.6Very high8 Ų849.7 Ų49.78%0.08229%0.285CS..  trans-80.5104.3172.300000110.5C184 K247G167-C184 CarbonylContact C-O 3.58Å; G167-C184 VanDerWaalsContact CA-O 3.22Å; G167-C184 WeakPolarHBondContact CA-O 3.17Å; G167-K247 PolarHBondContact O-NZ 3.18Å
168V92.3Very high90.7Very high0 Ų049.3 Ų49.30%028%0.284CS..EExtended strand (participates in β ladder)trans-126.3121.3-173.6177.40000109.4V145 M147 V159 S166 I170 C184V145-V168 WeakPolarHBondContact O-CG1 3.36Å; M147-V168 HydrophobicContact CB-CG1 3.98Å; M147-V168 HydrophobicContact CG-CG1 3.79Å; M147-V168 HydrophobicContact SD-CG1 3.87Å; V159-V168 HydrophobicContact CG1-CG2 4.02Å; S166-V168 PolarHBondContact O-N 2.64Å; V168-I170 HydrophobicContact CG1-CD1 4.48Å; V168-C184 PolarHBondContact N-O 3.13Å; V168-C184 PolarHBondContact O-N 3.38Å
169P94.5Very high90.9Very high0 Ų050.3 Ų50.30%029%0.287CS..EExtended strand (participates in β ladder)trans-62.8144.1168.4-20.834.1000111.1V145 V146 M147 L180 L257 L260V145-P169 WeakPolarHBondContact O-CD 3.38Å; V146-P169 WeakPolarHBondContact CA-O 3.09Å; V146-P169 WeakPolarHBondContact CG1-O 3.18Å; M147-P169 PolarHBondContact N-O 3.03Å; M147-P169 VanDerWaalsContact N-O 3.15Å; P169-L180 HydrophobicContact CB-CD1 4.1Å; P169-L257 HydrophobicContact CB-CD2 3.54Å; P169-L257 HydrophobicContact CG-CD2 3.94Å; P169-L260 HydrophobicContact CG-CD1 4.02Å; P169-L260 HydrophobicContact CG-CD2 3.97Å
170I96.2Very high91.2Very high0 Ų049.7 Ų49.70%028%0.283CS..EExtended strand (participates in β ladder)trans-109121177.2-49.3-56.6000108.4M147 P149 V168 L181 G182 C184 L202 M206M147-I170 HydrophobicContact CB-CD1 3.97Å; M147-I170 CarbonylContact O-C 3.52Å; M147-I170 VanDerWaalsContact O-CA 3.26Å; M147-I170 WeakPolarHBondContact O-CA 3.37Å; P149-I170 HydrophobicContact CB-CG2 4.36Å; V168-I170 HydrophobicContact CG1-CD1 4.48Å; I170-L181 PolarHBondContact O-N 3.45Å; I170-G182 PolarHBondContact N-O 2.74Å; I170-G182 PolarHBondContact O-N 3.44Å; I170-C184 HydrophobicContact CD1-CB 4.27Å; I170-L202 HydrophobicContact CD1-CB 4.18Å; I170-L202 HydrophobicContact CD1-CD1 3.57Å; I170-L202 HydrophobicContact CD1-CG 4.48Å; I170-M206 HydrophobicContact CB-SD 3.8Å; I170-M206 HydrophobicContact CG1-CB 4.08Å; I170-M206 HydrophobicContact CG1-SD 3.89Å; I170-M206 HydrophobicContact CG2-SD 3.77Å
171T96.9Very high91.5Very high0 Ų048.6 Ų48.60%028%0.281CS..EExtended strand (participates in β ladder)trans-113.1159.2173.859.20000110.7V146 M147 S148 P149 N173 G174 A175 K179 L257V146-T171 HydrophobicContact CG1-CG2 3.54Å; V146-T171 WeakPolarHBondContact CG1-OG1 3.45Å; M147-T171 PolarHBondContact O-N 2.86Å; S148-T171 WeakPolarHBondContact CA-O 3.09Å; P149-T171 WeakPolarHBondContact CD-O 3.45Å; T171-N173 VanDerWaalsContact C-N 3.27Å; T171-N173 PolarHBondContact O-N 3.49Å; T171-N173 PolarHBondContact OG1-OD1 3.36Å; T171-G174 PolarHBondContact O-N 2.89Å; T171-G174 WeakPolarHBondContact OG1-CA 3.21Å; T171-G174 PolarHBondContact OG1-N 3.22Å; T171-G174 VanDerWaalsContact OG1-N 3.13Å; T171-A175 PolarHBondContact OG1-N 3.4Å; T171-A175 VanDerWaalsContact OG1-N 3.11Å; T171-A175 PolarHBondContact OG1-O 2.94Å; T171-K179 CarbonylContact C-O 3.56Å; T171-K179 WeakPolarHBondContact CA-O 3.36Å; T171-K179 WeakPolarHBondContact CB-O 3.48Å; T171-L257 HydrophobicContact CG2-CB 4Å; T171-L257 HydrophobicContact CG2-CD2 4.14Å
172D96.3Very high91.7Very high82 Ų8242.6 Ų42.644%0.43925%0.249SC..SBendtrans-53.4-42.4177.959.3-15.3000113.6G178 K179 L181D172-G178 VanDerWaalsContact OD1-CA 3.28Å; D172-G178 WeakPolarHBondContact OD1-CA 3.31Å; D172-K179 HydrophobicContact CB-CB 4.44Å; D172-K179 PolarHBondContact N-O 2.84Å; D172-K179 PolarHBondContact OD1-N 3.22Å; D172-L181 HydrophobicContact CB-CD1 4.03Å; D172-L181 HydrophobicContact CB-CG 4.29Å
173N94.2Very high92Very high96 Ų9635.6 Ų35.651%0.51322%0.218SC..SBendtrans-100-4-177.563.710.4000114.2T171 A175 G178T171-N173 VanDerWaalsContact C-N 3.27Å; T171-N173 PolarHBondContact O-N 3.49Å; T171-N173 PolarHBondContact OG1-OD1 3.36Å; N173-A175 VanDerWaalsContact C-N 3.27Å; N173-A175 PolarHBondContact O-N 3.49Å; N173-A175 WeakPolarHBondContact OD1-CA 3.25Å; N173-A175 PolarHBondContact OD1-N 2.91Å; N173-A175 PolarHBondContact OD1-O 3.45Å; N173-G178 WeakPolarHBondContact OD1-CA 3.5Å
174G92.9Very high92.3Very high21 Ų2131.5 Ų31.522%0.21620%0.203CC..SBendtrans71.216.1-175.200000115.3M147 T171M147-G174 VanDerWaalsContact C-CA 3.49Å; T171-G174 PolarHBondContact O-N 2.89Å; T171-G174 WeakPolarHBondContact OG1-CA 3.21Å; T171-G174 PolarHBondContact OG1-N 3.22Å; T171-G174 VanDerWaalsContact OG1-N 3.13Å
175A93.2Very high92.5Very high45 Ų4529.2 Ų29.237%0.37218%0.177SC..SBendtrans-120.8158.2176.600000112.2T171 N173 G178T171-A175 PolarHBondContact OG1-N 3.4Å; T171-A175 VanDerWaalsContact OG1-N 3.11Å; T171-A175 PolarHBondContact OG1-O 2.94Å; N173-A175 VanDerWaalsContact C-N 3.27Å; N173-A175 PolarHBondContact O-N 3.49Å; N173-A175 WeakPolarHBondContact OD1-CA 3.25Å; N173-A175 PolarHBondContact OD1-N 2.91Å; N173-A175 PolarHBondContact OD1-O 3.45Å; A175-G178 PolarHBondContact O-N 3.36Å
176V91.2Very high92.6Very high54 Ų5428.2 Ų28.233%0.32718%0.179SC..THydrogen-bonded Turntrans-63.8140.1166.5-178.20000108.5P144 V146 G178 L257P144-V176 HydrophobicContact CG-CG2 4.31Å; V146-V176 HydrophobicContact CG2-CG2 3.64Å; V176-G178 VanDerWaalsContact C-N 3.28Å; V176-L257 WeakPolarHBondContact CG1-O 3.34Å
177G92.5Very high92.7Very high46 Ų4632.5 Ų32.547%0.47420%0.195SC..THydrogen-bonded Turntrans84.8-7.2-170.200000114.5C256 L257G177-C256 WeakPolarHBondContact O-CB 3.29Å; G177-C256 PolarHBondContact O-SG 3.44Å; G177-C256 VanDerWaalsContact O-SG 3.41Å; G177-L257 PolarHBondContact N-O 3.24Å
178G94.2Very high92.6Very high3 Ų333.9 Ų33.93%0.03120%0.2CC..SBendtrans-74161166.600000112.5D172 N173 A175 V176 L180 C256 L257D172-G178 VanDerWaalsContact OD1-CA 3.28Å; D172-G178 WeakPolarHBondContact OD1-CA 3.31Å; N173-G178 WeakPolarHBondContact OD1-CA 3.5Å; A175-G178 PolarHBondContact O-N 3.36Å; V176-G178 VanDerWaalsContact C-N 3.28Å; G178-L180 PolarHBondContact O-N 2.67Å; G178-C256 VanDerWaalsContact O-CA 3.31Å; G178-C256 WeakPolarHBondContact O-CA 3.49Å; G178-L257 PolarHBondContact O-N 3.23Å
179K96.7Very high92.4Very high105 Ų10533.9 Ų33.946%0.45720%0.2SC..BIsolated β-bridgetrans-66.7128.1178.5-169.5176.3-175.1175.40109.9T171 D172 L181T171-K179 CarbonylContact C-O 3.56Å; T171-K179 WeakPolarHBondContact CA-O 3.36Å; T171-K179 WeakPolarHBondContact CB-O 3.48Å; D172-K179 HydrophobicContact CB-CB 4.44Å; D172-K179 PolarHBondContact N-O 2.84Å; D172-K179 PolarHBondContact OD1-N 3.22Å; K179-L181 PolarHBondContact O-N 3.17Å
180L96.3Very high91.9Very high1 Ų137.8 Ų37.81%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-71.1115.6-178.6-176.867.5000110.6P169 G178 G182 R209 L212 T214 P249 V251 D255 L257P169-L180 HydrophobicContact CB-CD1 4.1Å; G178-L180 PolarHBondContact O-N 2.67Å; L180-G182 WeakPolarHBondContact CD1-O 3.24Å; L180-R209 VanDerWaalsContact O-CD 3.3Å; L180-R209 WeakPolarHBondContact O-CD 3.1Å; L180-R209 WeakPolarHBondContact O-CG 3.31Å; L180-L212 HydrophobicContact CD2-CD1 4.3Å; L180-T214 HydrophobicContact CD2-CG2 3.74Å; L180-P249 HydrophobicContact CD2-CB 3.61Å; L180-P249 HydrophobicContact CD2-CG 4.01Å; L180-V251 HydrophobicContact CB-CG1 4.29Å; L180-V251 HydrophobicContact CD2-CG1 3.86Å; L180-D255 PolarHBondContact N-O 3.3Å; L180-L257 HydrophobicContact CD1-CD1 4.41Å
181L96.1Very high91.6Very high54 Ų5446.7 Ų46.728%0.28326%0.26SS..EExtended strand (participates in β ladder)trans-99.2-26.7178.6-61.1-174.1000113.1P149 I170 D172 K179 M206 R209P149-L181 HydrophobicContact CG-CD1 3.9Å; I170-L181 PolarHBondContact O-N 3.45Å; D172-L181 HydrophobicContact CB-CD1 4.03Å; D172-L181 HydrophobicContact CB-CG 4.29Å; K179-L181 PolarHBondContact O-N 3.17Å; L181-M206 HydrophobicContact CB-CE 4.23Å; L181-R209 WeakPolarHBondContact O-CB 3.32Å; L181-R209 PolarHBondContact O-N 3.48Å
182G93.9Very high91.2Very high0 Ų048.1 Ų48.10%027%0.267CS..EExtended strand (participates in β ladder)trans177.8-170.8-176.400000114.1I170 L180 I207 L212I170-G182 PolarHBondContact N-O 2.74Å; I170-G182 PolarHBondContact O-N 3.44Å; L180-G182 WeakPolarHBondContact CD1-O 3.24Å; G182-I207 CarbonylContact C-O 3.58Å; G182-I207 WeakPolarHBondContact CA-O 3.25Å; G182-L212 VanDerWaalsContact C-CD1 3.49Å
183L92.7Very high91Very high5 Ų546.7 Ų46.73%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-145.7129.7175.8-175.3144.8000109.3A185 I207 L212 K247 P249 L260L183-A185 HydrophobicContact CD2-CB 4.2Å; L183-I207 PolarHBondContact N-O 3.36Å; L183-I207 PolarHBondContact O-N 3.04Å; L183-L212 HydrophobicContact CB-CD1 3.89Å; L183-L212 HydrophobicContact CB-CD2 3.87Å; L183-K247 HydrophobicContact CD1-CB 3.98Å; L183-P249 HydrophobicContact CD1-CG 4.13Å; L183-L260 HydrophobicContact CD1-CD1 4.43Å
184C91.5Very high90.9Very high0 Ų048.7 Ų48.70%027%0.269CS..EExtended strand (participates in β ladder)trans-98.8125.9172.5-175.10000109.1G167 V168 I170G167-C184 CarbonylContact C-O 3.58Å; G167-C184 VanDerWaalsContact CA-O 3.22Å; G167-C184 WeakPolarHBondContact CA-O 3.17Å; V168-C184 PolarHBondContact N-O 3.13Å; V168-C184 PolarHBondContact O-N 3.38Å; I170-C184 HydrophobicContact CD1-CB 4.27Å
185A87Confident90.9Very high19 Ų1955 Ų5516%0.15729%0.293CS..  trans-112.1167173.800000111.2L183 R187 D188L183-A185 HydrophobicContact CD2-CB 4.2Å; A185-R187 VanDerWaalsContact C-N 3.31Å; A185-R187 HydrophobicContact CB-CG 4.47Å; A185-R187 PolarHBondContact O-N 3.2Å; A185-D188 WeakPolarHBondContact CA-OD2 3.49Å; A185-D188 WeakPolarHBondContact CB-OD2 3.47Å; A185-D188 PolarHBondContact N-OD2 3.26Å; A185-D188 WeakPolarHBondContact O-CB 3.36Å; A185-D188 PolarHBondContact O-N 2.8Å
186S84.4Confident91Very high50 Ų5058.2 Ų58.235%0.3530%0.298SS..Hα-helixtrans-49.1-50.6179.8-39.40000112.8S166 D188 V189 D190S166-S186 WeakPolarHBondContact OG-CA 3.44Å; S166-S186 WeakPolarHBondContact OG-CB 3.4Å; S166-S186 PolarHBondContact OG-N 3.42Å; S166-S186 PolarHBondContact OG-OG 3.36Å; S186-D188 PolarHBondContact O-N 3.15Å; S186-V189 WeakPolarHBondContact O-CG2 3.39Å; S186-V189 PolarHBondContact O-N 2.96Å; S186-D190 WeakPolarHBondContact O-CB 3.46Å; S186-D190 PolarHBondContact O-N 3.07Å
187R85.8Confident91.1Very high94 Ų9458.2 Ų58.236%0.35529%0.292SS..Hα-helixtrans-60.1-24.2-177.769.5179.3179.8173-3.8114.3A185 D190A185-R187 VanDerWaalsContact C-N 3.31Å; A185-R187 HydrophobicContact CB-CG 4.47Å; A185-R187 PolarHBondContact O-N 3.2Å; R187-D190 PolarHBondContact N-OD2 3.18Å
188D86.5Confident91.1Very high37 Ų3763 Ų6320%0.19830%0.302CS..Hα-helixtrans-79.2-16.3-176.8-49.8-37.8000110.5A185 S186A185-D188 WeakPolarHBondContact CA-OD2 3.49Å; A185-D188 WeakPolarHBondContact CB-OD2 3.47Å; A185-D188 PolarHBondContact N-OD2 3.26Å; A185-D188 WeakPolarHBondContact O-CB 3.36Å; A185-D188 PolarHBondContact O-N 2.8Å; S186-D188 PolarHBondContact O-N 3.15Å
189V87.7Confident91.1Very high0 Ų067 Ų670%033%0.33CS..Hα-helixtrans-119.7-18.2179.6-63.10000114.3V153 V156 M157 S186 F191 I192 V205V153-V189 HydrophobicContact CB-CG1 4.44Å; V153-V189 HydrophobicContact CG1-CB 3.84Å; V153-V189 HydrophobicContact CG1-CG1 3.87Å; V153-V189 HydrophobicContact CG2-CG1 3.98Å; V156-V189 HydrophobicContact CG1-CG2 4.3Å; M157-V189 HydrophobicContact CE-CB 3.72Å; M157-V189 HydrophobicContact CE-CG2 3.43Å; M157-V189 VanDerWaalsContact CE-CG2 3.43Å; S186-V189 WeakPolarHBondContact O-CG2 3.39Å; S186-V189 PolarHBondContact O-N 2.96Å; V189-F191 PolarHBondContact O-N 2.93Å; V189-F191 VanDerWaalsContact O-N 3.12Å; V189-I192 HydrophobicContact CB-CD1 4.39Å; V189-I192 HydrophobicContact CG1-CD1 4.3Å; V189-I192 PolarHBondContact O-N 3.45Å; V189-I192 VanDerWaalsContact O-N 3.07Å; V189-V205 HydrophobicContact CG1-CG2 4.47Å
190D84.4Confident91Very high81 Ų8163.3 Ų63.343%0.43332%0.316SS..THydrogen-bonded Turntrans-60.4-25.8-172.4-75-26.8000113.7K160 S186 R187K160-D190 IonicContact NZ-OD1 3.85Å; S186-D190 WeakPolarHBondContact O-CB 3.46Å; S186-D190 PolarHBondContact O-N 3.07Å; R187-D190 PolarHBondContact N-OD2 3.18Å
191F88.5Confident91Very high188 Ų18867.6 Ų67.683%0.82534%0.335SS*.THydrogen-bonded Turntrans-104.18.9179.9-62.1-68.4000114V189 P193V189-F191 PolarHBondContact O-N 2.93Å; V189-F191 VanDerWaalsContact O-N 3.12Å; F191-P193 WeakPolarHBondContact O-CD 3.13Å
192I90.2Very high90.9Very high29 Ų2965 Ų6515%0.14932%0.321CS..SBendtrans-84.7120.8175.8-58.5177.7000108V153 V189 K196 W197 T200 V205V153-I192 HydrophobicContact CG1-CD1 4.4Å; V153-I192 HydrophobicContact CG2-CD1 3.63Å; V189-I192 HydrophobicContact CB-CD1 4.39Å; V189-I192 HydrophobicContact CG1-CD1 4.3Å; V189-I192 PolarHBondContact O-N 3.45Å; V189-I192 VanDerWaalsContact O-N 3.07Å; I192-K196 HydrophobicContact CG2-CB 3.96Å; I192-W197 PolarHBondContact O-NE1 3.25Å; I192-T200 HydrophobicContact CD1-CG2 4.26Å; I192-V205 HydrophobicContact CD1-CB 4.46Å; I192-V205 HydrophobicContact CD1-CG1 3.69Å
193P91.7Very high90.9Very high52 Ų5267.7 Ų67.734%0.33834%0.34SS..  trans-57.1144.8178-23.633.4000112.2F191 E195 K196 W197F191-P193 WeakPolarHBondContact O-CD 3.13Å; P193-E195 VanDerWaalsContact C-N 3.25Å; P193-E195 HydrophobicContact CB-CG 4.18Å; P193-E195 VanDerWaalsContact CB-OE1 3.25Å; P193-E195 WeakPolarHBondContact CB-OE1 3.5Å; P193-E195 WeakPolarHBondContact CB-OE2 3.49Å; P193-E195 PolarHBondContact O-N 3.12Å; P193-K196 WeakPolarHBondContact O-CB 3.44Å; P193-K196 PolarHBondContact O-N 2.98Å; P193-W197 VanDerWaalsContact O-CD1 3.23Å
194E91.4Very high91Very high138 Ų13871.6 Ų71.665%0.64537%0.368SS*.G310 helixtrans-58.6-36.9-174.2-176.1167.8-178.200112.5K196 W197E194-K196 PolarHBondContact O-N 2.82Å; E194-K196 VanDerWaalsContact O-N 3.07Å; E194-W197 HydrophobicContact CB-CD2 4.29Å; E194-W197 HydrophobicContact CB-CH2 4.44Å; E194-W197 HydrophobicContact CB-CZ2 4.21Å; E194-W197 HydrophobicContact CG-CD2 4.04Å; E194-W197 HydrophobicContact CG-CE3 3.81Å; E194-W197 HydrophobicContact CG-CH2 4.07Å; E194-W197 HydrophobicContact CG-CZ2 4.3Å; E194-W197 HydrophobicContact CG-CZ3 3.82Å; E194-W197 WeakPolarHBondContact O-CB 3.49Å; E194-W197 PolarHBondContact O-N 3.42Å
195E94.1Very high91Very high154 Ų15473.1 Ų73.172%0.7238%0.377SS*.G310 helixtrans-61.1-17.3175.464.4-89.5-154.600113.9P193P193-E195 VanDerWaalsContact C-N 3.25Å; P193-E195 HydrophobicContact CB-CG 4.18Å; P193-E195 VanDerWaalsContact CB-OE1 3.25Å; P193-E195 WeakPolarHBondContact CB-OE1 3.5Å; P193-E195 WeakPolarHBondContact CB-OE2 3.49Å; P193-E195 PolarHBondContact O-N 3.12Å
196K93.5Very high91.2Very high112 Ų11273.9 Ų73.949%0.48738%0.378SS..G310 helixtrans-101.3-2.5177.3-66.2-171.2179.1179.20113.7I192 P193 E194 Q198 S199 T200I192-K196 HydrophobicContact CG2-CB 3.96Å; P193-K196 WeakPolarHBondContact O-CB 3.44Å; P193-K196 PolarHBondContact O-N 2.98Å; E194-K196 PolarHBondContact O-N 2.82Å; E194-K196 VanDerWaalsContact O-N 3.07Å; K196-Q198 VanDerWaalsContact C-N 3.3Å; K196-Q198 PolarHBondContact O-N 2.76Å; K196-S199 PolarHBondContact O-N 3.42Å; K196-S199 PolarHBondContact O-OG 3.32Å; K196-T200 WeakPolarHBondContact O-CB 3.24Å; K196-T200 PolarHBondContact O-N 2.96Å; K196-T200 PolarHBondContact O-OG1 3Å
197W93.2Very high91.6Very high54 Ų5472.3 Ų72.321%0.20537%0.365CS..THydrogen-bonded Turntrans-62.4-37.1-174.3-74.11.7000113.3T152 V153 Y154 M157 I192 P193 E194T152-W197 WeakPolarHBondContact CB-O 3.21Å; V153-W197 HydrophobicContact CB-CB 4.48Å; V153-W197 HydrophobicContact CG1-CB 4.43Å; V153-W197 HydrophobicContact CG1-CG 4.01Å; V153-W197 PolarHBondContact N-O 2.92Å; Y154-W197 HydrophobicContact CD2-CE3 4.36Å; Y154-W197 PolarHBondContact N-O 2.96Å; M157-W197 HydrophobicContact CB-CE3 4.28Å; M157-W197 HydrophobicContact CB-CZ3 4.2Å; M157-W197 HydrophobicContact CE-CZ2 4.32Å; M157-W197 HydrophobicContact CG-CD2 4.01Å; M157-W197 HydrophobicContact CG-CE3 3.92Å; M157-W197 HydrophobicContact CG-CH2 4.06Å; M157-W197 HydrophobicContact CG-CZ2 4.12Å; M157-W197 HydrophobicContact CG-CZ3 3.96Å; M157-W197 HydrophobicContact SD-CZ2 4.4Å; I192-W197 PolarHBondContact O-NE1 3.25Å; P193-W197 VanDerWaalsContact O-CD1 3.23Å; E194-W197 HydrophobicContact CB-CD2 4.29Å; E194-W197 HydrophobicContact CB-CH2 4.44Å; E194-W197 HydrophobicContact CB-CZ2 4.21Å; E194-W197 HydrophobicContact CG-CD2 4.04Å; E194-W197 HydrophobicContact CG-CE3 3.81Å; E194-W197 HydrophobicContact CG-CH2 4.07Å; E194-W197 HydrophobicContact CG-CZ2 4.3Å; E194-W197 HydrophobicContact CG-CZ3 3.82Å; E194-W197 WeakPolarHBondContact O-CB 3.49Å; E194-W197 PolarHBondContact O-N 3.42Å
198Q93.9Very high91.9Very high146 Ų14669.7 Ų69.768%0.68236%0.361SS*.THydrogen-bonded Turntrans-79.1-24.5-179.9-66.4-179.3-8.500113.4T152 Y154 K196T152-Q198 VanDerWaalsContact CG2-O 3.31Å; T152-Q198 WeakPolarHBondContact CG2-O 3.34Å; Y154-Q198 HydrophobicContact CD2-CG 4.39Å; Y154-Q198 HydrophobicContact CG-CG 4.34Å; K196-Q198 VanDerWaalsContact C-N 3.3Å; K196-Q198 PolarHBondContact O-N 2.76Å
199S94Very high92.1Very high89 Ų8970.5 Ų70.562%0.62236%0.361SS*.THydrogen-bonded Turntrans-97.2-23.8-175.956.30000113.4K196 K201K196-S199 PolarHBondContact O-N 3.42Å; K196-S199 PolarHBondContact O-OG 3.32Å; S199-K201 PolarHBondContact O-N 3.11Å
200T94.7Very high92.2Very high26 Ų2678 Ų7816%0.1640%0.396CS..  trans-84.7114.4-178.1-50.80000110.7T152 V153 I192 K196 V205T152-T200 VanDerWaalsContact CA-O 3.29Å; T152-T200 WeakPolarHBondContact CA-O 2.96Å; V153-T200 HydrophobicContact CG2-CG2 3.94Å; V153-T200 PolarHBondContact N-O 3.44Å; I192-T200 HydrophobicContact CD1-CG2 4.26Å; K196-T200 WeakPolarHBondContact O-CB 3.24Å; K196-T200 PolarHBondContact O-N 2.96Å; K196-T200 PolarHBondContact O-OG1 3Å; T200-V205 HydrophobicContact CG2-CG1 3.73Å
201K95.9Very high92.4Very high91 Ų9180.9 Ų80.940%0.39641%0.405SS..BIsolated β-bridgetrans-77151.7176.9-66.4-174.2179-175.80112.2E150 H151 S199 S203 S204E150-K201 WeakPolarHBondContact OE2-CE 3.2Å; E150-K201 IonicContact OE2-NZ 3.05Å; E150-K201 PolarHBondContact OE2-NZ 3.44Å; H151-K201 CarbonylContact O-C 3.59Å; H151-K201 WeakPolarHBondContact O-CA 3.11Å; S199-K201 PolarHBondContact O-N 3.11Å; K201-S203 VanDerWaalsContact C-N 3.25Å; K201-S203 PolarHBondContact O-N 3.09Å; K201-S204 PolarHBondContact O-N 3.44Å; K201-S204 PolarHBondContact O-OG 3.02Å
202L94.3Very high92.3Very high0 Ų072.4 Ų72.40%037%0.368CS..G310 helixtrans-65.7-29.7178.3-64.9-174.8000112.6M147 H151 V153 V156 I170 S204 V205 M206M147-L202 HydrophobicContact CB-CD1 3.8Å; M147-L202 HydrophobicContact CG-CD1 4.32Å; M147-L202 HydrophobicContact SD-CD1 3.6Å; M147-L202 VanDerWaalsContact SD-CD1 3.6Å; H151-L202 HydrophobicContact CB-CD1 3.76Å; H151-L202 HydrophobicContact CB-CG 4.22Å; H151-L202 WeakPolarHBondContact O-CG 3.22Å; H151-L202 PolarHBondContact O-N 2.92Å; V153-L202 HydrophobicContact CG2-CD2 4.47Å; V156-L202 HydrophobicContact CG2-CD1 3.75Å; V156-L202 HydrophobicContact CG2-CD2 3.56Å; V156-L202 HydrophobicContact CG2-CG 4.3Å; I170-L202 HydrophobicContact CD1-CB 4.18Å; I170-L202 HydrophobicContact CD1-CD1 3.57Å; I170-L202 HydrophobicContact CD1-CG 4.48Å; L202-S204 PolarHBondContact O-N 3.33Å; L202-V205 HydrophobicContact CD2-CG2 4.1Å; L202-V205 PolarHBondContact O-N 3.3Å; L202-V205 VanDerWaalsContact O-N 3.12Å; L202-M206 VanDerWaalsContact O-CB 3.3Å; L202-M206 WeakPolarHBondContact O-CB 3.41Å; L202-M206 WeakPolarHBondContact O-CG 3.48Å; L202-M206 PolarHBondContact O-N 3.09Å
203S94.1Very high92.3Very high57 Ų5773 Ų7340%0.39937%0.371SS..G310 helixtrans-55.9-30.917454.40000114.3P149 K201P149-S203 PolarHBondContact O-N 3.5Å; P149-S203 VanDerWaalsContact O-N 3.12Å; P149-S203 PolarHBondContact O-OG 3.38Å; K201-S203 VanDerWaalsContact C-N 3.25Å; K201-S203 PolarHBondContact O-N 3.09Å
204S93.4Very high92.2Very high87 Ų8772.2 Ų72.261%0.60837%0.365SS*.G310 helixtrans-85.6-12.9179.759.60000114.8K201 L202K201-S204 PolarHBondContact O-N 3.44Å; K201-S204 PolarHBondContact O-OG 3.02Å; L202-S204 PolarHBondContact O-N 3.33Å
205V92.1Very high92.2Very high31 Ų3166 Ų6619%0.18834%0.337CS..THydrogen-bonded Turntrans-122.7-20.2-172.1-60.20000113.6V153 V189 I192 T200 L202V153-V205 HydrophobicContact CG2-CG2 4.38Å; V189-V205 HydrophobicContact CG1-CG2 4.47Å; I192-V205 HydrophobicContact CD1-CB 4.46Å; I192-V205 HydrophobicContact CD1-CG1 3.69Å; T200-V205 HydrophobicContact CG2-CG1 3.73Å; L202-V205 HydrophobicContact CD2-CG2 4.1Å; L202-V205 PolarHBondContact O-N 3.3Å; L202-V205 VanDerWaalsContact O-N 3.12Å
206M92.4Very high92.1Very high35 Ų3565.2 Ų65.217%0.17233%0.332CS..SBendtrans-64.1152.3-179.469-179.4-17500112.3I170 L181 L202 P208I170-M206 HydrophobicContact CB-SD 3.8Å; I170-M206 HydrophobicContact CG1-CB 4.08Å; I170-M206 HydrophobicContact CG1-SD 3.89Å; I170-M206 HydrophobicContact CG2-SD 3.77Å; L181-M206 HydrophobicContact CB-CE 4.23Å; L202-M206 VanDerWaalsContact O-CB 3.3Å; L202-M206 WeakPolarHBondContact O-CB 3.41Å; L202-M206 WeakPolarHBondContact O-CG 3.48Å; L202-M206 PolarHBondContact O-N 3.09Å; M206-P208 WeakPolarHBondContact O-CD 3.3Å
207I90.9Very high91.6Very high17 Ų1762.8 Ų62.89%0.08733%0.333CS..EExtended strand (participates in β ladder)trans-71.7119.4164.6-55.7169.1000107G182 L183 K211 L212G182-I207 CarbonylContact C-O 3.58Å; G182-I207 WeakPolarHBondContact CA-O 3.25Å; L183-I207 PolarHBondContact N-O 3.36Å; L183-I207 PolarHBondContact O-N 3.04Å; I207-K211 HydrophobicContact CG2-CB 3.91Å; I207-L212 HydrophobicContact CB-CD2 3.91Å; I207-L212 HydrophobicContact CG2-CD2 3.57Å; I207-L212 HydrophobicContact CG2-CG 4.25Å
208P92.5Very high91.3Very high40 Ų4065.5 Ų65.526%0.2636%0.359SS..EExtended strand (participates in β ladder)trans-74155.4-173.433.9-39.3000111.6M206 E210 K211 L212M206-P208 WeakPolarHBondContact O-CD 3.3Å; P208-E210 WeakPolarHBondContact CB-OE2 3.39Å; P208-E210 PolarHBondContact O-N 2.91Å; P208-E210 VanDerWaalsContact O-N 3.1Å; P208-K211 HydrophobicContact CG-CB 4.42Å; P208-K211 HydrophobicContact CG-CD 3.98Å; P208-K211 HydrophobicContact CG-CG 4.12Å; P208-K211 PolarHBondContact O-N 2.88Å; P208-L212 PolarHBondContact O-N 2.88Å
209R91.7Very high90.9Very high53 Ų5359.6 Ų59.620%0.233%0.333CS..G310 helixtrans-51.3-36-172177.457.9-172.289.4-1.9114.1L180 L181 K211 L212 T214 D255L180-R209 VanDerWaalsContact O-CD 3.3Å; L180-R209 WeakPolarHBondContact O-CD 3.1Å; L180-R209 WeakPolarHBondContact O-CG 3.31Å; L181-R209 WeakPolarHBondContact O-CB 3.32Å; L181-R209 PolarHBondContact O-N 3.48Å; R209-K211 PolarHBondContact O-N 3.22Å; R209-L212 PolarHBondContact NH1-O 3.33Å; R209-L212 PolarHBondContact O-N 2.9Å; R209-L212 VanDerWaalsContact O-N 3.11Å; R209-T214 PolarHBondContact NH2-OG1 3.46Å; R209-D255 IonicContact CZ-OD1 2.66Å; R209-D255 VanDerWaalsContact CZ-OD1 3.26Å; R209-D255 IonicContact CZ-OD2 3.12Å; R209-D255 VanDerWaalsContact NE-CG 3.31Å; R209-D255 IonicContact NE-OD1 2.64Å; R209-D255 PolarHBondContact NE-OD1 3.03Å; R209-D255 IonicContact NE-OD2 2.67Å; R209-D255 PolarHBondContact NE-OD2 3.32Å; R209-D255 IonicContact NH2-OD1 3.52Å; R209-D255 PolarHBondContact NH2-OD1 3Å; R209-D255 IonicContact NH2-OD2 3.89Å
210E90.2Very high90.5Very high158 Ų15859.4 Ų59.474%0.73833%0.329SS*.G310 helixtrans-70.2-24.7-176.8-44.673-149.900112P208P208-E210 WeakPolarHBondContact CB-OE2 3.39Å; P208-E210 PolarHBondContact O-N 2.91Å; P208-E210 VanDerWaalsContact O-N 3.1Å
211K87.1Confident89.7Confident142 Ų14260.2 Ų60.262%0.61733%0.332SS*.G310 helixtrans-91.3-7175.5-62.7-176.1-176.1177.10112.1I207 P208 R209 S243I207-K211 HydrophobicContact CG2-CB 3.91Å; P208-K211 HydrophobicContact CG-CB 4.42Å; P208-K211 HydrophobicContact CG-CD 3.98Å; P208-K211 HydrophobicContact CG-CG 4.12Å; P208-K211 PolarHBondContact O-N 2.88Å; R209-K211 PolarHBondContact O-N 3.22Å; K211-S243 WeakPolarHBondContact O-CB 3.31Å; K211-S243 PolarHBondContact O-OG 2.94Å
212L87.8Confident89Confident10 Ų1060 Ų605%0.05234%0.335CS..  trans-86.5132.5-180-65.6-177.7000111.7L180 G182 L183 I207 P208 R209 T214 N245L180-L212 HydrophobicContact CD2-CD1 4.3Å; G182-L212 VanDerWaalsContact C-CD1 3.49Å; L183-L212 HydrophobicContact CB-CD1 3.89Å; L183-L212 HydrophobicContact CB-CD2 3.87Å; I207-L212 HydrophobicContact CB-CD2 3.91Å; I207-L212 HydrophobicContact CG2-CD2 3.57Å; I207-L212 HydrophobicContact CG2-CG 4.25Å; P208-L212 PolarHBondContact O-N 2.88Å; R209-L212 PolarHBondContact NH1-O 3.33Å; R209-L212 PolarHBondContact O-N 2.9Å; R209-L212 VanDerWaalsContact O-N 3.11Å; L212-T214 HydrophobicContact CB-CG2 4.44Å; L212-N245 WeakPolarHBondContact CD2-ND2 3.42Å; L212-N245 VanDerWaalsContact CD2-OD1 3.25Å; L212-N245 WeakPolarHBondContact CD2-OD1 3.47Å
213I88.6Confident88.6Confident42 Ų4261.8 Ų61.822%0.21535%0.348CS..  trans-85.9126.2166.2-53.6-179.2000107.5I227 N231 N245 L248 P249I213-I227 HydrophobicContact CG2-CG2 3.92Å; I213-N231 HydrophobicContact CD1-CB 3.49Å; I213-N231 VanDerWaalsContact CD1-CB 3.49Å; I213-N231 WeakPolarHBondContact CD1-OD1 3.31Å; I213-N245 PolarHBondContact N-ND2 3.37Å; I213-N245 PolarHBondContact O-ND2 2.97Å; I213-L248 HydrophobicContact CG2-CD1 4.25Å; I213-L248 WeakPolarHBondContact O-CD1 3.49Å; I213-P249 WeakPolarHBondContact O-CD 3.28Å
214T90.7Very high88.1Confident35 Ų3559.1 Ų59.122%0.21533%0.329CS..  trans-126.7165.7-178.656.60000109.9L180 R209 L212 P249 V251L180-T214 HydrophobicContact CD2-CG2 3.74Å; R209-T214 PolarHBondContact NH2-OG1 3.46Å; L212-T214 HydrophobicContact CB-CG2 4.44Å; T214-P249 VanDerWaalsContact CA-O 3.31Å; T214-P249 WeakPolarHBondContact CA-O 3.4Å; T214-P249 HydrophobicContact CG2-CB 4.11Å; T214-P249 HydrophobicContact CG2-CG 4.35Å; T214-V251 HydrophobicContact CG2-CG1 4.41Å
215A91.3Very high87.5Confident7 Ų755.4 Ų55.46%0.05830%0.301CS..EExtended strand (participates in β ladder)trans-131153.7170.200000110.2V219 I227 L248 P249 I250 V251A215-V219 HydrophobicContact CB-CB 4.17Å; A215-V219 HydrophobicContact CB-CG1 3.97Å; A215-V219 HydrophobicContact CB-CG2 4.2Å; A215-I227 HydrophobicContact CB-CD1 3.83Å; A215-L248 HydrophobicContact CB-CD1 4.38Å; A215-L248 HydrophobicContact CB-CD2 4.11Å; A215-L248 HydrophobicContact CB-CG 4.37Å; A215-P249 PolarHBondContact N-O 3.06Å; A215-P249 VanDerWaalsContact N-O 3.07Å; A215-I250 HydrophobicContact CB-CD1 3.82Å; A215-I250 CarbonylContact O-C 3.52Å; A215-I250 VanDerWaalsContact O-CA 3.25Å; A215-I250 WeakPolarHBondContact O-CA 3.24Å; A215-V251 PolarHBondContact O-N 3.16Å
216F91.2Very high87.1Confident138 Ų13861.7 Ų61.761%0.60532%0.322SS*.EExtended strand (participates in β ladder)trans-77.7156.6178.4-69.8-73000112.1S218 V219 V251F216-S218 PolarHBondContact O-N 3.21Å; F216-V219 VanDerWaalsContact O-CB 3.29Å; F216-V219 WeakPolarHBondContact O-CB 3.43Å; F216-V219 VanDerWaalsContact O-CG1 3.27Å; F216-V219 WeakPolarHBondContact O-CG1 3.35Å; F216-V219 PolarHBondContact O-N 2.67Å; F216-V251 CarbonylContact C-O 3.57Å; F216-V251 WeakPolarHBondContact CA-O 3.19Å
217A84.7Confident86.8Confident61 Ų6162 Ų6250%0.50432%0.324SS..THydrogen-bonded Turntrans-51.3-26.6-179.300000115.5V219 V251 I258A217-V219 PolarHBondContact O-N 2.86Å; A217-V251 PolarHBondContact N-O 2.9Å; A217-I258 HydrophobicContact CB-CD1 3.51Å
218S86.1Confident86.3Confident110 Ų11061.7 Ų61.777%0.76932%0.322SS*.THydrogen-bonded Turntrans-76.9-5.4179.356.60000114.4F216 T220F216-S218 PolarHBondContact O-N 3.21Å; S218-T220 PolarHBondContact O-N 3.37Å
219V85.7Confident85.6Confident22 Ų2264.4 Ų64.413%0.13333%0.331CS..  trans-65.6133.8-176.776.80000111.1F140 A215 F216 A217 S223 A224 I227 I250F140-V219 HydrophobicContact CE1-CG1 4.01Å; F140-V219 HydrophobicContact CZ-CG1 4.2Å; F140-V219 WeakPolarHBondContact CZ-O 3.07Å; A215-V219 HydrophobicContact CB-CB 4.17Å; A215-V219 HydrophobicContact CB-CG1 3.97Å; A215-V219 HydrophobicContact CB-CG2 4.2Å; F216-V219 VanDerWaalsContact O-CB 3.29Å; F216-V219 WeakPolarHBondContact O-CB 3.43Å; F216-V219 VanDerWaalsContact O-CG1 3.27Å; F216-V219 WeakPolarHBondContact O-CG1 3.35Å; F216-V219 PolarHBondContact O-N 2.67Å; A217-V219 PolarHBondContact O-N 2.86Å; V219-S223 WeakPolarHBondContact CG2-OG 3.38Å; V219-A224 HydrophobicContact CG1-CB 4Å; V219-A224 HydrophobicContact CG2-CB 3.81Å; V219-I227 HydrophobicContact CG2-CD1 4.21Å; V219-I250 HydrophobicContact CG1-CD1 3.85Å
220T84.6Confident85Confident86 Ų8668 Ų6853%0.52835%0.351SS..  trans-77.9156.6171.266.70000110.3S218 D222 S223 A224S218-T220 PolarHBondContact O-N 3.37Å; T220-D222 PolarHBondContact O-N 3.34Å; T220-S223 WeakPolarHBondContact CA-OG 3.42Å; T220-S223 PolarHBondContact N-OG 3.2Å; T220-S223 PolarHBondContact O-N 3.34Å; T220-S223 VanDerWaalsContact O-N 3.16Å; T220-S223 PolarHBondContact O-OG 3.04Å; T220-S223 WeakPolarHBondContact OG1-CB 3.5Å; T220-S223 PolarHBondContact OG1-N 3.47Å; T220-S223 PolarHBondContact OG1-OG 3.15Å; T220-A224 WeakPolarHBondContact O-CB 3.38Å; T220-A224 PolarHBondContact O-N 2.67Å
221L79.3Confident84.1Confident42 Ų4263.6 Ų63.622%0.2233%0.332CS..Hα-helixtrans-56.7-40.6178.8-170.264.6000112.1F140 A224 Y225 I261F140-L221 HydrophobicContact CD2-CD1 3.99Å; F140-L221 HydrophobicContact CE2-CB 3.8Å; F140-L221 HydrophobicContact CE2-CD1 3.84Å; F140-L221 HydrophobicContact CE2-CG 4.42Å; F140-L221 HydrophobicContact CZ-CB 4.4Å; F140-L221 HydrophobicContact CZ-CD1 4.35Å; L221-A224 PolarHBondContact O-N 2.87Å; L221-Y225 HydrophobicContact CD1-CD1 4.39Å; L221-Y225 HydrophobicContact CD1-CE1 3.67Å; L221-Y225 HydrophobicContact CD1-CE2 4.32Å; L221-Y225 HydrophobicContact CD2-CE2 4.11Å; L221-Y225 HydrophobicContact CG-CD2 4.38Å; L221-Y225 HydrophobicContact CG-CE1 4.04Å; L221-Y225 HydrophobicContact CG-CE2 3.8Å; L221-Y225 WeakPolarHBondContact O-CB 3.49Å; L221-Y225 WeakPolarHBondContact O-CD1 3.44Å; L221-Y225 PolarHBondContact O-N 2.98Å; L221-I261 HydrophobicContact CD1-CD1 4.26Å
222D81.3Confident82.9Confident88 Ų8860.9 Ų60.947%0.47132%0.32SS..Hα-helixtrans-70-37.1179.7-66.9-40.3000112.5T220 Y225 R226 R269T220-D222 PolarHBondContact O-N 3.34Å; D222-Y225 PolarHBondContact O-N 3.12Å; D222-R226 WeakPolarHBondContact O-CG 3.16Å; D222-R226 PolarHBondContact O-N 3.37Å; D222-R226 VanDerWaalsContact O-N 3.09Å; D222-R269 IonicContact OD1-CZ 3.57Å; D222-R269 IonicContact OD1-NH1 3.26Å; D222-R269 PolarHBondContact OD1-NH1 3.39Å; D222-R269 IonicContact OD1-NH2 2.81Å
223S85.3Confident80.9Confident37 Ų3768.6 Ų68.626%0.25935%0.353SS..Hα-helixtrans-70.2-39.6174.553.60000111.7V219 T220 Y225 R226 I227V219-S223 WeakPolarHBondContact CG2-OG 3.38Å; T220-S223 WeakPolarHBondContact CA-OG 3.42Å; T220-S223 PolarHBondContact N-OG 3.2Å; T220-S223 PolarHBondContact O-N 3.34Å; T220-S223 VanDerWaalsContact O-N 3.16Å; T220-S223 PolarHBondContact O-OG 3.04Å; T220-S223 WeakPolarHBondContact OG1-CB 3.5Å; T220-S223 PolarHBondContact OG1-N 3.47Å; T220-S223 PolarHBondContact OG1-OG 3.15Å; S223-Y225 VanDerWaalsContact C-N 3.25Å; S223-Y225 PolarHBondContact O-N 2.92Å; S223-R226 WeakPolarHBondContact O-CB 3.38Å; S223-R226 PolarHBondContact O-N 2.84Å; S223-I227 WeakPolarHBondContact O-CG1 3.37Å; S223-I227 PolarHBondContact O-N 3.49Å
224A83.9Confident78.6Confident0 Ų067.7 Ų67.70%035%0.354CS..Hα-helixtrans-63.2-34.6174.600000112V219 T220 L221 I227 L228 L248 I261V219-A224 HydrophobicContact CG1-CB 4Å; V219-A224 HydrophobicContact CG2-CB 3.81Å; T220-A224 WeakPolarHBondContact O-CB 3.38Å; T220-A224 PolarHBondContact O-N 2.67Å; L221-A224 PolarHBondContact O-N 2.87Å; A224-I227 PolarHBondContact O-N 3.36Å; A224-L228 PolarHBondContact O-N 3.41Å; A224-L228 VanDerWaalsContact O-N 3.07Å; A224-L248 HydrophobicContact CB-CD2 3.91Å; A224-L248 WeakPolarHBondContact O-CD2 3.29Å; A224-I261 HydrophobicContact CB-CD1 3.22Å
225Y80.5Confident75.7Confident10 Ų1070.9 Ų70.94%0.03937%0.374CS..Hα-helixtrans-66.1-37171-70.1-9.9000112.9L221 D222 S223 L228 Q229 I261 I266L221-Y225 HydrophobicContact CD1-CD1 4.39Å; L221-Y225 HydrophobicContact CD1-CE1 3.67Å; L221-Y225 HydrophobicContact CD1-CE2 4.32Å; L221-Y225 HydrophobicContact CD2-CE2 4.11Å; L221-Y225 HydrophobicContact CG-CD2 4.38Å; L221-Y225 HydrophobicContact CG-CE1 4.04Å; L221-Y225 HydrophobicContact CG-CE2 3.8Å; L221-Y225 WeakPolarHBondContact O-CB 3.49Å; L221-Y225 WeakPolarHBondContact O-CD1 3.44Å; L221-Y225 PolarHBondContact O-N 2.98Å; D222-Y225 PolarHBondContact O-N 3.12Å; S223-Y225 VanDerWaalsContact C-N 3.25Å; S223-Y225 PolarHBondContact O-N 2.92Å; Y225-L228 PolarHBondContact O-N 2.81Å; Y225-Q229 WeakPolarHBondContact O-CG 3.48Å; Y225-Q229 PolarHBondContact O-N 2.81Å; Y225-I261 HydrophobicContact CD1-CG2 4.09Å; Y225-I261 HydrophobicContact CE1-CG2 3.67Å; Y225-I266 HydrophobicContact CD1-CD1 3.46Å; Y225-I266 VanDerWaalsContact CD1-CD1 3.46Å; Y225-I266 HydrophobicContact CD1-CG1 3.34Å; Y225-I266 HydrophobicContact CD2-CG1 4.24Å; Y225-I266 HydrophobicContact CE1-CD1 4.05Å; Y225-I266 HydrophobicContact CE1-CG1 3.45Å; Y225-I266 VanDerWaalsContact CE1-CG1 3.45Å; Y225-I266 HydrophobicContact CE2-CG1 4.32Å; Y225-I266 HydrophobicContact CG-CD1 3.84Å; Y225-I266 HydrophobicContact CG-CG1 3.75Å
226R83.7Confident73Confident163 Ų16381.5 Ų81.562%0.61541%0.414SS*.Hα-helixtrans-63.2-45.2173.1-69.7177.1-174.2174.21.4111.5D222 S223 L228 Q229 E230D222-R226 WeakPolarHBondContact O-CG 3.16Å; D222-R226 PolarHBondContact O-N 3.37Å; D222-R226 VanDerWaalsContact O-N 3.09Å; S223-R226 WeakPolarHBondContact O-CB 3.38Å; S223-R226 PolarHBondContact O-N 2.84Å; R226-L228 VanDerWaalsContact C-N 3.32Å; R226-L228 PolarHBondContact O-N 2.91Å; R226-Q229 WeakPolarHBondContact O-CA 3.47Å; R226-Q229 WeakPolarHBondContact O-CB 3.42Å; R226-Q229 PolarHBondContact O-N 3.02Å; R226-E230 WeakPolarHBondContact O-CG 3.33Å; R226-E230 PolarHBondContact O-N 3.41Å
227I85.3Confident70.2Confident42 Ų4284.5 Ų84.522%0.21543%0.427CS..Hα-helixtrans-55.5-47.7175-63.9170.3000110.4I213 A215 V219 S223 A224 Q229 N231 L248I213-I227 HydrophobicContact CG2-CG2 3.92Å; A215-I227 HydrophobicContact CB-CD1 3.83Å; V219-I227 HydrophobicContact CG2-CD1 4.21Å; S223-I227 WeakPolarHBondContact O-CG1 3.37Å; S223-I227 PolarHBondContact O-N 3.49Å; A224-I227 PolarHBondContact O-N 3.36Å; I227-Q229 PolarHBondContact O-N 3.3Å; I227-N231 WeakPolarHBondContact O-CB 3.49Å; I227-N231 PolarHBondContact O-N 3.39Å; I227-N231 PolarHBondContact O-ND2 2.86Å; I227-L248 HydrophobicContact CB-CD2 4.19Å; I227-L248 HydrophobicContact CG2-CD1 3.91Å; I227-L248 HydrophobicContact CG2-CD2 4.09Å
228L80.4Confident67.6Low10 Ų1085.1 Ų85.15%0.05242%0.422CS..Hα-helixtrans-64.7-23.2175.9-82.9171000114.1A224 Y225 R226 L248 I261 I266A224-L228 PolarHBondContact O-N 3.41Å; A224-L228 VanDerWaalsContact O-N 3.07Å; Y225-L228 PolarHBondContact O-N 2.81Å; R226-L228 VanDerWaalsContact C-N 3.32Å; R226-L228 PolarHBondContact O-N 2.91Å; L228-L248 HydrophobicContact CD1-CB 3.93Å; L228-L248 HydrophobicContact CD1-CD2 4.47Å; L228-L248 HydrophobicContact CD2-CB 3.74Å; L228-L248 HydrophobicContact CG-CB 3.74Å; L228-L248 HydrophobicContact CG-CD2 4.11Å; L228-I261 HydrophobicContact CD1-CB 4.33Å; L228-I261 HydrophobicContact CD1-CG2 3.74Å; L228-I266 HydrophobicContact CB-CD1 3.76Å; L228-I266 HydrophobicContact CD1-CD1 3.65Å; L228-I266 HydrophobicContact CG-CD1 4.37Å
229Q77.9Confident64.9Low96 Ų9686.8 Ų86.845%0.44943%0.432SS..Hα-helixtrans-84.4-42.5178.5-73.1178.627.800112.9Y225 R226 I227 N231 K232Y225-Q229 WeakPolarHBondContact O-CG 3.48Å; Y225-Q229 PolarHBondContact O-N 2.81Å; R226-Q229 WeakPolarHBondContact O-CA 3.47Å; R226-Q229 WeakPolarHBondContact O-CB 3.42Å; R226-Q229 PolarHBondContact O-N 3.02Å; I227-Q229 PolarHBondContact O-N 3.3Å; Q229-N231 VanDerWaalsContact C-N 3.31Å; Q229-K232 WeakPolarHBondContact O-CB 3.31Å; Q229-K232 WeakPolarHBondContact O-CD 3.41Å; Q229-K232 WeakPolarHBondContact O-CG 3.48Å; Q229-K232 PolarHBondContact O-N 2.87Å
230E78.8Confident62.3Low130 Ų13090.8 Ų90.861%0.60746%0.461SS*.Hα-helixtrans-66.2-38.1179.9-71.5166.2-172.200111.1R226 K232R226-E230 WeakPolarHBondContact O-CG 3.33Å; R226-E230 PolarHBondContact O-N 3.41Å; E230-K232 PolarHBondContact O-N 3.22Å
231N72.1Confident59.8Low64 Ų6489.6 Ų89.634%0.34246%0.456SS..THydrogen-bonded Turntrans-82.124.3-179.5-65.9-62.4000114.1I213 I227 Q229I213-N231 HydrophobicContact CD1-CB 3.49Å; I213-N231 VanDerWaalsContact CD1-CB 3.49Å; I213-N231 WeakPolarHBondContact CD1-OD1 3.31Å; I227-N231 WeakPolarHBondContact O-CB 3.49Å; I227-N231 PolarHBondContact O-N 3.39Å; I227-N231 PolarHBondContact O-ND2 2.86Å; Q229-N231 VanDerWaalsContact C-N 3.31Å
232K61.1Low57.7Low86 Ų8694 Ų9437%0.37448%0.479SS..THydrogen-bonded Turntrans-83-10.4173.6-73.1176-178.1161.90113.8Q229 E230 G234Q229-K232 WeakPolarHBondContact O-CB 3.31Å; Q229-K232 WeakPolarHBondContact O-CD 3.41Å; Q229-K232 WeakPolarHBondContact O-CG 3.48Å; Q229-K232 PolarHBondContact O-N 2.87Å; E230-K232 PolarHBondContact O-N 3.22Å; K232-G234 VanDerWaalsContact C-N 3.33Å; K232-G234 PolarHBondContact O-N 3.2Å
233K46Very low55.9Low172 Ų17290.7 Ų90.775%0.74846%0.463SS*.  trans-76.976.9-170.2-67.1-174.2180179.50112.3
234G41.7Very low54.3Low23 Ų2393.6 Ų93.624%0.23747%0.469CS..  trans-93.994.8137.800000106.8K232 Y244K232-G234 VanDerWaalsContact C-N 3.33Å; K232-G234 PolarHBondContact O-N 3.2Å; G234-Y244 WeakPolarHBondContact CA-OH 3.32Å; G234-Y244 PolarHBondContact O-OH 3.14Å
235T29.1Very low53.1Low102 Ų10294.4 Ų94.463%0.62647%0.473SS*.  trans-64146171.730.80000109.6F237 D238T235-F237 PolarHBondContact O-N 3.24Å; T235-D238 PolarHBondContact O-N 2.97Å
236Y33.6Very low52.8Low229 Ų229101.4 Ų101.490%0.89850%0.5SS*.THydrogen-bonded Turntrans-55.210.7-171.4-141-100.7000116.8
237F32.9Very low52.9Low202 Ų20295.3 Ų95.389%0.88648%0.478SS*.THydrogen-bonded Turntrans-138.80.7-174.4-86.1-83.7000115.5T235T235-F237 PolarHBondContact O-N 3.24Å
238D30Very low53.1Low73 Ų7393.4 Ų93.439%0.3947%0.468SS..  trans-132.999.9173.8-170.52.3000110.9T235 S240 S241T235-D238 PolarHBondContact O-N 2.97Å; D238-S240 VanDerWaalsContact C-N 3.27Å; D238-S240 PolarHBondContact OD1-N 3.48Å; D238-S240 PolarHBondContact OD1-OG 3.39Å; D238-S241 PolarHBondContact OD2-OG 2.92Å
239C30.5Very low53.6Low146 Ų14693 Ų9399%0.98647%0.465SS*.  trans-83.42.7177.5-89.10000113.3
240S31.1Very low54.3Low105 Ų10588.5 Ų88.573%0.73444%0.444SS*.SBendtrans-109.7-7.7-164.870.50000115.8D238D238-S240 VanDerWaalsContact C-N 3.27Å; D238-S240 PolarHBondContact OD1-N 3.48Å; D238-S240 PolarHBondContact OD1-OG 3.39Å
241S30.3Very low55Low62 Ų6282.4 Ų82.443%0.43442%0.416SS..SBendtrans-150.5141.2-17667.60000114D238D238-S241 PolarHBondContact OD2-OG 2.92Å
242L35.7Very low56.1Low134 Ų13481.4 Ų81.470%0.70241%0.411SS*.SBendtrans85124.3178.5-74.587.7000119.2Y244L242-Y244 PolarHBondContact O-N 2.87Å
243S43.5Very low57.6Low18 Ų1885.7 Ų85.713%0.12643%0.432CS..  trans-68.2116.6-167.7-172.60000113.8K211 N245K211-S243 WeakPolarHBondContact O-CB 3.31Å; K211-S243 PolarHBondContact O-OG 2.94Å; S243-N245 PolarHBondContact O-N 3.45Å; S243-N245 PolarHBondContact OG-OD1 3.27Å
244Y52.7Low59.9Low99 Ų9982.7 Ų82.739%0.38843%0.425SS..  trans-72.366.5167.2-80.4-95.4000111.4G234 L242 R246G234-Y244 WeakPolarHBondContact CA-OH 3.32Å; G234-Y244 PolarHBondContact O-OH 3.14Å; L242-Y244 PolarHBondContact O-N 2.87Å; Y244-R246 PolarHBondContact O-N 3.41Å
245N58.3Low62.3Low16 Ų1683.2 Ų83.29%0.08642%0.422CS..  trans-68.194.5171.2-86.94.6000109.4L212 I213 S243 K247L212-N245 WeakPolarHBondContact CD2-ND2 3.42Å; L212-N245 VanDerWaalsContact CD2-OD1 3.25Å; L212-N245 WeakPolarHBondContact CD2-OD1 3.47Å; I213-N245 PolarHBondContact N-ND2 3.37Å; I213-N245 PolarHBondContact O-ND2 2.97Å; S243-N245 PolarHBondContact O-N 3.45Å; S243-N245 PolarHBondContact OG-OD1 3.27Å; N245-K247 WeakPolarHBondContact CB-O 3.35Å; N245-K247 PolarHBondContact O-N 3.14Å
246R73.8Confident65.5Low158 Ų15879.6 Ų79.660%0.59640%0.4SS*.SBendtrans-71.6-7.4168.1-58.1-172-151.6-136.22.6111.9Y244 R263Y244-R246 PolarHBondContact O-N 3.41Å; R246-R263 HydrophobicContact CB-CB 4.49Å; R246-R263 WeakPolarHBondContact O-CB 3.47Å; R246-R263 PolarHBondContact O-N 3.31Å
247K85.2Confident68.4Low35 Ų3568.7 Ų68.715%0.15236%0.357CS..EExtended strand (participates in β ladder)trans-131.7138.7178.3-69.4173.8163.5-139.60107.9G167 L183 N245 L260 I261 A262G167-K247 PolarHBondContact O-NZ 3.18Å; L183-K247 HydrophobicContact CD1-CB 3.98Å; N245-K247 WeakPolarHBondContact CB-O 3.35Å; N245-K247 PolarHBondContact O-N 3.14Å; K247-L260 HydrophobicContact CB-CD1 3.91Å; K247-L260 HydrophobicContact CB-CG 4.34Å; K247-L260 HydrophobicContact CD-CD2 4.07Å; K247-I261 CarbonylContact C-O 3.55Å; K247-I261 WeakPolarHBondContact CA-O 3.37Å; K247-A262 HydrophobicContact CG-CB 4.48Å
248L89.4Confident71.2Confident2 Ų262.1 Ų62.11%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-111.3104.7178.9176.467.3000108.2I213 A215 A224 I227 L228 I250 I261I213-L248 HydrophobicContact CG2-CD1 4.25Å; I213-L248 WeakPolarHBondContact O-CD1 3.49Å; A215-L248 HydrophobicContact CB-CD1 4.38Å; A215-L248 HydrophobicContact CB-CD2 4.11Å; A215-L248 HydrophobicContact CB-CG 4.37Å; A224-L248 HydrophobicContact CB-CD2 3.91Å; A224-L248 WeakPolarHBondContact O-CD2 3.29Å; I227-L248 HydrophobicContact CB-CD2 4.19Å; I227-L248 HydrophobicContact CG2-CD1 3.91Å; I227-L248 HydrophobicContact CG2-CD2 4.09Å; L228-L248 HydrophobicContact CD1-CB 3.93Å; L228-L248 HydrophobicContact CD1-CD2 4.47Å; L228-L248 HydrophobicContact CD2-CB 3.74Å; L228-L248 HydrophobicContact CG-CB 3.74Å; L228-L248 HydrophobicContact CG-CD2 4.11Å; L248-I250 HydrophobicContact CD2-CD1 4.3Å; L248-I250 HydrophobicContact CG-CD1 4.19Å; L248-I261 HydrophobicContact CB-CB 4.37Å; L248-I261 PolarHBondContact N-O 3.1Å; L248-I261 PolarHBondContact O-N 2.98Å
249P92.5Very high74.1Confident0 Ų059.1 Ų59.10%032%0.315CS..EExtended strand (participates in β ladder)trans-67.1139171.7-17.431.6000110.8L180 L183 I213 T214 A215 L257 L260L180-P249 HydrophobicContact CD2-CB 3.61Å; L180-P249 HydrophobicContact CD2-CG 4.01Å; L183-P249 HydrophobicContact CD1-CG 4.13Å; I213-P249 WeakPolarHBondContact O-CD 3.28Å; T214-P249 VanDerWaalsContact CA-O 3.31Å; T214-P249 WeakPolarHBondContact CA-O 3.4Å; T214-P249 HydrophobicContact CG2-CB 4.11Å; T214-P249 HydrophobicContact CG2-CG 4.35Å; A215-P249 PolarHBondContact N-O 3.06Å; A215-P249 VanDerWaalsContact N-O 3.07Å; P249-L257 HydrophobicContact CB-CD1 3.84Å; P249-L260 HydrophobicContact CB-CD1 4.27Å; P249-L260 HydrophobicContact CG-CD1 4.08Å
250I92.4Very high77Confident2 Ų252.2 Ų52.21%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-106.6124.1175-50-56.1000108F140 A215 V219 L248 I258 S259 I261F140-I250 HydrophobicContact CD1-CG1 4.15Å; F140-I250 HydrophobicContact CE1-CD1 4.31Å; F140-I250 HydrophobicContact CE1-CG1 4.12Å; A215-I250 HydrophobicContact CB-CD1 3.82Å; A215-I250 CarbonylContact O-C 3.52Å; A215-I250 VanDerWaalsContact O-CA 3.25Å; A215-I250 WeakPolarHBondContact O-CA 3.24Å; V219-I250 HydrophobicContact CG1-CD1 3.85Å; L248-I250 HydrophobicContact CD2-CD1 4.3Å; L248-I250 HydrophobicContact CG-CD1 4.19Å; I250-I258 PolarHBondContact O-N 3.17Å; I250-S259 VanDerWaalsContact CB-OG 3.23Å; I250-S259 WeakPolarHBondContact CB-OG 3.23Å; I250-S259 VanDerWaalsContact CG1-OG 3.25Å; I250-S259 WeakPolarHBondContact CG1-OG 3.42Å; I250-S259 PolarHBondContact N-O 3.4Å; I250-S259 PolarHBondContact O-N 3.1Å; I250-I261 HydrophobicContact CD1-CD1 4.06Å; I250-I261 HydrophobicContact CD1-CG1 4.33Å; I250-I261 HydrophobicContact CG1-CD1 4.49Å; I250-I261 HydrophobicContact CG1-CG1 4.36Å
251V93.9Very high79.6Confident2 Ų247.2 Ų47.21%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-121.2156.7-175-61.70000111.7L180 T214 A215 F216 A217 C256L180-V251 HydrophobicContact CB-CG1 4.29Å; L180-V251 HydrophobicContact CD2-CG1 3.86Å; T214-V251 HydrophobicContact CG2-CG1 4.41Å; A215-V251 PolarHBondContact O-N 3.16Å; F216-V251 CarbonylContact C-O 3.57Å; F216-V251 WeakPolarHBondContact CA-O 3.19Å; A217-V251 PolarHBondContact N-O 2.9Å; V251-C256 CarbonylContact C-O 3.59Å; V251-C256 WeakPolarHBondContact CA-O 3.38Å; V251-C256 WeakPolarHBondContact CB-O 3.16Å
252D94.1Very high82.2Confident43 Ų4344.6 Ų44.623%0.2322%0.216CC..  trans-83.7-172.2168.467.612.5000111.8N254 D255 C256 I258D252-N254 PolarHBondContact O-N 3.46Å; D252-N254 WeakPolarHBondContact OD1-CA 3.48Å; D252-N254 WeakPolarHBondContact OD1-CB 3.19Å; D252-N254 PolarHBondContact OD1-N 2.91Å; D252-D255 PolarHBondContact O-N 3.43Å; D252-D255 PolarHBondContact OD1-N 3.07Å; D252-D255 VanDerWaalsContact OD1-N 3.11Å; D252-C256 PolarHBondContact N-O 3.21Å; D252-C256 WeakPolarHBondContact OD1-CB 3.46Å; D252-C256 PolarHBondContact OD1-N 3.29Å; D252-C256 WeakPolarHBondContact OD2-CB 3.33Å; D252-I258 HydrophobicContact CB-CD1 3.63Å; D252-I258 HydrophobicContact CB-CG1 4.26Å
253E92.9Very high84.4Confident176 Ų17641.6 Ų41.682%0.82220%0.195SC*.THydrogen-bonded Turntrans-65.8-19.8175.760.2-157.1-160.700114.5
254N93.5Very high86.2Confident110 Ų11044.7 Ų44.759%0.58821%0.214SC*.THydrogen-bonded Turntrans-95.27.4177.4-61.4-56.5000112.8D252 C256D252-N254 PolarHBondContact O-N 3.46Å; D252-N254 WeakPolarHBondContact OD1-CA 3.48Å; D252-N254 WeakPolarHBondContact OD1-CB 3.19Å; D252-N254 PolarHBondContact OD1-N 2.91Å; N254-C256 PolarHBondContact O-N 3.21Å
255D93.8Very high87.6Confident34 Ų3440.4 Ų40.418%0.18220%0.197CC..SBendtrans63.626.2-174.5-155.936.1000114L180 R209 D252L180-D255 PolarHBondContact N-O 3.3Å; R209-D255 IonicContact CZ-OD1 2.66Å; R209-D255 VanDerWaalsContact CZ-OD1 3.26Å; R209-D255 IonicContact CZ-OD2 3.12Å; R209-D255 VanDerWaalsContact NE-CG 3.31Å; R209-D255 IonicContact NE-OD1 2.64Å; R209-D255 PolarHBondContact NE-OD1 3.03Å; R209-D255 IonicContact NE-OD2 2.67Å; R209-D255 PolarHBondContact NE-OD2 3.32Å; R209-D255 IonicContact NH2-OD1 3.52Å; R209-D255 PolarHBondContact NH2-OD1 3Å; R209-D255 IonicContact NH2-OD2 3.89Å; D252-D255 PolarHBondContact O-N 3.43Å; D252-D255 PolarHBondContact OD1-N 3.07Å; D252-D255 VanDerWaalsContact OD1-N 3.11Å
256C95.5Very high88.6Confident25 Ų2540.8 Ų40.817%0.16920%0.199CC..BIsolated β-bridgetrans-87.4138.6175.1-66.40000111.1G177 G178 V251 D252 N254 I258G177-C256 WeakPolarHBondContact O-CB 3.29Å; G177-C256 PolarHBondContact O-SG 3.44Å; G177-C256 VanDerWaalsContact O-SG 3.41Å; G178-C256 VanDerWaalsContact O-CA 3.31Å; G178-C256 WeakPolarHBondContact O-CA 3.49Å; V251-C256 CarbonylContact C-O 3.59Å; V251-C256 WeakPolarHBondContact CA-O 3.38Å; V251-C256 WeakPolarHBondContact CB-O 3.16Å; D252-C256 PolarHBondContact N-O 3.21Å; D252-C256 WeakPolarHBondContact OD1-CB 3.46Å; D252-C256 PolarHBondContact OD1-N 3.29Å; D252-C256 WeakPolarHBondContact OD2-CB 3.33Å; N254-C256 PolarHBondContact O-N 3.21Å; C256-I258 PolarHBondContact O-N 2.88Å
257L94.6Very high89.1Confident0 Ų038.7 Ų38.70%020%0.195CC..EExtended strand (participates in β ladder)trans-72.4118.1-177-18070.4000111.4P144 V146 P169 T171 V176 G177 G178 L180 P249 S259P144-L257 HydrophobicContact CG-CD2 4.08Å; V146-L257 HydrophobicContact CG1-CD2 4.46Å; V146-L257 HydrophobicContact CG2-CD2 3.72Å; P169-L257 HydrophobicContact CB-CD2 3.54Å; P169-L257 HydrophobicContact CG-CD2 3.94Å; T171-L257 HydrophobicContact CG2-CB 4Å; T171-L257 HydrophobicContact CG2-CD2 4.14Å; V176-L257 WeakPolarHBondContact CG1-O 3.34Å; G177-L257 PolarHBondContact N-O 3.24Å; G178-L257 PolarHBondContact O-N 3.23Å; L180-L257 HydrophobicContact CD1-CD1 4.41Å; P249-L257 HydrophobicContact CB-CD1 3.84Å; L257-S259 WeakPolarHBondContact CD1-O 3.42Å
258I92.3Very high89.1Confident65 Ų6540 Ų4033%0.33320%0.2SC..EExtended strand (participates in β ladder)trans-96.2-49.6173.9-64.5167.4000111.2A217 I250 D252 C256A217-I258 HydrophobicContact CB-CD1 3.51Å; I250-I258 PolarHBondContact O-N 3.17Å; D252-I258 HydrophobicContact CB-CD1 3.63Å; D252-I258 HydrophobicContact CB-CG1 4.26Å; C256-I258 PolarHBondContact O-N 2.88Å
259S90.4Very high88.8Confident9 Ų945.1 Ų45.16%0.06322%0.219CC..EExtended strand (participates in β ladder)trans-154.8177.2-174.467.80000112.1I141 I250 L257I141-S259 CarbonylContact O-C 3.55Å; I141-S259 WeakPolarHBondContact O-CA 3.41Å; I141-S259 WeakPolarHBondContact O-CB 3.36Å; I250-S259 VanDerWaalsContact CB-OG 3.23Å; I250-S259 WeakPolarHBondContact CB-OG 3.23Å; I250-S259 VanDerWaalsContact CG1-OG 3.25Å; I250-S259 WeakPolarHBondContact CG1-OG 3.42Å; I250-S259 PolarHBondContact N-O 3.4Å; I250-S259 PolarHBondContact O-N 3.1Å; L257-S259 WeakPolarHBondContact CD1-O 3.42Å
260L90.1Very high88.4Confident1 Ų155.2 Ų55.21%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-138.6142.1-177.6-173.873.3000110.5I141 P144 P169 L183 K247 P249I141-L260 HydrophobicContact CB-CB 4.13Å; I141-L260 WeakPolarHBondContact CB-O 3.48Å; I141-L260 HydrophobicContact CD1-CB 4.24Å; I141-L260 HydrophobicContact CD1-CD2 4.14Å; I141-L260 HydrophobicContact CD1-CG 4.32Å; I141-L260 VanDerWaalsContact CG1-O 3.23Å; I141-L260 WeakPolarHBondContact CG1-O 3.49Å; I141-L260 PolarHBondContact N-O 3.32Å; I141-L260 PolarHBondContact O-N 3.38Å; P144-L260 HydrophobicContact CB-CB 4.1Å; P144-L260 HydrophobicContact CB-CD2 4.05Å; P144-L260 HydrophobicContact CG-CB 4.22Å; P169-L260 HydrophobicContact CG-CD1 4.02Å; P169-L260 HydrophobicContact CG-CD2 3.97Å; L183-L260 HydrophobicContact CD1-CD1 4.43Å; K247-L260 HydrophobicContact CB-CD1 3.91Å; K247-L260 HydrophobicContact CB-CG 4.34Å; K247-L260 HydrophobicContact CD-CD2 4.07Å; P249-L260 HydrophobicContact CB-CD1 4.27Å; P249-L260 HydrophobicContact CG-CD1 4.08Å
261I86.9Confident88.2Confident0 Ų062.1 Ų62.10%029%0.288CS..EExtended strand (participates in β ladder)trans-117.7134.6172.1-58.6177.6000109.4F140 L221 A224 Y225 L228 K247 L248 I250F140-I261 HydrophobicContact CD1-CD1 3.75Å; F140-I261 HydrophobicContact CD1-CG1 3.77Å; F140-I261 HydrophobicContact CE1-CD1 3.47Å; F140-I261 VanDerWaalsContact CE1-CD1 3.47Å; F140-I261 HydrophobicContact CE1-CG1 4.04Å; F140-I261 HydrophobicContact CG-CG1 4.45Å; F140-I261 HydrophobicContact CZ-CD1 4.04Å; L221-I261 HydrophobicContact CD1-CD1 4.26Å; A224-I261 HydrophobicContact CB-CD1 3.22Å; Y225-I261 HydrophobicContact CD1-CG2 4.09Å; Y225-I261 HydrophobicContact CE1-CG2 3.67Å; L228-I261 HydrophobicContact CD1-CB 4.33Å; L228-I261 HydrophobicContact CD1-CG2 3.74Å; K247-I261 CarbonylContact C-O 3.55Å; K247-I261 WeakPolarHBondContact CA-O 3.37Å; L248-I261 HydrophobicContact CB-CB 4.37Å; L248-I261 PolarHBondContact N-O 3.1Å; L248-I261 PolarHBondContact O-N 2.98Å; I250-I261 HydrophobicContact CD1-CD1 4.06Å; I250-I261 HydrophobicContact CD1-CG1 4.33Å; I250-I261 HydrophobicContact CG1-CD1 4.49Å; I250-I261 HydrophobicContact CG1-CG1 4.36Å
262A84.5Confident88.1Confident7 Ų764.8 Ų64.86%0.05830%0.298CS..EExtended strand (participates in β ladder)trans-102.6136.4178.400000112.5I141 K247 T264 D265I141-A262 HydrophobicContact CD1-CB 4.49Å; K247-A262 HydrophobicContact CG-CB 4.48Å; A262-T264 WeakPolarHBondContact CB-OG1 3.25Å; A262-T264 PolarHBondContact O-N 3.46Å; A262-D265 WeakPolarHBondContact O-CB 3.41Å; A262-D265 PolarHBondContact O-N 2.84Å
263R82Confident87.8Confident71 Ų7167.7 Ų67.727%0.26832%0.319SS..Hα-helixtrans-60.6-26.3173.6-179.1175.5172.4177-1.9112.7R246 D265 I266 K267R246-R263 HydrophobicContact CB-CB 4.49Å; R246-R263 WeakPolarHBondContact O-CB 3.47Å; R246-R263 PolarHBondContact O-N 3.31Å; R263-D265 VanDerWaalsContact C-N 3.26Å; R263-D265 PolarHBondContact O-N 3.09Å; R263-I266 WeakPolarHBondContact O-CB 3.18Å; R263-I266 PolarHBondContact O-N 2.97Å; R263-K267 PolarHBondContact O-N 3.23Å; R263-K267 VanDerWaalsContact O-N 3.15Å
264T81.3Confident87.8Confident84 Ų8462.8 Ų62.852%0.51530%0.298SS..Hα-helixtrans-61.2-35.1174.545.60000112A262 I266 K267 K268A262-T264 WeakPolarHBondContact CB-OG1 3.25Å; A262-T264 PolarHBondContact O-N 3.46Å; T264-I266 VanDerWaalsContact C-N 3.34Å; T264-I266 PolarHBondContact O-N 3.05Å; T264-K267 PolarHBondContact O-N 2.98Å; T264-K268 WeakPolarHBondContact O-CG 3.47Å; T264-K268 PolarHBondContact O-N 3.01Å
265D81.5Confident87.8Confident8 Ų858.4 Ų58.44%0.04328%0.276CS..Hα-helixtrans-68.9-35.2178.5-75.511.8000111.5K137 Q138 G139 A262 R263 K268 R269K137-D265 HydrophobicContact CG-CB 4.35Å; Q138-D265 PolarHBondContact N-OD2 3.06Å; G139-D265 PolarHBondContact N-OD2 3.15Å; A262-D265 WeakPolarHBondContact O-CB 3.41Å; A262-D265 PolarHBondContact O-N 2.84Å; R263-D265 VanDerWaalsContact C-N 3.26Å; R263-D265 PolarHBondContact O-N 3.09Å; D265-K268 PolarHBondContact O-N 3.29Å; D265-R269 PolarHBondContact O-N 2.91Å
266I79.5Confident87.8Confident24 Ų2457 Ų5712%0.12327%0.268CS..Hα-helixtrans-63.4-46.2172.8-56.7177000110.4Y225 L228 R263 T264 K268 R269 R270Y225-I266 HydrophobicContact CD1-CD1 3.46Å; Y225-I266 VanDerWaalsContact CD1-CD1 3.46Å; Y225-I266 HydrophobicContact CD1-CG1 3.34Å; Y225-I266 HydrophobicContact CD2-CG1 4.24Å; Y225-I266 HydrophobicContact CE1-CD1 4.05Å; Y225-I266 HydrophobicContact CE1-CG1 3.45Å; Y225-I266 VanDerWaalsContact CE1-CG1 3.45Å; Y225-I266 HydrophobicContact CE2-CG1 4.32Å; Y225-I266 HydrophobicContact CG-CD1 3.84Å; Y225-I266 HydrophobicContact CG-CG1 3.75Å; L228-I266 HydrophobicContact CB-CD1 3.76Å; L228-I266 HydrophobicContact CD1-CD1 3.65Å; L228-I266 HydrophobicContact CG-CD1 4.37Å; R263-I266 WeakPolarHBondContact O-CB 3.18Å; R263-I266 PolarHBondContact O-N 2.97Å; T264-I266 VanDerWaalsContact C-N 3.34Å; T264-I266 PolarHBondContact O-N 3.05Å; I266-K268 VanDerWaalsContact C-N 3.34Å; I266-K268 PolarHBondContact O-N 2.84Å; I266-R269 PolarHBondContact O-N 2.99Å; I266-R270 PolarHBondContact O-N 3.02Å
267K84.1Confident87.8Confident115 Ų11558.4 Ų58.450%0.528%0.277SS..Hα-helixtrans-59.5-47.2176.7-72.4-171.4175.9-170.10110.4R263 T264 R269 R270 F271R263-K267 PolarHBondContact O-N 3.23Å; R263-K267 VanDerWaalsContact O-N 3.15Å; T264-K267 PolarHBondContact O-N 2.98Å; K267-R269 PolarHBondContact O-N 3.28Å; K267-R270 PolarHBondContact O-N 3.11Å; K267-R270 VanDerWaalsContact O-N 3.13Å; K267-F271 HydrophobicContact CB-CD2 4.24Å; K267-F271 HydrophobicContact CB-CE2 4.2Å; K267-F271 WeakPolarHBondContact O-CD2 3.42Å; K267-F271 PolarHBondContact O-N 3.04Å
268K85.7Confident87.6Confident61 Ų6159.5 Ų59.527%0.26528%0.282SS..Hα-helixtrans-57.6-47.8176.9-73176.6-178.1-175.40111.5L110 A136 T264 D265 I266 R270 F271 Y272L110-K268 HydrophobicContact CD2-CB 4.4Å; L110-K268 HydrophobicContact CD2-CD 4.48Å; A136-K268 PolarHBondContact O-NZ 3.28Å; T264-K268 WeakPolarHBondContact O-CG 3.47Å; T264-K268 PolarHBondContact O-N 3.01Å; D265-K268 PolarHBondContact O-N 3.29Å; I266-K268 VanDerWaalsContact C-N 3.34Å; I266-K268 PolarHBondContact O-N 2.84Å; K268-R270 VanDerWaalsContact C-N 3.25Å; K268-R270 PolarHBondContact O-N 3.26Å; K268-F271 PolarHBondContact O-N 3.01Å; K268-Y272 WeakPolarHBondContact O-CA 3.42Å; K268-Y272 VanDerWaalsContact O-CB 3.31Å; K268-Y272 WeakPolarHBondContact O-CB 3.44Å; K268-Y272 WeakPolarHBondContact O-CD2 3.45Å; K268-Y272 PolarHBondContact O-N 3.28Å
269R82.7Confident87.4Confident111 Ų11162.5 Ų62.542%0.41931%0.309SS..Hα-helixtrans-58.5-36.1176.5-172.8177.2-178.7-169.8-1.1112.6D222 D265 I266 K267 Y272D222-R269 IonicContact OD1-CZ 3.57Å; D222-R269 IonicContact OD1-NH1 3.26Å; D222-R269 PolarHBondContact OD1-NH1 3.39Å; D222-R269 IonicContact OD1-NH2 2.81Å; D265-R269 PolarHBondContact O-N 2.91Å; I266-R269 PolarHBondContact O-N 2.99Å; K267-R269 PolarHBondContact O-N 3.28Å; R269-Y272 CarbonylContact O-C 3.58Å
270R84.9Confident87.1Confident211 Ų21167.3 Ų67.380%0.79633%0.331SS*.Hα-helixtrans-72.4-44.3177.5-176.2178.4177.4179.1-0.5112.9I266 K267 K268I266-R270 PolarHBondContact O-N 3.02Å; K267-R270 PolarHBondContact O-N 3.11Å; K267-R270 VanDerWaalsContact O-N 3.13Å; K268-R270 VanDerWaalsContact C-N 3.25Å; K268-R270 PolarHBondContact O-N 3.26Å
271F87.3Confident87Confident148 Ų14867.8 Ų67.865%0.64934%0.336SS*.Hα-helixtrans-76.2-26.8-179.8-71.7-64.1000112.9K267 K268 P273K267-F271 HydrophobicContact CB-CD2 4.24Å; K267-F271 HydrophobicContact CB-CE2 4.2Å; K267-F271 WeakPolarHBondContact O-CD2 3.42Å; K267-F271 PolarHBondContact O-N 3.04Å; K268-F271 PolarHBondContact O-N 3.01Å; F271-P273 VanDerWaalsContact C-CD 3.47Å; F271-P273 WeakPolarHBondContact O-CD 3.45Å
272Y91.7Very high87.2Confident58 Ų5870.7 Ų70.723%0.22735%0.347CS..  trans-125.270.3-177-59.5-74.7000110.5L110 K268 R269 L274 C275 H493L110-Y272 HydrophobicContact CB-CD1 3.98Å; L110-Y272 HydrophobicContact CB-CD2 4.26Å; L110-Y272 HydrophobicContact CB-CE1 4.34Å; L110-Y272 HydrophobicContact CB-CG 3.93Å; L110-Y272 HydrophobicContact CD1-CD2 4.43Å; L110-Y272 HydrophobicContact CD1-CE2 4.27Å; L110-Y272 HydrophobicContact CD2-CD2 3.99Å; L110-Y272 HydrophobicContact CD2-CG 4.25Å; L110-Y272 HydrophobicContact CG-CD2 4.46Å; L110-Y272 WeakPolarHBondContact O-CB 3.17Å; K268-Y272 WeakPolarHBondContact O-CA 3.42Å; K268-Y272 VanDerWaalsContact O-CB 3.31Å; K268-Y272 WeakPolarHBondContact O-CB 3.44Å; K268-Y272 WeakPolarHBondContact O-CD2 3.45Å; K268-Y272 PolarHBondContact O-N 3.28Å; R269-Y272 CarbonylContact O-C 3.58Å; Y272-L274 PolarHBondContact O-N 3.19Å; Y272-C275 WeakPolarHBondContact O-CB 3.48Å; Y272-C275 PolarHBondContact O-N 2.98Å; Y272-C275 PolarHBondContact O-SG 3.43Å; Y272-H493 AromaticContact CE1-ND1 3.53Å; Y272-H493 AromaticContact CZ-CE1 3.89Å; Y272-H493 AromaticContact CZ-ND1 3.61Å; Y272-H493 PolarHBondContact OH-CE1 2.82Å; Y272-H493 PolarHBondContact OH-ND1 3.17Å; Y272-H493 VanDerWaalsContact OH-ND1 3.14Å
273P89.5Confident87.8Confident104 Ų10470.4 Ų70.468%0.67534%0.344SS*.THydrogen-bonded Turntrans-65.2-22.5-176.926.9-35.3000113.1F271 C275F271-P273 VanDerWaalsContact C-CD 3.47Å; F271-P273 WeakPolarHBondContact O-CD 3.45Å; P273-C275 VanDerWaalsContact C-N 3.34Å
274L92.5Very high88.5Confident72 Ų7267.7 Ų67.738%0.37734%0.335SS..THydrogen-bonded Turntrans-89.27179.1-59.6-178.8000113.5K88 G112 Y272 S276 I500K88-L274 HydrophobicContact CB-CB 3.99Å; K88-L274 HydrophobicContact CB-CD2 4.42Å; K88-L274 VanDerWaalsContact CB-O 3.24Å; K88-L274 WeakPolarHBondContact CB-O 3.42Å; K88-L274 HydrophobicContact CG-CB 4.5Å; K88-L274 WeakPolarHBondContact CG-O 3.25Å; G112-L274 WeakPolarHBondContact CA-O 3.49Å; Y272-L274 PolarHBondContact O-N 3.19Å; L274-S276 PolarHBondContact O-N 2.95Å; L274-I500 HydrophobicContact CD1-CD1 4.13Å
275C93.1Very high89.3Confident18 Ų1863.7 Ų63.712%0.12231%0.31CS..  trans-56.2133.7-173.167.20000113.5A109 L110 Y272 P273 V277A109-C275 CarbonylContact O-C 3.49Å; A109-C275 WeakPolarHBondContact O-CA 3.23Å; L110-C275 VanDerWaalsContact O-CA 3.3Å; L110-C275 WeakPolarHBondContact O-CA 3.37Å; L110-C275 WeakPolarHBondContact O-CB 3.43Å; Y272-C275 WeakPolarHBondContact O-CB 3.48Å; Y272-C275 PolarHBondContact O-N 2.98Å; Y272-C275 PolarHBondContact O-SG 3.43Å; P273-C275 VanDerWaalsContact C-N 3.34Å; C275-V277 PolarHBondContact O-N 3.13Å
276S94.7Very high90.2Very high4 Ų463.3 Ų63.33%0.02831%0.308CS..  trans-80.3108.9176.9-69.40000109.8A109 G112 G113 L274 L283 L284A109-S276 PolarHBondContact O-N 3.42Å; G112-S276 WeakPolarHBondContact CA-OG 3.35Å; G112-S276 PolarHBondContact O-OG 2.81Å; G113-S276 WeakPolarHBondContact O-CB 3.49Å; G113-S276 PolarHBondContact O-OG 3.45Å; L274-S276 PolarHBondContact O-N 2.95Å; S276-L283 WeakPolarHBondContact O-CA 3.43Å; S276-L284 PolarHBondContact O-N 2.75Å
277V93.5Very high91.1Very high56 Ų5662.1 Ų62.134%0.33930%0.302SS..BIsolated β-bridgetrans-128.2152.5-177.3-64.10000112.8K137 C275 R282 L283K137-V277 HydrophobicContact CD-CG1 4.28Å; C275-V277 PolarHBondContact O-N 3.13Å; V277-R282 CarbonylContact C-O 3.6Å; V277-R282 WeakPolarHBondContact CA-O 3.5Å; V277-R282 VanDerWaalsContact CB-O 3.31Å; V277-R282 WeakPolarHBondContact CB-O 3.4Å; V277-L283 HydrophobicContact CG1-CD2 4.19Å
278D92.2Very high91.7Very high22 Ų2256.7 Ų56.712%0.11828%0.279CS..  trans-76.5179.3169.769.314.9000111.9K134 Q280 G281 R282 L284K134-D278 IonicContact NZ-OD2 2.63Å; K134-D278 PolarHBondContact NZ-OD2 3.26Å; D278-Q280 PolarHBondContact O-N 2.92Å; D278-Q280 VanDerWaalsContact O-N 3.17Å; D278-Q280 WeakPolarHBondContact OD1-CA 3.29Å; D278-Q280 WeakPolarHBondContact OD1-CB 3.49Å; D278-Q280 PolarHBondContact OD1-N 3.37Å; D278-G281 PolarHBondContact O-N 3.47Å; D278-G281 PolarHBondContact OD1-N 3.47Å; D278-R282 PolarHBondContact N-O 2.8Å; D278-R282 PolarHBondContact OD1-N 2.86Å; D278-R282 IonicContact OD1-NE 3Å; D278-R282 IonicContact OD2-CZ 2.65Å; D278-R282 VanDerWaalsContact OD2-CZ 3.29Å; D278-R282 IonicContact OD2-NE 2.68Å; D278-R282 PolarHBondContact OD2-NE 2.96Å; D278-R282 IonicContact OD2-NH2 3.83Å; D278-R282 PolarHBondContact OD2-NH2 2.66Å; D278-L284 HydrophobicContact CB-CD2 3.9Å
279S87.2Confident92.3Very high129 Ų12953.8 Ų53.890%0.90227%0.266SS*.THydrogen-bonded Turntrans-62.8-18.1178.755.10000114.2
280Q85.2Confident92.8Very high110 Ų11048.6 Ų48.651%0.51425%0.247SC..THydrogen-bonded Turntrans-92.1-3.7175.9-59.9-177.8-3.900112.2D278 R282D278-Q280 PolarHBondContact O-N 2.92Å; D278-Q280 VanDerWaalsContact O-N 3.17Å; D278-Q280 WeakPolarHBondContact OD1-CA 3.29Å; D278-Q280 WeakPolarHBondContact OD1-CB 3.49Å; D278-Q280 PolarHBondContact OD1-N 3.37Å; Q280-R282 HydrophobicContact CB-CG 4.34Å
281G86.7Confident93.2Very high11 Ų1138.8 Ų38.811%0.11321%0.21CC..SBendtrans82.312.4-178.400000114.4K137 D278K137-G281 PolarHBondContact NZ-O 3.32Å; D278-G281 PolarHBondContact O-N 3.47Å; D278-G281 PolarHBondContact OD1-N 3.47Å
282R92.2Very high93.3Very high61 Ų6133.6 Ų33.623%0.2319%0.187CC..PPolyproline II helixtrans-84.2151.1173.1-53174.5-61.2-179.42.1110.3K137 Q138 V277 D278 Q280K137-R282 VanDerWaalsContact O-CA 3.24Å; K137-R282 WeakPolarHBondContact O-CA 3.41Å; Q138-R282 HydrophobicContact CG-CG 4.39Å; V277-R282 CarbonylContact C-O 3.6Å; V277-R282 WeakPolarHBondContact CA-O 3.5Å; V277-R282 VanDerWaalsContact CB-O 3.31Å; V277-R282 WeakPolarHBondContact CB-O 3.4Å; D278-R282 PolarHBondContact N-O 2.8Å; D278-R282 PolarHBondContact OD1-N 2.86Å; D278-R282 IonicContact OD1-NE 3Å; D278-R282 IonicContact OD2-CZ 2.65Å; D278-R282 VanDerWaalsContact OD2-CZ 3.29Å; D278-R282 IonicContact OD2-NE 2.68Å; D278-R282 PolarHBondContact OD2-NE 2.96Å; D278-R282 IonicContact OD2-NH2 3.83Å; D278-R282 PolarHBondContact OD2-NH2 2.66Å; Q280-R282 HydrophobicContact CB-CG 4.34Å
283L95.7Very high93.2Very high1 Ų136.9 Ų36.91%0.00520%0.204CC..BIsolated β-bridgetrans-60.1142.2177.8-64.3179000111I106 A109 L110 V133 K134 A136 K137 S276 V277I106-L283 HydrophobicContact CB-CD1 4.41Å; I106-L283 HydrophobicContact CG1-CD1 4.41Å; I106-L283 HydrophobicContact CG2-CD1 4.04Å; A109-L283 HydrophobicContact CB-CB 3.93Å; A109-L283 HydrophobicContact CB-CD1 4.26Å; A109-L283 HydrophobicContact CB-CD2 4.09Å; A109-L283 HydrophobicContact CB-CG 4.29Å; L110-L283 HydrophobicContact CD2-CD1 4.33Å; L110-L283 HydrophobicContact CD2-CD2 4.01Å; L110-L283 HydrophobicContact CG-CD1 4.14Å; L110-L283 HydrophobicContact CG-CD2 4.35Å; V133-L283 HydrophobicContact CG1-CB 4.11Å; K134-L283 WeakPolarHBondContact CD-O 3.38Å; K134-L283 WeakPolarHBondContact CE-O 3.24Å; K134-L283 PolarHBondContact NZ-O 2.62Å; A136-L283 HydrophobicContact CB-CD1 4.1Å; K137-L283 HydrophobicContact CB-CD1 4.44Å; K137-L283 HydrophobicContact CB-CD2 4.33Å; K137-L283 HydrophobicContact CB-CG 3.97Å; K137-L283 HydrophobicContact CD-CD2 4.05Å; S276-L283 WeakPolarHBondContact O-CA 3.43Å; V277-L283 HydrophobicContact CG1-CD2 4.19Å
284L97.9Very high93.1Very high13 Ų1338.4 Ų38.47%0.06820%0.202CC..PPolyproline II helixtrans-72.2139170.1-68.6178.7000110.3V85 L87 I114 S276 D278 D308V85-L284 HydrophobicContact CG1-CD1 3.84Å; L87-L284 HydrophobicContact CD2-CD1 4.21Å; I114-L284 HydrophobicContact CD1-CB 4Å; I114-L284 HydrophobicContact CG1-CB 4.37Å; S276-L284 PolarHBondContact O-N 2.75Å; D278-L284 HydrophobicContact CB-CD2 3.9Å; L284-D308 VanDerWaalsContact CA-OD2 3.32Å; L284-D308 WeakPolarHBondContact CA-OD2 3.39Å; L284-D308 HydrophobicContact CD2-CB 3.93Å
285V98.6Very high93.1Very high0 Ų035 Ų350%019%0.185CC..  trans-141.4140.7177.268.20000110.9A105 I117 V130 V133 K134 D308 V309A105-V285 HydrophobicContact CB-CG2 4.36Å; I117-V285 HydrophobicContact CD1-CG2 3.7Å; I117-V285 HydrophobicContact CG1-CG2 4.31Å; V130-V285 HydrophobicContact CG1-CG1 3.84Å; V133-V285 HydrophobicContact CB-CB 4.08Å; V133-V285 HydrophobicContact CB-CG2 3.91Å; V133-V285 HydrophobicContact CG1-CB 3.76Å; V133-V285 HydrophobicContact CG1-CG2 3.94Å; V133-V285 HydrophobicContact CG2-CG2 3.86Å; K134-V285 HydrophobicContact CD-CG1 3.62Å; K134-V285 HydrophobicContact CG-CG1 4.14Å; V285-D308 PolarHBondContact N-OD2 3.09Å; V285-D308 PolarHBondContact O-N 2.9Å; V285-V309 PolarHBondContact O-N 3.16Å
286G98.7Very high93.2Very high0 Ų036.6 Ų36.60%019%0.189CC..EExtended strand (participates in β ladder)trans-111.7161.5168.600000112.5G115 I116 I117 V309G115-G286 PolarHBondContact O-N 3.15Å; I116-G286 CarbonylContact C-O 3.53Å; I116-G286 WeakPolarHBondContact CA-O 3.36Å; I117-G286 PolarHBondContact N-O 2.67Å; G286-V309 CarbonylContact C-O 3.52Å; G286-V309 WeakPolarHBondContact CA-O 3.21Å
287A98.7Very high93.2Very high0 Ų043 Ų430%022%0.219CC..EExtended strand (participates in β ladder)trans-138.8144.1173.500000110.8V130 L302 V307 V309 V310 A311V130-A287 HydrophobicContact CG2-CB 4.2Å; A287-L302 HydrophobicContact CB-CD1 3.9Å; A287-L302 HydrophobicContact CB-CD2 3.93Å; A287-V307 HydrophobicContact CB-CG2 3.9Å; A287-V309 PolarHBondContact N-O 3.22Å; A287-V310 WeakPolarHBondContact O-CA 3.26Å; A287-A311 PolarHBondContact O-N 3.33Å
288A98.1Very high93.4Very high0 Ų040.8 Ų40.80%020%0.204CC..EExtended strand (participates in β ladder)trans-82.2149.6171.600000111.1P95 I116 I117 C119 Q126 A311 D313P95-A288 HydrophobicContact CB-CB 3.59Å; P95-A288 HydrophobicContact CG-CB 4.19Å; I116-A288 HydrophobicContact CG2-CB 4.32Å; I117-A288 PolarHBondContact O-N 2.92Å; C119-A288 HydrophobicContact CB-CB 4.4Å; C119-A288 WeakPolarHBondContact CB-O 3.1Å; Q126-A288 PolarHBondContact NE2-O 3.4Å; A288-A311 CarbonylContact C-O 3.54Å; A288-A311 WeakPolarHBondContact CA-O 3.49Å; A288-D313 HydrophobicContact CB-CB 4.23Å
289I97Very high93.6Very high0 Ų039.8 Ų39.80%020%0.199CC..EExtended strand (participates in β ladder)trans-137160.3167.664.3171.3000110.2R298 L302 V310 A311 I312 D313 L325 I329I289-R298 HydrophobicContact CG2-CG 4.34Å; I289-L302 HydrophobicContact CG2-CD1 3.68Å; I289-V310 HydrophobicContact CB-CG1 4.32Å; I289-V310 HydrophobicContact CD1-CG1 3.52Å; I289-V310 HydrophobicContact CG1-CG1 3.51Å; I289-V310 HydrophobicContact CG2-CG1 3.97Å; I289-A311 PolarHBondContact N-O 2.57Å; I289-I312 HydrophobicContact CD1-CG1 4.34Å; I289-I312 HydrophobicContact CG1-CG1 4.2Å; I289-D313 PolarHBondContact O-N 2.9Å; I289-L325 HydrophobicContact CD1-CD2 3.94Å; I289-I329 HydrophobicContact CD1-CD1 3.96Å
290S94.2Very high94.1Very high2 Ų239 Ų391%0.01418%0.179CC..  trans-82.7-178.1173.5880000111R292 S295 L325 D466S290-R292 PolarHBondContact OG-N 2.9Å; S290-S295 WeakPolarHBondContact CA-OG 3.02Å; S290-S295 PolarHBondContact N-OG 3.05Å; S290-S295 VanDerWaalsContact N-OG 3.1Å; S290-S295 PolarHBondContact O-OG 2.85Å; S290-S295 PolarHBondContact OG-OG 3.03Å; S290-L325 VanDerWaalsContact O-CD2 3.25Å; S290-L325 WeakPolarHBondContact O-CD2 3.4Å; S290-D466 PolarHBondContact OG-OD2 3.42Å; S290-D466 VanDerWaalsContact OG-OD2 3.13Å
291T93Very high94.7Very high6 Ų635.7 Ų35.74%0.03717%0.165CC..SBendtrans-95.61.9178.556.40000113.6I312 Q322T291-I312 HydrophobicContact CG2-CG2 3.56Å; T291-Q322 HydrophobicContact CG2-CB 3.87Å; T291-Q322 HydrophobicContact CG2-CG 4.33Å
292R89.3Confident95.3Very high39 Ų3935.2 Ų35.215%0.14716%0.16CC..SBendtrans-86.2167-175.2-52.4-56.3-170-174.72.8112.9S290 E294 S295 D466 H470S290-R292 PolarHBondContact OG-N 2.9Å; R292-E294 VanDerWaalsContact C-N 3.3Å; R292-E294 WeakPolarHBondContact CB-OE2 3.36Å; R292-E294 PolarHBondContact O-N 3.45Å; R292-S295 VanDerWaalsContact O-CB 3.29Å; R292-S295 WeakPolarHBondContact O-CB 3.5Å; R292-S295 PolarHBondContact O-N 2.79Å; R292-S295 VanDerWaalsContact O-N 3.1Å; R292-D466 HydrophobicContact CG-CB 3.98Å; R292-D466 WeakPolarHBondContact CG-OD1 3.05Å; R292-D466 WeakPolarHBondContact CG-OD2 3.4Å; R292-D466 IonicContact CZ-OD1 3.11Å; R292-D466 IonicContact NE-OD1 3.32Å; R292-D466 PolarHBondContact NE-OD1 3.37Å; R292-D466 IonicContact NH2-OD1 3.37Å; R292-H470 PolarHBondContact NH2-O 3.12Å
293E89.3Confident95.5Very high127 Ų12733.9 Ų33.959%0.59316%0.16SC*.THydrogen-bonded Turntrans-63.5-35.2-178.2-73.1-65.8123.100112.4S295 K296E293-S295 PolarHBondContact O-N 2.9Å; E293-S295 VanDerWaalsContact O-N 3.15Å; E293-K296 VanDerWaalsContact O-CB 3.3Å; E293-K296 WeakPolarHBondContact O-CB 3.45Å; E293-K296 WeakPolarHBondContact O-CG 3.43Å; E293-K296 PolarHBondContact O-N 3.24Å; E293-K296 IonicContact OE1-NZ 2.86Å; E293-K296 PolarHBondContact OE1-NZ 2.85Å; E293-K296 WeakPolarHBondContact OE2-CE 3.44Å; E293-K296 IonicContact OE2-NZ 2.69Å; E293-K296 PolarHBondContact OE2-NZ 3.14Å
294E88.1Confident95.6Very high135 Ų13540 Ų4063%0.63119%0.188SC*.THydrogen-bonded Turntrans-61.9-22.8176.5-59.379.6-17600112.2R292 K296 E297 R298R292-E294 VanDerWaalsContact C-N 3.3Å; R292-E294 WeakPolarHBondContact CB-OE2 3.36Å; R292-E294 PolarHBondContact O-N 3.45Å; E294-K296 PolarHBondContact O-N 3.4Å; E294-E297 PolarHBondContact O-N 3.33Å; E294-R298 PolarHBondContact O-N 2.98Å
295S91.9Very high95.5Very high2 Ų240.4 Ų40.41%0.01419%0.193CC..Hα-helixtrans-66.4-17174-76.70000113S290 R292 E293 L299S290-S295 WeakPolarHBondContact CA-OG 3.02Å; S290-S295 PolarHBondContact N-OG 3.05Å; S290-S295 VanDerWaalsContact N-OG 3.1Å; S290-S295 PolarHBondContact O-OG 2.85Å; S290-S295 PolarHBondContact OG-OG 3.03Å; R292-S295 VanDerWaalsContact O-CB 3.29Å; R292-S295 WeakPolarHBondContact O-CB 3.5Å; R292-S295 PolarHBondContact O-N 2.79Å; R292-S295 VanDerWaalsContact O-N 3.1Å; E293-S295 PolarHBondContact O-N 2.9Å; E293-S295 VanDerWaalsContact O-N 3.15Å; S295-L299 VanDerWaalsContact O-CB 3.23Å; S295-L299 WeakPolarHBondContact O-CB 3.27Å; S295-L299 PolarHBondContact O-N 3.27Å
296K95Very high95.4Very high51 Ų5141.1 Ų41.122%0.22220%0.201CC..Hα-helixtrans-67.6-39.9175-65.4178.2178166.30112.1E293 E294 L299 K300 L325 Y328E293-K296 VanDerWaalsContact O-CB 3.3Å; E293-K296 WeakPolarHBondContact O-CB 3.45Å; E293-K296 WeakPolarHBondContact O-CG 3.43Å; E293-K296 PolarHBondContact O-N 3.24Å; E293-K296 IonicContact OE1-NZ 2.86Å; E293-K296 PolarHBondContact OE1-NZ 2.85Å; E293-K296 WeakPolarHBondContact OE2-CE 3.44Å; E293-K296 IonicContact OE2-NZ 2.69Å; E293-K296 PolarHBondContact OE2-NZ 3.14Å; E294-K296 PolarHBondContact O-N 3.4Å; K296-L299 PolarHBondContact O-N 3.29Å; K296-K300 PolarHBondContact O-N 2.89Å; K296-K300 VanDerWaalsContact O-N 3.1Å; K296-L325 HydrophobicContact CG-CD1 4.49Å; K296-Y328 HydrophobicContact CB-CE1 4.17Å; K296-Y328 HydrophobicContact CD-CD1 4.3Å; K296-Y328 HydrophobicContact CD-CD2 4.43Å; K296-Y328 HydrophobicContact CD-CE1 3.91Å; K296-Y328 HydrophobicContact CD-CE2 4.02Å; K296-Y328 HydrophobicContact CG-CD1 4.12Å; K296-Y328 HydrophobicContact CG-CE1 3.64Å
297E95.3Very high95.3Very high139 Ų13941.8 Ų41.865%0.6521%0.205SC*.Hα-helixtrans-67.9-45.2174.9-176.9177.8-173.200110.8E294 L299 K300 L301E294-E297 PolarHBondContact O-N 3.33Å; E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 2.83Å; E297-K300 WeakPolarHBondContact O-CB 3.35Å; E297-K300 PolarHBondContact O-N 3.08Å; E297-L301 PolarHBondContact O-N 3.26Å
298R96.9Very high95.3Very high9 Ų943.1 Ų43.13%0.03421%0.212CC..Hα-helixtrans-55.4-46.7172.9177.3-179.6-67.7-86.1-2.6111.7C121 P123 I289 E294 K300 L301 L302 N463C121-R298 PolarHBondContact O-NH1 2.86Å; C121-R298 PolarHBondContact O-NH2 3.2Å; P123-R298 HydrophobicContact CB-CB 4.03Å; P123-R298 HydrophobicContact CB-CG 4.2Å; P123-R298 VanDerWaalsContact CD-NH2 3.31Å; P123-R298 HydrophobicContact CG-CB 4.29Å; I289-R298 HydrophobicContact CG2-CG 4.34Å; E294-R298 PolarHBondContact O-N 2.98Å; R298-K300 VanDerWaalsContact C-N 3.31Å; R298-K300 PolarHBondContact O-N 2.88Å; R298-L301 PolarHBondContact O-N 3.28Å; R298-L302 HydrophobicContact CG-CD1 3.94Å; R298-L302 HydrophobicContact CG-CG 4.35Å; R298-L302 VanDerWaalsContact O-CG 3.29Å; R298-L302 WeakPolarHBondContact O-CG 3.36Å; R298-L302 PolarHBondContact O-N 3.01Å; R298-N463 PolarHBondContact NH2-ND2 3.4Å; R298-N463 VanDerWaalsContact NH2-ND2 3.12Å
299L97.3Very high95.3Very high0 Ų043.1 Ų43.10%021%0.212CC..Hα-helixtrans-59.1-42178.6179.665000112.1S295 K296 E297 L301 L302 C303 V310 I329 Y333 L336S295-L299 VanDerWaalsContact O-CB 3.23Å; S295-L299 WeakPolarHBondContact O-CB 3.27Å; S295-L299 PolarHBondContact O-N 3.27Å; K296-L299 PolarHBondContact O-N 3.29Å; E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 2.83Å; L299-L301 VanDerWaalsContact C-N 3.35Å; L299-L301 PolarHBondContact O-N 3.09Å; L299-L302 PolarHBondContact O-N 3.28Å; L299-C303 WeakPolarHBondContact O-CB 3.22Å; L299-C303 PolarHBondContact O-N 2.83Å; L299-C303 PolarHBondContact O-SG 3.26Å; L299-V310 HydrophobicContact CD1-CG1 4.42Å; L299-V310 HydrophobicContact CD1-CG2 3.79Å; L299-I329 HydrophobicContact CD2-CB 4.45Å; L299-I329 HydrophobicContact CD2-CD1 3.95Å; L299-I329 HydrophobicContact CD2-CG1 3.55Å; L299-I329 HydrophobicContact CD2-CG2 4.31Å; L299-Y333 HydrophobicContact CD2-CD2 3.76Å; L299-Y333 HydrophobicContact CD2-CE2 3.65Å; L299-Y333 HydrophobicContact CG-CD2 4.25Å; L299-Y333 HydrophobicContact CG-CE2 3.94Å; L299-L336 HydrophobicContact CD1-CD2 3.73Å
300K97.7Very high95.4Very high112 Ų11243.1 Ų43.149%0.48721%0.212SC..Hα-helixtrans-55.3-50.6175.9-175.8-173.7174.8-171.30111.2K296 E297 R298 L302 C303 E304K296-K300 PolarHBondContact O-N 2.89Å; K296-K300 VanDerWaalsContact O-N 3.1Å; E297-K300 WeakPolarHBondContact O-CB 3.35Å; E297-K300 PolarHBondContact O-N 3.08Å; R298-K300 VanDerWaalsContact C-N 3.31Å; R298-K300 PolarHBondContact O-N 2.88Å; K300-L302 VanDerWaalsContact C-N 3.34Å; K300-L302 PolarHBondContact O-N 3.41Å; K300-C303 PolarHBondContact O-N 3.28Å; K300-E304 WeakPolarHBondContact CE-OE1 3.47Å; K300-E304 WeakPolarHBondContact O-CG 3.4Å; K300-E304 PolarHBondContact O-N 2.91Å
301L97.9Very high95.6Very high42 Ų4243.1 Ų43.122%0.2221%0.212CC..Hα-helixtrans-62.9-38.3178.5-63.4173.6000112.4P123 T124 A127 E297 R298 L299 E304 A305P123-L301 HydrophobicContact CB-CD1 3.75Å; T124-L301 HydrophobicContact CG2-CD1 4.15Å; A127-L301 HydrophobicContact CB-CB 3.92Å; E297-L301 PolarHBondContact O-N 3.26Å; R298-L301 PolarHBondContact O-N 3.28Å; L299-L301 VanDerWaalsContact C-N 3.35Å; L299-L301 PolarHBondContact O-N 3.09Å; L301-E304 PolarHBondContact O-N 2.85Å; L301-A305 WeakPolarHBondContact O-CB 3.22Å; L301-A305 PolarHBondContact O-N 3.37Å
302L98.3Very high95.8Very high0 Ų042.9 Ų42.90%021%0.211CC..Hα-helixtrans-66.3-40.4176.5-66.1170.9000112Q126 V130 A287 I289 R298 L299 K300 A305 G306 V307Q126-L302 HydrophobicContact CB-CD2 4.26Å; Q126-L302 HydrophobicContact CG-CD2 3.91Å; V130-L302 HydrophobicContact CG2-CD2 3.77Å; A287-L302 HydrophobicContact CB-CD1 3.9Å; A287-L302 HydrophobicContact CB-CD2 3.93Å; I289-L302 HydrophobicContact CG2-CD1 3.68Å; R298-L302 HydrophobicContact CG-CD1 3.94Å; R298-L302 HydrophobicContact CG-CG 4.35Å; R298-L302 VanDerWaalsContact O-CG 3.29Å; R298-L302 WeakPolarHBondContact O-CG 3.36Å; R298-L302 PolarHBondContact O-N 3.01Å; L299-L302 PolarHBondContact O-N 3.28Å; K300-L302 VanDerWaalsContact C-N 3.34Å; K300-L302 PolarHBondContact O-N 3.41Å; L302-A305 PolarHBondContact O-N 3.06Å; L302-G306 PolarHBondContact O-N 3.21Å; L302-G306 VanDerWaalsContact O-N 3.11Å; L302-V307 HydrophobicContact CB-CB 4.24Å; L302-V307 HydrophobicContact CB-CG1 3.84Å; L302-V307 WeakPolarHBondContact O-CB 3.11Å; L302-V307 WeakPolarHBondContact O-CG1 3.27Å; L302-V307 PolarHBondContact O-N 3.39Å
303C97.4Very high96.1Very high34 Ų3441.4 Ų41.423%0.2321%0.205CC..Hα-helixtrans-64-43.6174.7-71.40000111.4L299 K300 A305 G306 Y333L299-C303 WeakPolarHBondContact O-CB 3.22Å; L299-C303 PolarHBondContact O-N 2.83Å; L299-C303 PolarHBondContact O-SG 3.26Å; K300-C303 PolarHBondContact O-N 3.28Å; C303-A305 VanDerWaalsContact C-N 3.29Å; C303-A305 PolarHBondContact O-N 3.31Å; C303-G306 WeakPolarHBondContact O-CA 3.43Å; C303-G306 PolarHBondContact O-N 3.46Å; C303-Y333 HydrophobicContact CB-CD1 4.15Å; C303-Y333 HydrophobicContact CB-CE1 3.81Å; C303-Y333 VanDerWaalsContact SG-CD1 3.54Å; C303-Y333 VanDerWaalsContact SG-CE1 3.59Å
304E96.5Very high96.3Very high128 Ų12835.3 Ų35.360%0.59818%0.177SC*.Hα-helixtrans-60.3-38.1174-72.2170.6-175.400111.9K300 L301 G306K300-E304 WeakPolarHBondContact CE-OE1 3.47Å; K300-E304 WeakPolarHBondContact O-CG 3.4Å; K300-E304 PolarHBondContact O-N 2.91Å; L301-E304 PolarHBondContact O-N 2.85Å; E304-G306 PolarHBondContact O-N 3.47Å
305A96.2Very high96.3Very high22 Ų2229.5 Ų29.518%0.18215%0.151CC..Hα-helixtrans-71.8-13.3174.100000113.9A127 V130 A131 L301 L302 C303A127-A305 HydrophobicContact CB-CB 4.23Å; A127-A305 VanDerWaalsContact O-CB 3.31Å; A127-A305 WeakPolarHBondContact O-CB 3.12Å; V130-A305 HydrophobicContact CB-CB 4.04Å; V130-A305 HydrophobicContact CG1-CB 3.72Å; A131-A305 HydrophobicContact CB-CB 4.29Å; L301-A305 WeakPolarHBondContact O-CB 3.22Å; L301-A305 PolarHBondContact O-N 3.37Å; L302-A305 PolarHBondContact O-N 3.06Å; C303-A305 VanDerWaalsContact C-N 3.29Å; C303-A305 PolarHBondContact O-N 3.31Å
306G95.9Very high96.3Very high16 Ų1632 Ų3217%0.16516%0.163CC..THydrogen-bonded Turntrans8836.4176.700000115K134 L302 C303 E304K134-G306 VanDerWaalsContact CD-O 3.31Å; K134-G306 WeakPolarHBondContact CD-O 3.42Å; K134-G306 WeakPolarHBondContact CE-O 3.27Å; L302-G306 PolarHBondContact O-N 3.21Å; L302-G306 VanDerWaalsContact O-N 3.11Å; C303-G306 WeakPolarHBondContact O-CA 3.43Å; C303-G306 PolarHBondContact O-N 3.46Å; E304-G306 PolarHBondContact O-N 3.47Å
307V98.2Very high96.2Very high13 Ų1329.6 Ų29.68%0.07915%0.152CC..  trans-60.1138.7171.473.20000111.3V130 A287 L302 V309 V310 L336V130-V307 HydrophobicContact CG1-CB 4.12Å; A287-V307 HydrophobicContact CB-CG2 3.9Å; L302-V307 HydrophobicContact CB-CB 4.24Å; L302-V307 HydrophobicContact CB-CG1 3.84Å; L302-V307 WeakPolarHBondContact O-CB 3.11Å; L302-V307 WeakPolarHBondContact O-CG1 3.27Å; L302-V307 PolarHBondContact O-N 3.39Å; V307-V309 WeakPolarHBondContact CG2-O 3.36Å; V307-V310 HydrophobicContact CG1-CG2 3.98Å; V307-V310 HydrophobicContact CG2-CG2 4.28Å; V307-L336 HydrophobicContact CG1-CD1 4.02Å
308D98.2Very high96.2Very high29 Ų2925.3 Ų25.316%0.15513%0.134CC..SBendtrans-95.7-31.4-178.1-53.3-80.1000112.2K134 L284 V285K134-D308 VanDerWaalsContact NZ-CG 3.31Å; K134-D308 IonicContact NZ-OD1 3.5Å; K134-D308 PolarHBondContact NZ-OD1 3.43Å; K134-D308 IonicContact NZ-OD2 3.73Å; K134-D308 PolarHBondContact NZ-OD2 3.3Å; L284-D308 VanDerWaalsContact CA-OD2 3.32Å; L284-D308 WeakPolarHBondContact CA-OD2 3.39Å; L284-D308 HydrophobicContact CD2-CB 3.93Å; V285-D308 PolarHBondContact N-OD2 3.09Å; V285-D308 PolarHBondContact O-N 2.9Å
309V98.6Very high96.1Very high0 Ų025.7 Ų25.70%014%0.138CC..EExtended strand (participates in β ladder)trans-141.2136.6-176.7-171.20000110.8L81 T82 V85 I114 V285 G286 A287 V307 Q337 I339L81-V309 HydrophobicContact CD2-CG2 4.03Å; T82-V309 HydrophobicContact CG2-CG1 3.94Å; V85-V309 HydrophobicContact CB-CG2 4.44Å; V85-V309 HydrophobicContact CG2-CG2 3.96Å; I114-V309 HydrophobicContact CD1-CG2 4.43Å; V285-V309 PolarHBondContact O-N 3.16Å; G286-V309 CarbonylContact C-O 3.52Å; G286-V309 WeakPolarHBondContact CA-O 3.21Å; A287-V309 PolarHBondContact N-O 3.22Å; V307-V309 WeakPolarHBondContact CG2-O 3.36Å; V309-Q337 WeakPolarHBondContact CA-O 3.46Å; V309-Q337 HydrophobicContact CG1-CB 4.25Å; V309-Q337 HydrophobicContact CG2-CB 4.14Å; V309-I339 HydrophobicContact CG1-CD1 3.48Å; V309-I339 VanDerWaalsContact CG1-CD1 3.48Å; V309-I339 HydrophobicContact CG1-CG1 3.68Å
310V98.5Very high96Very high0 Ų029.2 Ų29.20%016%0.162CC..EExtended strand (participates in β ladder)trans-114.5128.9174.1172.50000110.8A287 I289 L299 V307 L336 Q337 I338 I339A287-V310 WeakPolarHBondContact O-CA 3.26Å; I289-V310 HydrophobicContact CB-CG1 4.32Å; I289-V310 HydrophobicContact CD1-CG1 3.52Å; I289-V310 HydrophobicContact CG1-CG1 3.51Å; I289-V310 HydrophobicContact CG2-CG1 3.97Å; L299-V310 HydrophobicContact CD1-CG1 4.42Å; L299-V310 HydrophobicContact CD1-CG2 3.79Å; V307-V310 HydrophobicContact CG1-CG2 3.98Å; V307-V310 HydrophobicContact CG2-CG2 4.28Å; V310-L336 HydrophobicContact CB-CD2 4.32Å; V310-L336 HydrophobicContact CG2-CD1 4.21Å; V310-L336 HydrophobicContact CG2-CD2 3.8Å; V310-L336 HydrophobicContact CG2-CG 4.37Å; V310-Q337 PolarHBondContact N-O 3.28Å; V310-I338 WeakPolarHBondContact O-CA 3.49Å; V310-I339 PolarHBondContact O-N 3.18Å
311A98.5Very high95.9Very high1 Ų129.7 Ų29.71%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-102.7118.3174.800000110.2I116 A287 A288 I289 D313 I339I116-A311 HydrophobicContact CG2-CB 3.91Å; A287-A311 PolarHBondContact O-N 3.33Å; A288-A311 CarbonylContact C-O 3.54Å; A288-A311 WeakPolarHBondContact CA-O 3.49Å; I289-A311 PolarHBondContact N-O 2.57Å; A311-D313 PolarHBondContact O-N 3.11Å; A311-I339 WeakPolarHBondContact CA-O 3.38Å; A311-I339 HydrophobicContact CB-CB 4.13Å; A311-I339 HydrophobicContact CB-CD1 4.41Å
312I97.8Very high95.9Very high2 Ų227.7 Ų27.71%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-80.6111.3176-54.2173.1000107.8I289 T291 Q322 L325 V326 I329 I338 I339I289-I312 HydrophobicContact CD1-CG1 4.34Å; I289-I312 HydrophobicContact CG1-CG1 4.2Å; T291-I312 HydrophobicContact CG2-CG2 3.56Å; I312-Q322 HydrophobicContact CB-CG 4.31Å; I312-Q322 HydrophobicContact CD1-CG 4.04Å; I312-Q322 HydrophobicContact CG2-CG 3.83Å; I312-L325 HydrophobicContact CD1-CD2 4.12Å; I312-L325 HydrophobicContact CD1-CG 4.23Å; I312-L325 HydrophobicContact CG1-CD2 4.38Å; I312-L325 HydrophobicContact CG2-CD2 4.24Å; I312-V326 HydrophobicContact CD1-CG2 3.55Å; I312-I329 HydrophobicContact CD1-CD1 4.36Å; I312-I338 HydrophobicContact CD1-CG2 3.98Å; I312-I338 HydrophobicContact CG1-CG2 4.33Å; I312-I339 PolarHBondContact N-O 3.28Å
313D94.9Very high95.8Very high7 Ų728.2 Ų28.24%0.03716%0.155CC..  trans-90.8111.3-171.9-16443000110.6A288 I289 A311 R360 R467A288-D313 HydrophobicContact CB-CB 4.23Å; I289-D313 PolarHBondContact O-N 2.9Å; A311-D313 PolarHBondContact O-N 3.11Å; D313-R360 IonicContact OD1-CZ 3.36Å; D313-R360 IonicContact OD1-NH1 2.83Å; D313-R360 PolarHBondContact OD1-NH1 3.48Å; D313-R360 IonicContact OD1-NH2 3.53Å; D313-R467 IonicContact OD1-CZ 3.96Å; D313-R467 IonicContact OD1-NE 2.74Å; D313-R467 IonicContact OD1-NH1 2.77Å; D313-R467 PolarHBondContact OD1-NH1 3.47Å; D313-R467 IonicContact OD1-NH2 3.22Å; D313-R467 VanDerWaalsContact OD2-CD 3.31Å; D313-R467 WeakPolarHBondContact OD2-CD 3.2Å; D313-R467 IonicContact OD2-CZ 2.69Å; D313-R467 IonicContact OD2-NE 3.08Å; D313-R467 IonicContact OD2-NH1 2.61Å; D313-R467 PolarHBondContact OD2-NH1 3Å
314S92.3Very high95.8Very high0 Ų030.6 Ų30.60%017%0.165CC..  trans-147.1145.2174.2-178.90000109.6Q316 N342S314-Q316 PolarHBondContact O-N 3.24Å; S314-Q316 PolarHBondContact OG-N 2.96Å; S314-Q316 PolarHBondContact OG-O 2.96Å; S314-N342 WeakPolarHBondContact O-CB 3.39Å; S314-N342 PolarHBondContact O-N 3.29Å
315S88.8Confident95.8Very high13 Ų1324.8 Ų24.89%0.09114%0.138CC..SBendtrans-66.5-29.7171.761.50000112.3R467S315-R467 PolarHBondContact N-O 3.4Å; S315-R467 PolarHBondContact OG-O 2.73Å
316Q92.2Very high95.9Very high54 Ų5423.7 Ų23.725%0.25213%0.129SC..SBendtrans-139.992.3-179.8-157.6-65.882.600109.1S314 N318 M363 F469S314-Q316 PolarHBondContact O-N 3.24Å; S314-Q316 PolarHBondContact OG-N 2.96Å; S314-Q316 PolarHBondContact OG-O 2.96Å; Q316-N318 VanDerWaalsContact C-N 3.31Å; Q316-N318 PolarHBondContact NE2-O 3.4Å; Q316-N318 PolarHBondContact O-N 2.64Å; Q316-M363 HydrophobicContact CB-CE 4.16Å; Q316-M363 HydrophobicContact CB-SD 4.42Å; Q316-M363 HydrophobicContact CG-CE 4.3Å; Q316-M363 HydrophobicContact CG-SD 4.26Å; Q316-F469 HydrophobicContact CB-CE2 4.45Å
317G93.3Very high96Very high0 Ų028.7 Ų28.70%014%0.143CC..  trans-73.9-13.5-168.400000116.1S319 Q322 G341 N342G317-S319 VanDerWaalsContact C-N 3.28Å; G317-S319 PolarHBondContact O-N 3.35Å; G317-Q322 WeakPolarHBondContact O-CB 3.44Å; G317-Q322 PolarHBondContact O-NE2 3.3Å; G317-G341 VanDerWaalsContact CA-O 3.27Å; G317-G341 WeakPolarHBondContact CA-O 3.47Å; G317-N342 PolarHBondContact N-O 2.94Å
318N95.5Very high96Very high49 Ų4931.3 Ų31.326%0.26215%0.152SC..  trans-78.778178-170.831.1000111.1Q316 Q347 N350Q316-N318 VanDerWaalsContact C-N 3.31Å; Q316-N318 PolarHBondContact NE2-O 3.4Å; Q316-N318 PolarHBondContact O-N 2.64Å; N318-Q347 HydrophobicContact CB-CB 3.64Å; N318-Q347 HydrophobicContact CB-CG 3.38Å; N318-N350 WeakPolarHBondContact OD1-CB 3.24Å; N318-N350 PolarHBondContact OD1-ND2 2.71Å
319S94.8Very high96Very high18 Ų1829.9 Ų29.913%0.12615%0.145CC..SBendtrans-132.7157.2174.8640000110.6G317 Y321 Q322 C323G317-S319 VanDerWaalsContact C-N 3.28Å; G317-S319 PolarHBondContact O-N 3.35Å; S319-Y321 VanDerWaalsContact C-N 3.28Å; S319-Y321 PolarHBondContact O-N 2.97Å; S319-Q322 PolarHBondContact O-N 3.14Å; S319-Q322 PolarHBondContact OG-N 3.31Å; S319-C323 PolarHBondContact O-N 3.4Å; S319-C323 VanDerWaalsContact O-N 3.1Å; S319-C323 PolarHBondContact O-SG 3.31Å
320C94.7Very high95.9Very high74 Ų7432.7 Ų32.750%0.516%0.157SC..Hα-helixtrans-56.6-45.7170.649.40000110.8Q322 C323 D324C320-Q322 VanDerWaalsContact C-N 3.35Å; C320-Q322 PolarHBondContact O-N 2.81Å; C320-C323 PolarHBondContact O-N 3.46Å; C320-C323 VanDerWaalsContact O-N 3.08Å; C320-D324 WeakPolarHBondContact O-CB 3.41Å; C320-D324 PolarHBondContact O-N 3.05Å; C320-D324 VanDerWaalsContact O-OD2 3.12Å
321Y95.4Very high95.9Very high121 Ų12140.5 Ų40.548%0.47519%0.191SC..Hα-helixtrans-51.5-49.7179.1-47.3-63.6000112.6S319 L325 F469S319-Y321 VanDerWaalsContact C-N 3.28Å; S319-Y321 PolarHBondContact O-N 2.97Å; Y321-L325 VanDerWaalsContact O-CB 3.31Å; Y321-L325 WeakPolarHBondContact O-CB 3.47Å; Y321-L325 PolarHBondContact O-N 3.42Å; Y321-F469 HydrophobicContact CD2-CE1 4.22Å
322Q97.1Very high95.8Very high0 Ų045 Ų450%021%0.211CC..Hα-helixtrans-69.8-41.2178.8-173.3164.1153.300112.2T291 I312 G317 S319 C320 D324 L325 V326 G341 L351T291-Q322 HydrophobicContact CG2-CB 3.87Å; T291-Q322 HydrophobicContact CG2-CG 4.33Å; I312-Q322 HydrophobicContact CB-CG 4.31Å; I312-Q322 HydrophobicContact CD1-CG 4.04Å; I312-Q322 HydrophobicContact CG2-CG 3.83Å; G317-Q322 WeakPolarHBondContact O-CB 3.44Å; G317-Q322 PolarHBondContact O-NE2 3.3Å; S319-Q322 PolarHBondContact O-N 3.14Å; S319-Q322 PolarHBondContact OG-N 3.31Å; C320-Q322 VanDerWaalsContact C-N 3.35Å; C320-Q322 PolarHBondContact O-N 2.81Å; Q322-D324 VanDerWaalsContact C-N 3.33Å; Q322-D324 PolarHBondContact O-N 3.15Å; Q322-L325 PolarHBondContact O-N 2.95Å; Q322-V326 HydrophobicContact CG-CG2 4.37Å; Q322-V326 VanDerWaalsContact O-CG2 3.26Å; Q322-V326 WeakPolarHBondContact O-CG2 3.43Å; Q322-V326 PolarHBondContact O-N 3.41Å; Q322-G341 PolarHBondContact NE2-O 3.24Å; Q322-G341 PolarHBondContact OE1-O 2.81Å; Q322-L351 HydrophobicContact CB-CD2 4.49Å; Q322-L351 HydrophobicContact CG-CD2 4Å
323C97.1Very high95.8Very high12 Ų1247.5 Ų47.58%0.08122%0.221CC..Hα-helixtrans-62.6-41.3178.2-66.40000112.1S319 C320 R327 A354S319-C323 PolarHBondContact O-N 3.4Å; S319-C323 VanDerWaalsContact O-N 3.1Å; S319-C323 PolarHBondContact O-SG 3.31Å; C320-C323 PolarHBondContact O-N 3.46Å; C320-C323 VanDerWaalsContact O-N 3.08Å; C323-R327 WeakPolarHBondContact O-CG 3.49Å; C323-R327 PolarHBondContact O-N 3.36Å; C323-R327 VanDerWaalsContact O-N 3.14Å; C323-A354 HydrophobicContact CB-CB 4.17Å
324D97Very high95.8Very high83 Ų8351.2 Ų51.244%0.44425%0.246SC..Hα-helixtrans-65.1-43.5175.6-71.1-37.1000111.1C320 Q322 R327 Y328C320-D324 WeakPolarHBondContact O-CB 3.41Å; C320-D324 PolarHBondContact O-N 3.05Å; C320-D324 VanDerWaalsContact O-OD2 3.12Å; Q322-D324 VanDerWaalsContact C-N 3.33Å; Q322-D324 PolarHBondContact O-N 3.15Å; D324-R327 PolarHBondContact O-N 3.33Å; D324-R327 IonicContact OD1-CZ 3.77Å; D324-R327 IonicContact OD1-NE 3.67Å; D324-R327 IonicContact OD1-NH2 3.76Å; D324-R327 PolarHBondContact OD1-NH2 2.98Å; D324-Y328 WeakPolarHBondContact O-CB 3.45Å; D324-Y328 PolarHBondContact O-N 2.94Å
325L97.2Very high96Very high6 Ų659 Ų593%0.03129%0.286CS..Hα-helixtrans-63-44.4176.3-176.659.7000111.8I289 S290 K296 I312 Y321 Q322 R327 Y328 I329I289-L325 HydrophobicContact CD1-CD2 3.94Å; S290-L325 VanDerWaalsContact O-CD2 3.25Å; S290-L325 WeakPolarHBondContact O-CD2 3.4Å; K296-L325 HydrophobicContact CG-CD1 4.49Å; I312-L325 HydrophobicContact CD1-CD2 4.12Å; I312-L325 HydrophobicContact CD1-CG 4.23Å; I312-L325 HydrophobicContact CG1-CD2 4.38Å; I312-L325 HydrophobicContact CG2-CD2 4.24Å; Y321-L325 VanDerWaalsContact O-CB 3.31Å; Y321-L325 WeakPolarHBondContact O-CB 3.47Å; Y321-L325 PolarHBondContact O-N 3.42Å; Q322-L325 PolarHBondContact O-N 2.95Å; L325-R327 VanDerWaalsContact C-N 3.33Å; L325-R327 PolarHBondContact O-N 2.91Å; L325-Y328 HydrophobicContact CD1-CD1 4.24Å; L325-Y328 WeakPolarHBondContact O-CB 3.44Å; L325-Y328 PolarHBondContact O-N 2.87Å; L325-I329 HydrophobicContact CD1-CD1 4.15Å; L325-I329 HydrophobicContact CD1-CG1 4.16Å; L325-I329 HydrophobicContact CG-CD1 3.97Å; L325-I329 HydrophobicContact CG-CG1 4.38Å; L325-I329 VanDerWaalsContact O-CG1 3.25Å; L325-I329 WeakPolarHBondContact O-CG1 3.28Å; L325-I329 PolarHBondContact O-N 3.29Å
326V97.7Very high96.4Very high0 Ų059 Ų590%029%0.286CS..Hα-helixtrans-56.8-48175.2172.70000110.5I312 Q322 Y328 I329 K330 I338 A340 A354I312-V326 HydrophobicContact CD1-CG2 3.55Å; Q322-V326 HydrophobicContact CG-CG2 4.37Å; Q322-V326 VanDerWaalsContact O-CG2 3.26Å; Q322-V326 WeakPolarHBondContact O-CG2 3.43Å; Q322-V326 PolarHBondContact O-N 3.41Å; V326-Y328 VanDerWaalsContact C-N 3.34Å; V326-Y328 PolarHBondContact O-N 3.23Å; V326-I329 PolarHBondContact O-N 3.1Å; V326-K330 HydrophobicContact CG1-CG 4.5Å; V326-K330 WeakPolarHBondContact O-CG 3.42Å; V326-K330 PolarHBondContact O-N 3.43Å; V326-I338 HydrophobicContact CG1-CD1 4.2Å; V326-I338 HydrophobicContact CG2-CG2 4.3Å; V326-A340 HydrophobicContact CG2-CB 4.31Å; V326-A354 HydrophobicContact CB-CB 4.14Å; V326-A354 HydrophobicContact CG1-CB 4.02Å; V326-A354 WeakPolarHBondContact CG1-O 3.17Å
327R97.8Very high96.7Very high121 Ų12157.7 Ų57.746%0.45728%0.279SS..Hα-helixtrans-59.9-43.4177.4-76.1-175.1-75.5-89.17.5112.4C323 D324 L325 K331C323-R327 WeakPolarHBondContact O-CG 3.49Å; C323-R327 PolarHBondContact O-N 3.36Å; C323-R327 VanDerWaalsContact O-N 3.14Å; D324-R327 PolarHBondContact O-N 3.33Å; D324-R327 IonicContact OD1-CZ 3.77Å; D324-R327 IonicContact OD1-NE 3.67Å; D324-R327 IonicContact OD1-NH2 3.76Å; D324-R327 PolarHBondContact OD1-NH2 2.98Å; L325-R327 VanDerWaalsContact C-N 3.33Å; L325-R327 PolarHBondContact O-N 2.91Å; R327-K331 PolarHBondContact O-N 3.34Å
328Y97.9Very high96.9Very high67 Ų6757.7 Ų57.726%0.26328%0.279SS..Hα-helixtrans-59.5-49.3176171.4-94000111.5K296 D324 L325 V326 K330 K331 E332K296-Y328 HydrophobicContact CB-CE1 4.17Å; K296-Y328 HydrophobicContact CD-CD1 4.3Å; K296-Y328 HydrophobicContact CD-CD2 4.43Å; K296-Y328 HydrophobicContact CD-CE1 3.91Å; K296-Y328 HydrophobicContact CD-CE2 4.02Å; K296-Y328 HydrophobicContact CG-CD1 4.12Å; K296-Y328 HydrophobicContact CG-CE1 3.64Å; D324-Y328 WeakPolarHBondContact O-CB 3.45Å; D324-Y328 PolarHBondContact O-N 2.94Å; L325-Y328 HydrophobicContact CD1-CD1 4.24Å; L325-Y328 WeakPolarHBondContact O-CB 3.44Å; L325-Y328 PolarHBondContact O-N 2.87Å; V326-Y328 VanDerWaalsContact C-N 3.34Å; V326-Y328 PolarHBondContact O-N 3.23Å; Y328-K330 PolarHBondContact O-N 2.88Å; Y328-K331 WeakPolarHBondContact O-CB 3.45Å; Y328-K331 PolarHBondContact O-N 2.99Å; Y328-K331 VanDerWaalsContact O-N 3.15Å; Y328-E332 HydrophobicContact CD2-CG 4.01Å; Y328-E332 HydrophobicContact CE1-CG 4.21Å; Y328-E332 HydrophobicContact CE2-CG 3.6Å; Y328-E332 HydrophobicContact CG-CG 4.49Å; Y328-E332 PolarHBondContact O-N 2.93Å
329I97.9Very high97.1Very high0 Ų055.4 Ų55.40%027%0.267CS..Hα-helixtrans-62.9-44.4-178.9-61.4174.1000111I289 L299 I312 L325 V326 K331 E332 Y333 L336 I338I289-I329 HydrophobicContact CD1-CD1 3.96Å; L299-I329 HydrophobicContact CD2-CB 4.45Å; L299-I329 HydrophobicContact CD2-CD1 3.95Å; L299-I329 HydrophobicContact CD2-CG1 3.55Å; L299-I329 HydrophobicContact CD2-CG2 4.31Å; I312-I329 HydrophobicContact CD1-CD1 4.36Å; L325-I329 HydrophobicContact CD1-CD1 4.15Å; L325-I329 HydrophobicContact CD1-CG1 4.16Å; L325-I329 HydrophobicContact CG-CD1 3.97Å; L325-I329 HydrophobicContact CG-CG1 4.38Å; L325-I329 VanDerWaalsContact O-CG1 3.25Å; L325-I329 WeakPolarHBondContact O-CG1 3.28Å; L325-I329 PolarHBondContact O-N 3.29Å; V326-I329 PolarHBondContact O-N 3.1Å; I329-K331 PolarHBondContact O-N 2.83Å; I329-E332 PolarHBondContact O-N 3.29Å; I329-Y333 CarbonylContact O-C 3.58Å; I329-Y333 WeakPolarHBondContact O-CA 3.42Å; I329-Y333 PolarHBondContact O-N 2.95Å; I329-L336 HydrophobicContact CG2-CD2 3.91Å; I329-I338 HydrophobicContact CB-CD1 3.57Å; I329-I338 HydrophobicContact CB-CG1 4.38Å; I329-I338 HydrophobicContact CD1-CD1 4.45Å; I329-I338 HydrophobicContact CG2-CD1 3.47Å; I329-I338 VanDerWaalsContact CG2-CD1 3.47Å; I329-I338 HydrophobicContact CG2-CG1 3.8Å
330K97.5Very high97.3Very high59 Ų5954.5 Ų54.526%0.25726%0.261SS..Hα-helixtrans-62.1-29.3177.8-66.1-55.4-65.4-175.50112.9V326 Y328 P334 I338 D357V326-K330 HydrophobicContact CG1-CG 4.5Å; V326-K330 WeakPolarHBondContact O-CG 3.42Å; V326-K330 PolarHBondContact O-N 3.43Å; Y328-K330 PolarHBondContact O-N 2.88Å; K330-P334 WeakPolarHBondContact O-CA 3.46Å; K330-I338 HydrophobicContact CD-CD1 3.42Å; K330-I338 VanDerWaalsContact CD-CD1 3.42Å; K330-I338 HydrophobicContact CD-CG1 4.2Å; K330-I338 HydrophobicContact CG-CD1 3.75Å; K330-D357 IonicContact NZ-OD1 3.88Å; K330-D357 PolarHBondContact NZ-OD1 3.1Å; K330-D357 VanDerWaalsContact NZ-OD1 3.12Å; K330-D357 IonicContact NZ-OD2 2.84Å; K330-D357 PolarHBondContact NZ-OD2 3.22Å
331K97.7Very high97.3Very high163 Ų16351 Ų5171%0.70924%0.237SC*.Hα-helixtrans-76.7-51.8176.8-177.8-173.7170.8-168.20112.1R327 Y328 I329R327-K331 PolarHBondContact O-N 3.34Å; Y328-K331 WeakPolarHBondContact O-CB 3.45Å; Y328-K331 PolarHBondContact O-N 2.99Å; Y328-K331 VanDerWaalsContact O-N 3.15Å; I329-K331 PolarHBondContact O-N 2.83Å
332E97.5Very high97.4Very high95 Ų9545.6 Ų45.644%0.44422%0.217SC..Hα-helixtrans-80.6-33.2-173.5-61.5-59.7128.400112.8Y328 I329Y328-E332 HydrophobicContact CD2-CG 4.01Å; Y328-E332 HydrophobicContact CE1-CG 4.21Å; Y328-E332 HydrophobicContact CE2-CG 3.6Å; Y328-E332 HydrophobicContact CG-CG 4.49Å; Y328-E332 PolarHBondContact O-N 2.93Å; I329-E332 PolarHBondContact O-N 3.29Å
333Y97.3Very high97.4Very high56 Ų5645.7 Ų45.722%0.2222%0.217CC..  trans-128.967.3-176.8-54.7-79000110.8L299 C303 I329 L335 L336L299-Y333 HydrophobicContact CD2-CD2 3.76Å; L299-Y333 HydrophobicContact CD2-CE2 3.65Å; L299-Y333 HydrophobicContact CG-CD2 4.25Å; L299-Y333 HydrophobicContact CG-CE2 3.94Å; C303-Y333 HydrophobicContact CB-CD1 4.15Å; C303-Y333 HydrophobicContact CB-CE1 3.81Å; C303-Y333 VanDerWaalsContact SG-CD1 3.54Å; C303-Y333 VanDerWaalsContact SG-CE1 3.59Å; I329-Y333 CarbonylContact O-C 3.58Å; I329-Y333 WeakPolarHBondContact O-CA 3.42Å; I329-Y333 PolarHBondContact O-N 2.95Å; Y333-L335 PolarHBondContact O-N 2.73Å; Y333-L335 VanDerWaalsContact O-N 3.11Å; Y333-L336 WeakPolarHBondContact O-CB 3.33Å; Y333-L336 PolarHBondContact O-N 3.12Å
334P95.8Very high97.3Very high84 Ų8445.5 Ų45.555%0.54522%0.215SC..THydrogen-bonded Turntrans-61.3-26.8-170.423.1-34.7000114.6K330K330-P334 WeakPolarHBondContact O-CA 3.46Å
335L95.2Very high96.7Very high163 Ų16343.3 Ų43.385%0.85321%0.205SC*.THydrogen-bonded Turntrans-82.2-21.4178-60.9-179.9000113.1Y333Y333-L335 PolarHBondContact O-N 2.73Å; Y333-L335 VanDerWaalsContact O-N 3.11Å
336L97.8Very high96.2Very high15 Ų1547.3 Ų47.38%0.07923%0.233CC..SBendtrans-70.4134.7-178.3-17764.4000110.4L299 V307 V310 I329 Y333L299-L336 HydrophobicContact CD1-CD2 3.73Å; V307-L336 HydrophobicContact CG1-CD1 4.02Å; V310-L336 HydrophobicContact CB-CD2 4.32Å; V310-L336 HydrophobicContact CG2-CD1 4.21Å; V310-L336 HydrophobicContact CG2-CD2 3.8Å; V310-L336 HydrophobicContact CG2-CG 4.37Å; I329-L336 HydrophobicContact CG2-CD2 3.91Å; Y333-L336 WeakPolarHBondContact O-CB 3.33Å; Y333-L336 PolarHBondContact O-N 3.12Å
337Q98.2Very high95.9Very high25 Ų2548.6 Ų48.612%0.11724%0.239CC..EExtended strand (participates in β ladder)trans-89.5135.7179.3-62.9-64.4-73.200111.2T82 V85 V309 V310T82-Q337 HydrophobicContact CG2-CB 4.01Å; T82-Q337 WeakPolarHBondContact OG1-CG 3.43Å; T82-Q337 PolarHBondContact OG1-OE1 3.12Å; V85-Q337 HydrophobicContact CG2-CG 3.93Å; V309-Q337 WeakPolarHBondContact CA-O 3.46Å; V309-Q337 HydrophobicContact CG1-CB 4.25Å; V309-Q337 HydrophobicContact CG2-CB 4.14Å; V310-Q337 PolarHBondContact N-O 3.28Å
338I98.6Very high95.8Very high0 Ų042.8 Ų42.80%022%0.218CC..EExtended strand (participates in β ladder)trans-115.7123.1-175.2-48.4174.6000111.3V310 I312 V326 I329 K330 D357 A358V310-I338 WeakPolarHBondContact O-CA 3.49Å; I312-I338 HydrophobicContact CD1-CG2 3.98Å; I312-I338 HydrophobicContact CG1-CG2 4.33Å; V326-I338 HydrophobicContact CG1-CD1 4.2Å; V326-I338 HydrophobicContact CG2-CG2 4.3Å; I329-I338 HydrophobicContact CB-CD1 3.57Å; I329-I338 HydrophobicContact CB-CG1 4.38Å; I329-I338 HydrophobicContact CD1-CD1 4.45Å; I329-I338 HydrophobicContact CG2-CD1 3.47Å; I329-I338 VanDerWaalsContact CG2-CD1 3.47Å; I329-I338 HydrophobicContact CG2-CG1 3.8Å; K330-I338 HydrophobicContact CD-CD1 3.42Å; K330-I338 VanDerWaalsContact CD-CD1 3.42Å; K330-I338 HydrophobicContact CD-CG1 4.2Å; K330-I338 HydrophobicContact CG-CD1 3.75Å; I338-D357 PolarHBondContact N-OD2 2.83Å; I338-D357 CarbonylContact O-C 3.55Å; I338-D357 WeakPolarHBondContact O-CA 3.32Å; I338-D357 PolarHBondContact O-N 2.99Å; I338-A358 PolarHBondContact O-N 2.85Å
339I98.7Very high95.7Very high1 Ų144.8 Ų44.81%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-96.6114.3165.2-58162.9000107.7L81 T82 I116 V309 V310 A311 I312 A358 R360 I400L81-I339 HydrophobicContact CD1-CD1 4.24Å; L81-I339 HydrophobicContact CG-CD1 4.36Å; T82-I339 HydrophobicContact CG2-CG1 3.98Å; I116-I339 HydrophobicContact CD1-CD1 4.48Å; V309-I339 HydrophobicContact CG1-CD1 3.48Å; V309-I339 VanDerWaalsContact CG1-CD1 3.48Å; V309-I339 HydrophobicContact CG1-CG1 3.68Å; V310-I339 PolarHBondContact O-N 3.18Å; A311-I339 WeakPolarHBondContact CA-O 3.38Å; A311-I339 HydrophobicContact CB-CB 4.13Å; A311-I339 HydrophobicContact CB-CD1 4.41Å; I312-I339 PolarHBondContact N-O 3.28Å; I339-A358 HydrophobicContact CB-CB 4.45Å; I339-A358 HydrophobicContact CG1-CB 3.96Å; I339-A358 HydrophobicContact CG2-CB 4.48Å; I339-R360 HydrophobicContact CG2-CB 3.88Å; I339-I400 HydrophobicContact CD1-CD1 3.65Å; I339-I400 HydrophobicContact CG1-CD1 4.09Å; I339-I400 HydrophobicContact CG2-CD1 3.82Å
340A98.4Very high95.7Very high0 Ų048.2 Ų48.20%025%0.246CC..EExtended strand (participates in β ladder)trans-100.9148.1177.600000111.2V326 L351 A356 A358 L359 R360V326-A340 HydrophobicContact CG2-CB 4.31Å; A340-L351 HydrophobicContact CB-CB 4.07Å; A340-L351 HydrophobicContact CB-CD1 3.89Å; A340-L351 HydrophobicContact CB-CD2 4.33Å; A340-L351 HydrophobicContact CB-CG 4.32Å; A340-A356 HydrophobicContact CB-CB 3.58Å; A340-A358 PolarHBondContact N-O 2.93Å; A340-L359 HydrophobicContact CB-CD2 4.43Å; A340-L359 CarbonylContact O-C 3.44Å; A340-L359 WeakPolarHBondContact O-CA 3.3Å; A340-R360 PolarHBondContact O-N 2.91Å
341G96.5Very high95.7Very high0 Ų045.4 Ų45.40%023%0.234CC..EExtended strand (participates in β ladder)trans163-171-179.400000114.4G317 Q322G317-G341 VanDerWaalsContact CA-O 3.27Å; G317-G341 WeakPolarHBondContact CA-O 3.47Å; Q322-G341 PolarHBondContact NE2-O 3.24Å; Q322-G341 PolarHBondContact OE1-O 2.81Å
342N96.7Very high95.7Very high8 Ų838.3 Ų38.34%0.04320%0.204CC..EExtended strand (participates in β ladder)cis-81.3150-4-74.229000112.1S314 G317 R360 G362 D402S314-N342 WeakPolarHBondContact O-CB 3.39Å; S314-N342 PolarHBondContact O-N 3.29Å; G317-N342 PolarHBondContact N-O 2.94Å; N342-R360 CarbonylContact C-O 3.45Å; N342-R360 VanDerWaalsContact CA-O 3.3Å; N342-R360 WeakPolarHBondContact CA-O 3.36Å; N342-R360 WeakPolarHBondContact OD1-CD 3.43Å; N342-R360 WeakPolarHBondContact OD1-CG 3.2Å; N342-R360 PolarHBondContact OD1-NE 2.89Å; N342-G362 VanDerWaalsContact CB-O 3.22Å; N342-G362 WeakPolarHBondContact CB-O 3.25Å; N342-G362 PolarHBondContact ND2-O 3.09Å; N342-D402 PolarHBondContact ND2-OD2 2.81Å; N342-D402 VanDerWaalsContact ND2-OD2 3.11Å
343V96.9Very high95.7Very high1 Ų138.8 Ų38.81%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-127.6160.9177-59.20000111.9Q347 L351 L359 R360 V361 G362 V388V343-Q347 HydrophobicContact CB-CB 3.77Å; V343-Q347 HydrophobicContact CG1-CB 3.49Å; V343-Q347 VanDerWaalsContact CG1-CB 3.49Å; V343-L351 HydrophobicContact CG1-CD1 3.41Å; V343-L351 VanDerWaalsContact CG1-CD1 3.41Å; V343-L351 HydrophobicContact CG1-CG 4.49Å; V343-L359 HydrophobicContact CG2-CB 4.33Å; V343-L359 HydrophobicContact CG2-CD1 4.45Å; V343-R360 PolarHBondContact N-O 2.85Å; V343-V361 HydrophobicContact CG2-CG2 3.83Å; V343-V361 WeakPolarHBondContact O-CA 3.35Å; V343-G362 PolarHBondContact O-N 2.8Å; V343-V388 HydrophobicContact CG2-CG1 4.03Å; V343-V388 HydrophobicContact CG2-CG2 4.28Å
344T94.4Very high95.7Very high8 Ų836.5 Ų36.55%0.04920%0.202CC..SBendtrans-132.6-22.6174.755.50000114.3Q347 M363 R379 A384 V388T344-Q347 PolarHBondContact OG1-NE2 3.32Å; T344-M363 HydrophobicContact CG2-CB 3.58Å; T344-R379 HydrophobicContact CG2-CB 4.01Å; T344-A384 HydrophobicContact CG2-CB 4.47Å; T344-V388 VanDerWaalsContact C-CG2 3.47Å; T344-V388 WeakPolarHBondContact O-CG2 3.29Å
345T86Confident95.8Very high37 Ų3733.7 Ų33.723%0.22719%0.188CC..SBendtrans-153.7-111.4178.1520000113.6Q347 A348 R379T345-Q347 VanDerWaalsContact C-OE1 3.3Å; T345-Q347 PolarHBondContact O-N 2.97Å; T345-Q347 PolarHBondContact OG1-OE1 3.41Å; T345-A348 VanDerWaalsContact O-CB 3.29Å; T345-A348 WeakPolarHBondContact O-CB 3.3Å; T345-A348 PolarHBondContact O-N 3.48Å; T345-A348 VanDerWaalsContact O-N 3.16Å; T345-R379 VanDerWaalsContact CG2-NH2 3.33Å
346S85.4Confident95.9Very high90 Ų9026 Ų2663%0.62915%0.147SC*.THydrogen-bonded Turntrans-68.2-18.8-169.853.50000112.2A348 K349S346-A348 PolarHBondContact O-N 2.81Å; S346-A348 VanDerWaalsContact O-N 3.13Å; S346-K349 WeakPolarHBondContact O-CB 3.41Å; S346-K349 PolarHBondContact O-N 3.25Å
347Q92.5Very high95.9Very high27 Ų2725.9 Ų25.913%0.12615%0.147CC..Hα-helixtrans-51-33.7170.1-62.199.2-2200112.1N318 V343 T344 T345 K349 N350 L351N318-Q347 HydrophobicContact CB-CB 3.64Å; N318-Q347 HydrophobicContact CB-CG 3.38Å; V343-Q347 HydrophobicContact CB-CB 3.77Å; V343-Q347 HydrophobicContact CG1-CB 3.49Å; V343-Q347 VanDerWaalsContact CG1-CB 3.49Å; T344-Q347 PolarHBondContact OG1-NE2 3.32Å; T345-Q347 VanDerWaalsContact C-OE1 3.3Å; T345-Q347 PolarHBondContact O-N 2.97Å; T345-Q347 PolarHBondContact OG1-OE1 3.41Å; Q347-K349 PolarHBondContact O-N 2.76Å; Q347-N350 PolarHBondContact O-N 3.43Å; Q347-L351 PolarHBondContact O-N 3.39Å
348A94.8Very high95.9Very high0 Ų024.7 Ų24.70%014%0.141CC..Hα-helixtrans-53.3-39.6178.400000112.5T345 S346 N350 L351 I352 L359 V388 Y391T345-A348 VanDerWaalsContact O-CB 3.29Å; T345-A348 WeakPolarHBondContact O-CB 3.3Å; T345-A348 PolarHBondContact O-N 3.48Å; T345-A348 VanDerWaalsContact O-N 3.16Å; S346-A348 PolarHBondContact O-N 2.81Å; S346-A348 VanDerWaalsContact O-N 3.13Å; A348-N350 PolarHBondContact O-N 3.35Å; A348-L351 PolarHBondContact O-N 3.32Å; A348-I352 VanDerWaalsContact O-CB 3.32Å; A348-I352 WeakPolarHBondContact O-CB 3.25Å; A348-I352 WeakPolarHBondContact O-CG1 3.49Å; A348-I352 PolarHBondContact O-N 3.01Å; A348-L359 HydrophobicContact CB-CD1 3.55Å; A348-V388 HydrophobicContact CB-CG1 3.94Å; A348-Y391 HydrophobicContact CB-CD1 4.15Å
349K96.6Very high95.9Very high109 Ų10924.7 Ų24.747%0.47414%0.141SC..Hα-helixtrans-58.4-48.4-179.8177.6175.3178.7-177.10111.8S346 Q347 N353 Y391S346-K349 WeakPolarHBondContact O-CB 3.41Å; S346-K349 PolarHBondContact O-N 3.25Å; Q347-K349 PolarHBondContact O-N 2.76Å; K349-N353 VanDerWaalsContact O-CB 3.3Å; K349-N353 WeakPolarHBondContact O-CB 3.29Å; K349-N353 PolarHBondContact O-N 2.96Å; K349-N353 PolarHBondContact O-OD1 3.24Å; K349-Y391 HydrophobicContact CB-CE1 4.06Å; K349-Y391 WeakPolarHBondContact CG-OH 3.19Å
350N96.9Very high95.9Very high72 Ų7224.8 Ų24.839%0.38514%0.142SC..Hα-helixtrans-67.9-42.3-175-69-6.7000111.7N318 Q347 A348 N353 A354N318-N350 WeakPolarHBondContact OD1-CB 3.24Å; N318-N350 PolarHBondContact OD1-ND2 2.71Å; Q347-N350 PolarHBondContact O-N 3.43Å; A348-N350 PolarHBondContact O-N 3.35Å; N350-N353 PolarHBondContact O-N 3Å; N350-A354 WeakPolarHBondContact O-CB 3.37Å; N350-A354 PolarHBondContact O-N 2.99Å
351L97.8Very high95.9Very high0 Ų024.8 Ų24.80%014%0.142CC..Hα-helixtrans-71.1-37.6179.2-63.4-179.2000112.5Q322 A340 V343 Q347 A348 A354 G355 A356 L359Q322-L351 HydrophobicContact CB-CD2 4.49Å; Q322-L351 HydrophobicContact CG-CD2 4Å; A340-L351 HydrophobicContact CB-CB 4.07Å; A340-L351 HydrophobicContact CB-CD1 3.89Å; A340-L351 HydrophobicContact CB-CD2 4.33Å; A340-L351 HydrophobicContact CB-CG 4.32Å; V343-L351 HydrophobicContact CG1-CD1 3.41Å; V343-L351 VanDerWaalsContact CG1-CD1 3.41Å; V343-L351 HydrophobicContact CG1-CG 4.49Å; Q347-L351 PolarHBondContact O-N 3.39Å; A348-L351 PolarHBondContact O-N 3.32Å; L351-A354 PolarHBondContact O-N 3.03Å; L351-G355 PolarHBondContact O-N 3.36Å; L351-A356 HydrophobicContact CB-CB 4.46Å; L351-A356 VanDerWaalsContact O-CB 3.24Å; L351-A356 WeakPolarHBondContact O-CB 3.26Å; L351-A356 PolarHBondContact O-N 3.39Å; L351-A356 VanDerWaalsContact O-N 3.07Å; L351-L359 HydrophobicContact CB-CD2 3.85Å; L351-L359 HydrophobicContact CD1-CD2 4.26Å
352I97.5Very high95.8Very high14 Ų1424.9 Ų24.97%0.07214%0.143CC..Hα-helixtrans-62.2-47172.2-70.4173.5000110.2A348 A354 G355 L359 Y391 A392 F395 V397A348-I352 VanDerWaalsContact O-CB 3.32Å; A348-I352 WeakPolarHBondContact O-CB 3.25Å; A348-I352 WeakPolarHBondContact O-CG1 3.49Å; A348-I352 PolarHBondContact O-N 3.01Å; I352-A354 VanDerWaalsContact C-N 3.26Å; I352-A354 PolarHBondContact O-N 3.24Å; I352-G355 PolarHBondContact O-N 3.35Å; I352-L359 HydrophobicContact CD1-CD1 3.83Å; I352-L359 HydrophobicContact CG1-CD1 3.95Å; I352-L359 HydrophobicContact CG1-CD2 4.45Å; I352-L359 HydrophobicContact CG1-CG 4.36Å; I352-Y391 HydrophobicContact CD1-CD1 4.18Å; I352-Y391 HydrophobicContact CD1-CE1 4.09Å; I352-A392 HydrophobicContact CD1-CB 4.11Å; I352-F395 HydrophobicContact CD1-CD2 4.21Å; I352-F395 HydrophobicContact CG2-CB 3.92Å; I352-F395 HydrophobicContact CG2-CD1 4.1Å; I352-F395 HydrophobicContact CG2-CD2 4.2Å; I352-F395 HydrophobicContact CG2-CG 3.8Å; I352-V397 HydrophobicContact CD1-CB 4.25Å; I352-V397 HydrophobicContact CD1-CG1 4.45Å; I352-V397 HydrophobicContact CD1-CG2 4.21Å; I352-V397 HydrophobicContact CG1-CB 4.37Å; I352-V397 HydrophobicContact CG1-CG1 4.24Å; I352-V397 HydrophobicContact CG1-CG2 4.03Å; I352-V397 HydrophobicContact CG2-CG2 4.23Å
353N97.2Very high95.7Very high105 Ų10525.3 Ų25.356%0.56115%0.145SC*.Hα-helixtrans-63.8-31.6178.2-72.6-4.7000112.6K349 N350 G355K349-N353 VanDerWaalsContact O-CB 3.3Å; K349-N353 WeakPolarHBondContact O-CB 3.29Å; K349-N353 PolarHBondContact O-N 2.96Å; K349-N353 PolarHBondContact O-OD1 3.24Å; N350-N353 PolarHBondContact O-N 3Å; N353-G355 PolarHBondContact O-N 2.98Å
354A97.5Very high95.3Very high8 Ų826 Ų267%0.06615%0.152CC..Hα-helixtrans-69-20.5174.600000112.9C323 V326 N350 L351 I352C323-A354 HydrophobicContact CB-CB 4.17Å; V326-A354 HydrophobicContact CB-CB 4.14Å; V326-A354 HydrophobicContact CG1-CB 4.02Å; V326-A354 WeakPolarHBondContact CG1-O 3.17Å; N350-A354 WeakPolarHBondContact O-CB 3.37Å; N350-A354 PolarHBondContact O-N 2.99Å; L351-A354 PolarHBondContact O-N 3.03Å; I352-A354 VanDerWaalsContact C-N 3.26Å; I352-A354 PolarHBondContact O-N 3.24Å
355G97.5Very high95Very high25 Ų2526.8 Ų26.826%0.25816%0.158SC..THydrogen-bonded Turntrans115.219.1176.500000115.3L351 I352 N353L351-G355 PolarHBondContact O-N 3.36Å; I352-G355 PolarHBondContact O-N 3.35Å; N353-G355 PolarHBondContact O-N 2.98Å
356A97.9Very high94.9Very high0 Ų026.2 Ų26.20%016%0.159CC..  trans-59.8137.5177.600000112.5A340 L351 L359A340-A356 HydrophobicContact CB-CB 3.58Å; L351-A356 HydrophobicContact CB-CB 4.46Å; L351-A356 VanDerWaalsContact O-CB 3.24Å; L351-A356 WeakPolarHBondContact O-CB 3.26Å; L351-A356 PolarHBondContact O-N 3.39Å; L351-A356 VanDerWaalsContact O-N 3.07Å; A356-L359 HydrophobicContact CB-CD2 4.4Å
357D98.2Very high94.8Very high13 Ų1325.2 Ų25.27%0.0715%0.152CC..SBendtrans-90.7-15178.3-60-62.2000112.5K83 K330 I338 P398K83-D357 HydrophobicContact CB-CB 4.49Å; K83-D357 PolarHBondContact N-O 3.44Å; K83-D357 VanDerWaalsContact N-O 3.09Å; K330-D357 IonicContact NZ-OD1 3.88Å; K330-D357 PolarHBondContact NZ-OD1 3.1Å; K330-D357 VanDerWaalsContact NZ-OD1 3.12Å; K330-D357 IonicContact NZ-OD2 2.84Å; K330-D357 PolarHBondContact NZ-OD2 3.22Å; I338-D357 PolarHBondContact N-OD2 2.83Å; I338-D357 CarbonylContact O-C 3.55Å; I338-D357 WeakPolarHBondContact O-CA 3.32Å; I338-D357 PolarHBondContact O-N 2.99Å; D357-P398 WeakPolarHBondContact O-CD 3.24Å
358A98.4Very high94.6Very high0 Ų024.8 Ų24.80%015%0.151CC..EExtended strand (participates in β ladder)trans-157162.5171.900000111.1L81 T82 I338 I339 A340 P398L81-A358 VanDerWaalsContact O-CB 3.24Å; L81-A358 WeakPolarHBondContact O-CB 3.4Å; T82-A358 HydrophobicContact CG2-CB 3.93Å; I338-A358 PolarHBondContact O-N 2.85Å; I339-A358 HydrophobicContact CB-CB 4.45Å; I339-A358 HydrophobicContact CG1-CB 3.96Å; I339-A358 HydrophobicContact CG2-CB 4.48Å; A340-A358 PolarHBondContact N-O 2.93Å; A358-P398 WeakPolarHBondContact CA-O 3.34Å
359L98.5Very high94.2Very high0 Ų026.5 Ų26.50%016%0.162CC..EExtended strand (participates in β ladder)trans-118.3135.2174.4-66176.8000112.1A340 V343 A348 L351 I352 A356 V388 A392 V397 P398 V399 I400A340-L359 HydrophobicContact CB-CD2 4.43Å; A340-L359 CarbonylContact O-C 3.44Å; A340-L359 WeakPolarHBondContact O-CA 3.3Å; V343-L359 HydrophobicContact CG2-CB 4.33Å; V343-L359 HydrophobicContact CG2-CD1 4.45Å; A348-L359 HydrophobicContact CB-CD1 3.55Å; L351-L359 HydrophobicContact CB-CD2 3.85Å; L351-L359 HydrophobicContact CD1-CD2 4.26Å; I352-L359 HydrophobicContact CD1-CD1 3.83Å; I352-L359 HydrophobicContact CG1-CD1 3.95Å; I352-L359 HydrophobicContact CG1-CD2 4.45Å; I352-L359 HydrophobicContact CG1-CG 4.36Å; A356-L359 HydrophobicContact CB-CD2 4.4Å; L359-V388 HydrophobicContact CD1-CG1 3.86Å; L359-A392 HydrophobicContact CD1-CB 4.23Å; L359-V397 HydrophobicContact CD1-CG1 4.45Å; L359-V397 HydrophobicContact CG-CG1 3.97Å; L359-P398 PolarHBondContact N-O 3.47Å; L359-V399 HydrophobicContact CB-CG2 4.38Å; L359-V399 CarbonylContact O-C 3.35Å; L359-V399 WeakPolarHBondContact O-CA 3.2Å; L359-I400 PolarHBondContact O-N 3.05Å
360R98.4Very high93.9Very high3 Ų324 Ų241%0.01115%0.153CC..EExtended strand (participates in β ladder)trans-95.4118.5170.1-173.9175.7174.5-163.9-1.5109.8D313 I339 A340 N342 V343 D402 M423D313-R360 IonicContact OD1-CZ 3.36Å; D313-R360 IonicContact OD1-NH1 2.83Å; D313-R360 PolarHBondContact OD1-NH1 3.48Å; D313-R360 IonicContact OD1-NH2 3.53Å; I339-R360 HydrophobicContact CG2-CB 3.88Å; A340-R360 PolarHBondContact O-N 2.91Å; N342-R360 CarbonylContact C-O 3.45Å; N342-R360 VanDerWaalsContact CA-O 3.3Å; N342-R360 WeakPolarHBondContact CA-O 3.36Å; N342-R360 WeakPolarHBondContact OD1-CD 3.43Å; N342-R360 WeakPolarHBondContact OD1-CG 3.2Å; N342-R360 PolarHBondContact OD1-NE 2.89Å; V343-R360 PolarHBondContact N-O 2.85Å; R360-D402 HydrophobicContact CG-CB 3.86Å; R360-D402 IonicContact CZ-OD2 3.67Å; R360-D402 IonicContact NE-OD2 3.74Å; R360-D402 PolarHBondContact NE-OD2 2.69Å; R360-D402 IonicContact NH2-OD1 3.85Å; R360-D402 IonicContact NH2-OD2 2.87Å; R360-D402 PolarHBondContact NH2-OD2 3.22Å; R360-M423 PolarHBondContact NE-SD 2.7Å; R360-M423 PolarHBondContact NH2-SD 2.94Å; R360-M423 VanDerWaalsContact NH2-SD 3.37Å
361V97.8Very high93.4Very high0 Ų020.7 Ų20.70%014%0.136CC..EExtended strand (participates in β ladder)trans-111.4123.9-170.7-179.60000110.9V343 Q381 A384 V385 V388 V399 I400 D402V343-V361 HydrophobicContact CG2-CG2 3.83Å; V343-V361 WeakPolarHBondContact O-CA 3.35Å; V361-Q381 PolarHBondContact O-NE2 2.96Å; V361-A384 HydrophobicContact CG1-CB 3.94Å; V361-V385 HydrophobicContact CG1-CG2 4.17Å; V361-V388 HydrophobicContact CG1-CB 4.37Å; V361-V388 HydrophobicContact CG1-CG2 4.25Å; V361-V388 HydrophobicContact CG2-CB 3.88Å; V361-V388 HydrophobicContact CG2-CG1 3.54Å; V361-V388 HydrophobicContact CG2-CG2 4.29Å; V361-V399 HydrophobicContact CB-CG1 4.09Å; V361-V399 HydrophobicContact CG2-CB 4.48Å; V361-V399 HydrophobicContact CG2-CG1 3.45Å; V361-V399 VanDerWaalsContact CG2-CG1 3.45Å; V361-V399 HydrophobicContact CG2-CG2 4.37Å; V361-I400 PolarHBondContact N-O 3.17Å; V361-D402 PolarHBondContact O-N 3.26Å
362G95.4Very high93Very high2 Ų223.3 Ų23.32%0.02115%0.148CC..  trans144.2133.2172.900000113.2N342 V343N342-G362 VanDerWaalsContact CB-O 3.22Å; N342-G362 WeakPolarHBondContact CB-O 3.25Å; N342-G362 PolarHBondContact ND2-O 3.09Å; V343-G362 PolarHBondContact O-N 2.8Å
363M94Very high92.6Very high17 Ų1730.6 Ų30.68%0.08418%0.182CC..SBendtrans-144.5118.6177.1-173.9178179.400109.3Q316 T344 C365 T371 Q372 V377Q316-M363 HydrophobicContact CB-CE 4.16Å; Q316-M363 HydrophobicContact CB-SD 4.42Å; Q316-M363 HydrophobicContact CG-CE 4.3Å; Q316-M363 HydrophobicContact CG-SD 4.26Å; T344-M363 HydrophobicContact CG2-CB 3.58Å; M363-C365 VanDerWaalsContact C-N 3.32Å; M363-C365 PolarHBondContact O-N 3.48Å; M363-T371 HydrophobicContact CE-CG2 3.77Å; M363-T371 HydrophobicContact CG-CG2 4.37Å; M363-Q372 PolarHBondContact O-NE2 3.33Å; M363-V377 HydrophobicContact CE-CB 4.06Å; M363-V377 HydrophobicContact CE-CG1 3.57Å; M363-V377 HydrophobicContact SD-CG1 3.86Å
364G88.4Confident92.2Very high16 Ų1628.6 Ų28.617%0.16517%0.173CC..SBendtrans77.310.418000000115.6Q372G364-Q372 PolarHBondContact O-NE2 3.34Å
365C88.5Confident91.9Very high24 Ų2431.5 Ų31.516%0.16219%0.186CC..  trans-101.8-3.7-178.8580000114.2M363 Q381 D402 G404M363-C365 VanDerWaalsContact C-N 3.32Å; M363-C365 PolarHBondContact O-N 3.48Å; C365-Q381 HydrophobicContact CB-CB 4.03Å; C365-Q381 HydrophobicContact CB-CG 4.48Å; C365-Q381 VanDerWaalsContact SG-CD 3.59Å; C365-Q381 PolarHBondContact SG-OE1 2.84Å; C365-D402 PolarHBondContact SG-O 3.35Å; C365-G404 WeakPolarHBondContact O-CA 3.45Å; C365-G404 PolarHBondContact O-N 3.16Å
366G83.5Confident91.6Very high25 Ų2534.8 Ų34.826%0.25821%0.211SC..SBendtrans-70.8146.7177.300000111.4I368 C369G366-I368 PolarHBondContact O-N 3.11Å; G366-C369 WeakPolarHBondContact O-CB 3.4Å; G366-C369 PolarHBondContact O-N 2.66Å
367S84.3Confident91.3Very high69 Ų6938.3 Ų38.348%0.48323%0.233SC..THydrogen-bonded Turntrans-62.5-13.1-175.561.80000115.7Y449S367-Y449 WeakPolarHBondContact OG-CE1 3.42Å; S367-Y449 PolarHBondContact OG-OH 3.4Å
368I86.7Confident91Very high19 Ų1939.2 Ų39.210%0.09724%0.244CC..THydrogen-bonded Turntrans-123.34.4-177.940.8144.8000111.3M96 G366 Y449 G451 G481 V482M96-I368 HydrophobicContact SD-CD1 3.9Å; G366-I368 PolarHBondContact O-N 3.11Å; I368-Y449 HydrophobicContact CB-CE1 4.2Å; I368-Y449 HydrophobicContact CD1-CE1 4.16Å; I368-Y449 HydrophobicContact CD1-CE2 4.34Å; I368-Y449 HydrophobicContact CG1-CE1 3.77Å; I368-Y449 HydrophobicContact CG2-CD1 3.54Å; I368-Y449 HydrophobicContact CG2-CE1 3.39Å; I368-G451 VanDerWaalsContact CD1-N 3.29Å; I368-G481 CarbonylContact O-C 3.54Å; I368-G481 WeakPolarHBondContact O-CA 3.11Å; I368-V482 HydrophobicContact CB-CG2 4.29Å; I368-V482 HydrophobicContact CG2-CG2 4.34Å; I368-V482 PolarHBondContact O-N 3.31Å
369C87.4Confident90.7Very high36 Ų3643 Ų4324%0.24326%0.259CS..BIsolated β-bridgetrans-97.3129.7-177.4-173.90000109G366 T371G366-C369 WeakPolarHBondContact O-CB 3.4Å; G366-C369 PolarHBondContact O-N 2.66Å; C369-T371 PolarHBondContact SG-OG1 3.49Å
370I89.7Confident90.4Very high56 Ų5643.3 Ų43.329%0.28726%0.262SS..  trans-115.616.3178.259.4171.8000111.5Q372 E373 V374 Q480 V482I370-Q372 VanDerWaalsContact C-N 3.25Å; I370-Q372 PolarHBondContact O-N 2.71Å; I370-E373 PolarHBondContact O-N 2.88Å; I370-E373 VanDerWaalsContact O-N 3.16Å; I370-V374 HydrophobicContact CB-CG2 4.21Å; I370-V374 HydrophobicContact CD1-CG2 3.64Å; I370-V374 HydrophobicContact CG1-CG2 3.77Å; I370-V374 WeakPolarHBondContact O-CG2 3.22Å; I370-V374 PolarHBondContact O-N 3.2Å; I370-Q480 VanDerWaalsContact CG1-C 3.4Å; I370-Q480 PolarHBondContact N-O 3.27Å; I370-V482 HydrophobicContact CD1-CG1 4.12Å; I370-V482 HydrophobicContact CG2-CG1 4.07Å
371T87.3Confident90.2Very high2 Ų243.3 Ų43.31%0.01226%0.262CS..Hα-helixtrans-55.4-37.1-177.3-62.60000112.8M363 C369 M375 Q480M363-T371 HydrophobicContact CE-CG2 3.77Å; M363-T371 HydrophobicContact CG-CG2 4.37Å; C369-T371 PolarHBondContact SG-OG1 3.49Å; T371-M375 HydrophobicContact CG2-CB 4.21Å; T371-M375 HydrophobicContact CG2-CG 4.09Å; T371-M375 WeakPolarHBondContact O-CA 3.23Å; T371-M375 VanDerWaalsContact O-CB 3.23Å; T371-M375 WeakPolarHBondContact O-CB 3.25Å; T371-M375 PolarHBondContact O-N 3.47Å; T371-Q480 PolarHBondContact N-O 2.86Å; T371-Q480 PolarHBondContact OG1-OE1 2.84Å; T371-Q480 VanDerWaalsContact OG1-OE1 3.05Å
372Q89.2Confident90Very high56 Ų5643.3 Ų43.326%0.26226%0.262SS..Hα-helixtrans-65.6-44.3-179.9-52.5-162.7-3.600111.3M363 G364 I370 A376 R379M363-Q372 PolarHBondContact O-NE2 3.33Å; G364-Q372 PolarHBondContact O-NE2 3.34Å; I370-Q372 VanDerWaalsContact C-N 3.25Å; I370-Q372 PolarHBondContact O-N 2.71Å; Q372-A376 WeakPolarHBondContact O-CA 3.38Å; Q372-A376 PolarHBondContact O-N 3.25Å; Q372-R379 PolarHBondContact NE2-O 2.96Å
373E89.8Confident89.9Confident167 Ų16743.6 Ų43.678%0.7826%0.263SS*.Hα-helixtrans-70.5-40.8-179.8-61.2-53.7130.600112.3I370I370-E373 PolarHBondContact O-N 2.88Å; I370-E373 VanDerWaalsContact O-N 3.16Å
374V89Confident89.9Confident63 Ų6342.8 Ų42.838%0.38226%0.259SS..Hα-helixtrans-82.7-39.7-174.8-171.90000111.8I370 I478I370-V374 HydrophobicContact CB-CG2 4.21Å; I370-V374 HydrophobicContact CD1-CG2 3.64Å; I370-V374 HydrophobicContact CG1-CG2 3.77Å; I370-V374 WeakPolarHBondContact O-CG2 3.22Å; I370-V374 PolarHBondContact O-N 3.2Å; V374-I478 HydrophobicContact CG1-CG2 3.67Å
375M89.8Confident90.3Very high68 Ų6842 Ų4234%0.33525%0.251SS..Hα-helixtrans-102.1-9.6-174.7-58.4-73.898.200113.7T371 V377 I478 Q480T371-M375 HydrophobicContact CG2-CB 4.21Å; T371-M375 HydrophobicContact CG2-CG 4.09Å; T371-M375 WeakPolarHBondContact O-CA 3.23Å; T371-M375 VanDerWaalsContact O-CB 3.23Å; T371-M375 WeakPolarHBondContact O-CB 3.25Å; T371-M375 PolarHBondContact O-N 3.47Å; M375-V377 HydrophobicContact CB-CB 4.43Å; M375-V377 WeakPolarHBondContact O-CG2 3.43Å; M375-V377 PolarHBondContact O-N 3.5Å; M375-V377 VanDerWaalsContact O-N 3.16Å; M375-I478 HydrophobicContact CE-CG2 3.67Å; M375-Q480 HydrophobicContact CG-CG 4.2Å; M375-Q480 PolarHBondContact SD-NE2 2.91Å
376A91.8Very high90.5Very high94 Ų9441.2 Ų41.278%0.77725%0.245SC*.SBendtrans55.524.7-170.400000113.7Q372Q372-A376 WeakPolarHBondContact O-CA 3.38Å; Q372-A376 PolarHBondContact O-N 3.25Å
377V91.6Very high91Very high75 Ų7543.5 Ų43.546%0.45525%0.248SC..  trans-127.4126.6-178.5-178.70000110.2M363 M375M363-V377 HydrophobicContact CE-CB 4.06Å; M363-V377 HydrophobicContact CE-CG1 3.57Å; M363-V377 HydrophobicContact SD-CG1 3.86Å; M375-V377 HydrophobicContact CB-CB 4.43Å; M375-V377 WeakPolarHBondContact O-CG2 3.43Å; M375-V377 PolarHBondContact O-N 3.5Å; M375-V377 VanDerWaalsContact O-N 3.16Å
378G91.4Very high91.5Very high31 Ų3140.2 Ų40.232%0.3223%0.225SC..  trans170.3-167.3177.900000111.8
379R91.8Very high91.9Very high79 Ų7939.5 Ų39.530%0.29822%0.221SC..  trans-159.4148.4172.2-174.5166.3-77.5-137.6-3.1110.5T344 T345 Q372 Q381 A384T344-R379 HydrophobicContact CG2-CB 4.01Å; T345-R379 VanDerWaalsContact CG2-NH2 3.33Å; Q372-R379 PolarHBondContact NE2-O 2.96Å; R379-Q381 PolarHBondContact O-N 3.48Å; R379-A384 HydrophobicContact CB-CB 4.26Å; R379-A384 HydrophobicContact CG-CB 4.03Å
380A92.9Very high92.1Very high8 Ų841.3 Ų41.37%0.06623%0.225CC..  trans-58131.3169.400000110.9F57 G382 T383 A384F57-A380 HydrophobicContact CD1-CB 4.25Å; F57-A380 HydrophobicContact CE1-CB 4.14Å; F57-A380 HydrophobicContact CZ-CB 4.32Å; A380-G382 PolarHBondContact O-N 2.99Å; A380-T383 PolarHBondContact O-N 2.91Å; A380-A384 PolarHBondContact O-N 2.96Å
381Q94.3Very high92.3Very high3 Ų341.9 Ų41.91%0.01422%0.224CC..Hα-helixtrans-66-38.3-164.6-173.365-3.300113.5F58 V361 C365 R379 A384 V385 D402F58-Q381 HydrophobicContact CE2-CB 4.1Å; F58-Q381 HydrophobicContact CE2-CG 3.53Å; F58-Q381 HydrophobicContact CZ-CB 4.34Å; F58-Q381 HydrophobicContact CZ-CG 3.61Å; V361-Q381 PolarHBondContact O-NE2 2.96Å; C365-Q381 HydrophobicContact CB-CB 4.03Å; C365-Q381 HydrophobicContact CB-CG 4.48Å; C365-Q381 VanDerWaalsContact SG-CD 3.59Å; C365-Q381 PolarHBondContact SG-OE1 2.84Å; R379-Q381 PolarHBondContact O-N 3.48Å; Q381-A384 PolarHBondContact O-N 2.93Å; Q381-V385 HydrophobicContact CG-CG2 4.28Å; Q381-V385 WeakPolarHBondContact O-CB 3.11Å; Q381-V385 VanDerWaalsContact O-CG2 3.29Å; Q381-V385 WeakPolarHBondContact O-CG2 3.45Å; Q381-V385 PolarHBondContact O-N 3.47Å; Q381-D402 PolarHBondContact NE2-O 3.2Å
382G93.4Very high92.6Very high0 Ų041.8 Ų41.80%022%0.224CC..Hα-helixtrans-60.7-50.4177.800000111.2S56 A380 A384 V385 Y386 L417S56-G382 VanDerWaalsContact O-CA 3.28Å; S56-G382 WeakPolarHBondContact O-CA 3.37Å; S56-G382 PolarHBondContact O-N 3.05Å; S56-G382 VanDerWaalsContact O-N 3.09Å; A380-G382 PolarHBondContact O-N 2.99Å; G382-A384 VanDerWaalsContact C-N 3.34Å; G382-A384 PolarHBondContact O-N 2.63Å; G382-V385 PolarHBondContact O-N 3.08Å; G382-Y386 WeakPolarHBondContact O-CB 3.27Å; G382-Y386 PolarHBondContact O-N 3.28Å; G382-L417 WeakPolarHBondContact O-CD1 3.27Å
383T93.2Very high92.7Very high8 Ų842.3 Ų42.35%0.04923%0.226CC..Hα-helixtrans-61.9-39.1176.5-51.90000112.9F18 S56 A380 K387F18-T383 HydrophobicContact CD1-CG2 4.26Å; S56-T383 PolarHBondContact N-OG1 3.19Å; S56-T383 PolarHBondContact O-N 3.09Å; A380-T383 PolarHBondContact O-N 2.91Å; T383-K387 HydrophobicContact CG2-CD 4Å; T383-K387 HydrophobicContact CG2-CG 4.4Å; T383-K387 WeakPolarHBondContact O-CB 3.42Å; T383-K387 WeakPolarHBondContact O-CG 3.46Å; T383-K387 PolarHBondContact O-N 3.21Å; T383-K387 VanDerWaalsContact O-N 3.09Å
384A94.6Very high92.8Very high0 Ų042 Ų420%022%0.222CC..Hα-helixtrans-64.1-49.317800000111.5T344 V361 R379 A380 Q381 G382 V388T344-A384 HydrophobicContact CG2-CB 4.47Å; V361-A384 HydrophobicContact CG1-CB 3.94Å; R379-A384 HydrophobicContact CB-CB 4.26Å; R379-A384 HydrophobicContact CG-CB 4.03Å; A380-A384 PolarHBondContact O-N 2.96Å; Q381-A384 PolarHBondContact O-N 2.93Å; G382-A384 VanDerWaalsContact C-N 3.34Å; G382-A384 PolarHBondContact O-N 2.63Å; A384-V388 WeakPolarHBondContact O-CB 3.24Å; A384-V388 VanDerWaalsContact O-CG2 3.29Å; A384-V388 WeakPolarHBondContact O-CG2 3.25Å; A384-V388 PolarHBondContact O-N 3.39Å
385V95.3Very high93Very high0 Ų043 Ų430%022%0.222CC..Hα-helixtrans-58.4-51.9177.8170.20000110.4F58 V361 Q381 G382 K387 V388 A389 A401 L417 A419F58-V385 HydrophobicContact CZ-CG2 4.47Å; V361-V385 HydrophobicContact CG1-CG2 4.17Å; Q381-V385 HydrophobicContact CG-CG2 4.28Å; Q381-V385 WeakPolarHBondContact O-CB 3.11Å; Q381-V385 VanDerWaalsContact O-CG2 3.29Å; Q381-V385 WeakPolarHBondContact O-CG2 3.45Å; Q381-V385 PolarHBondContact O-N 3.47Å; G382-V385 PolarHBondContact O-N 3.08Å; V385-K387 PolarHBondContact O-N 3.44Å; V385-V388 PolarHBondContact O-N 3.44Å; V385-A389 WeakPolarHBondContact O-CB 3.18Å; V385-A389 PolarHBondContact O-N 3.36Å; V385-A401 HydrophobicContact CG2-CB 3.62Å; V385-L417 HydrophobicContact CG1-CB 3.95Å; V385-A419 HydrophobicContact CG1-CB 3.89Å
386Y93.9Very high93.1Very high7 Ų746.1 Ų46.13%0.02723%0.23CC..Hα-helixtrans-57.8-53.3-178.7173.9-116.9000112.6L14 D15 F18 G382 V388 A389 K390 L417 Y538L14-Y386 HydrophobicContact CB-CD2 4.34Å; L14-Y386 HydrophobicContact CB-CE2 3.64Å; L14-Y386 HydrophobicContact CD1-CD2 3.99Å; L14-Y386 HydrophobicContact CD1-CE2 3.71Å; L14-Y386 HydrophobicContact CD2-CD2 4.47Å; L14-Y386 HydrophobicContact CG-CE2 4.2Å; D15-Y386 VanDerWaalsContact CG-OH 3.25Å; D15-Y386 PolarHBondContact OD1-OH 3.1Å; F18-Y386 HydrophobicContact CB-CD1 3.6Å; F18-Y386 HydrophobicContact CB-CE1 3.68Å; F18-Y386 HydrophobicContact CD1-CD1 4.36Å; F18-Y386 AromaticContact CD2-CD1 3.4Å; F18-Y386 HydrophobicContact CD2-CD1 3.4Å; F18-Y386 VanDerWaalsContact CD2-CD1 3.4Å; F18-Y386 HydrophobicContact CD2-CD2 4.32Å; F18-Y386 AromaticContact CD2-CE1 3.89Å; F18-Y386 HydrophobicContact CD2-CE1 3.89Å; F18-Y386 AromaticContact CD2-CG 3.65Å; F18-Y386 HydrophobicContact CD2-CG 3.65Å; F18-Y386 HydrophobicContact CE2-CD1 4.18Å; F18-Y386 AromaticContact CE2-CG 3.97Å; F18-Y386 HydrophobicContact CE2-CG 3.97Å; F18-Y386 AromaticContact CG-CD1 3.52Å; F18-Y386 HydrophobicContact CG-CD1 3.52Å; F18-Y386 HydrophobicContact CG-CE1 4.05Å; F18-Y386 HydrophobicContact CG-CG 4.15Å; G382-Y386 WeakPolarHBondContact O-CB 3.27Å; G382-Y386 PolarHBondContact O-N 3.28Å; Y386-V388 PolarHBondContact O-N 3.21Å; Y386-A389 PolarHBondContact O-N 3.49Å; Y386-K390 HydrophobicContact CE2-CD 4.37Å; Y386-K390 VanDerWaalsContact O-CB 3.31Å; Y386-K390 WeakPolarHBondContact O-CB 3.25Å; Y386-K390 PolarHBondContact O-N 2.9Å; Y386-K390 PolarHBondContact OH-NZ 3.33Å; Y386-L417 WeakPolarHBondContact CA-O 3.39Å; Y386-Y538 HydrophobicContact CD2-CE1 4.41Å; Y386-Y538 HydrophobicContact CE2-CD1 4.49Å; Y386-Y538 AromaticContact CE2-CE1 3.78Å; Y386-Y538 HydrophobicContact CE2-CE1 3.78Å
387K93.5Very high93.3Very high72 Ų7242 Ų4231%0.31320%0.195SC..Hα-helixtrans-65.5-40.2-175.9-71.6-171.9174-171.90112.1T383 V385 Y391T383-K387 HydrophobicContact CG2-CD 4Å; T383-K387 HydrophobicContact CG2-CG 4.4Å; T383-K387 WeakPolarHBondContact O-CB 3.42Å; T383-K387 WeakPolarHBondContact O-CG 3.46Å; T383-K387 PolarHBondContact O-N 3.21Å; T383-K387 VanDerWaalsContact O-N 3.09Å; V385-K387 PolarHBondContact O-N 3.44Å; K387-Y391 PolarHBondContact O-N 3.13Å
388V95.4Very high93.5Very high1 Ų138.4 Ų38.41%0.00617%0.173CC..Hα-helixtrans-71.3-43.9177.6176.70000111.2V343 T344 A348 L359 V361 A384 V385 Y386 Y391 A392 V399V343-V388 HydrophobicContact CG2-CG1 4.03Å; V343-V388 HydrophobicContact CG2-CG2 4.28Å; T344-V388 VanDerWaalsContact C-CG2 3.47Å; T344-V388 WeakPolarHBondContact O-CG2 3.29Å; A348-V388 HydrophobicContact CB-CG1 3.94Å; L359-V388 HydrophobicContact CD1-CG1 3.86Å; V361-V388 HydrophobicContact CG1-CB 4.37Å; V361-V388 HydrophobicContact CG1-CG2 4.25Å; V361-V388 HydrophobicContact CG2-CB 3.88Å; V361-V388 HydrophobicContact CG2-CG1 3.54Å; V361-V388 HydrophobicContact CG2-CG2 4.29Å; A384-V388 WeakPolarHBondContact O-CB 3.24Å; A384-V388 VanDerWaalsContact O-CG2 3.29Å; A384-V388 WeakPolarHBondContact O-CG2 3.25Å; A384-V388 PolarHBondContact O-N 3.39Å; V385-V388 PolarHBondContact O-N 3.44Å; Y386-V388 PolarHBondContact O-N 3.21Å; V388-Y391 PolarHBondContact O-N 3.16Å; V388-A392 WeakPolarHBondContact O-CB 3.35Å; V388-A392 PolarHBondContact O-N 2.82Å; V388-V399 HydrophobicContact CG1-CG2 4Å
389A94.2Very high93.8Very high3 Ų337 Ų373%0.02516%0.159CC..Hα-helixtrans-61.9-45.2178.700000112.1V385 Y386 Y391 A392 Q393 V399 G418V385-A389 WeakPolarHBondContact O-CB 3.18Å; V385-A389 PolarHBondContact O-N 3.36Å; Y386-A389 PolarHBondContact O-N 3.49Å; A389-Y391 VanDerWaalsContact C-N 3.26Å; A389-Y391 PolarHBondContact O-N 3.22Å; A389-A392 PolarHBondContact O-N 2.85Å; A389-Q393 WeakPolarHBondContact O-CB 3.43Å; A389-Q393 PolarHBondContact O-N 2.77Å; A389-V399 HydrophobicContact CB-CB 4.45Å; A389-V399 HydrophobicContact CB-CG2 4.33Å; A389-G418 WeakPolarHBondContact CB-O 3.35Å
390K91.8Very high94.1Very high74 Ų7433.3 Ų33.332%0.32214%0.144SC..Hα-helixtrans-57.5-39.3176.6-172.2175.3-169.8176.20112D15 Y386 Y538D15-K390 IonicContact OD1-NZ 2.83Å; D15-K390 PolarHBondContact OD1-NZ 3.22Å; D15-K390 IonicContact OD2-NZ 2.73Å; D15-K390 PolarHBondContact OD2-NZ 3.11Å; Y386-K390 HydrophobicContact CE2-CD 4.37Å; Y386-K390 VanDerWaalsContact O-CB 3.31Å; Y386-K390 WeakPolarHBondContact O-CB 3.25Å; Y386-K390 PolarHBondContact O-N 2.9Å; Y386-K390 PolarHBondContact OH-NZ 3.33Å; K390-Y538 HydrophobicContact CB-CE1 4Å; K390-Y538 HydrophobicContact CG-CE1 4.05Å; K390-Y538 PolarHBondContact N-OH 3.33Å
391Y93.7Very high94.4Very high69 Ų6932.9 Ų32.927%0.27114%0.141SC..Hα-helixtrans-73.9-48.5175.6-177.5-94.3000112.4A348 K349 I352 K387 V388 A389 Q393 K394 F395A348-Y391 HydrophobicContact CB-CD1 4.15Å; K349-Y391 HydrophobicContact CB-CE1 4.06Å; K349-Y391 WeakPolarHBondContact CG-OH 3.19Å; I352-Y391 HydrophobicContact CD1-CD1 4.18Å; I352-Y391 HydrophobicContact CD1-CE1 4.09Å; K387-Y391 PolarHBondContact O-N 3.13Å; V388-Y391 PolarHBondContact O-N 3.16Å; A389-Y391 VanDerWaalsContact C-N 3.26Å; A389-Y391 PolarHBondContact O-N 3.22Å; Y391-Q393 VanDerWaalsContact C-N 3.29Å; Y391-Q393 PolarHBondContact O-N 2.94Å; Y391-K394 WeakPolarHBondContact O-CB 3.42Å; Y391-K394 PolarHBondContact O-N 3.2Å; Y391-F395 HydrophobicContact CD1-CE2 4.35Å; Y391-F395 HydrophobicContact CE1-CD2 4.19Å; Y391-F395 AromaticContact CE1-CE2 3.67Å; Y391-F395 HydrophobicContact CE1-CE2 3.67Å; Y391-F395 HydrophobicContact CE2-CE2 4.19Å; Y391-F395 AromaticContact CZ-CE2 3.58Å
392A94.7Very high94.5Very high0 Ų033.5 Ų33.50%014%0.144CC..Hα-helixtrans-65.3-30.2-174.800000113.1I352 L359 V388 A389 K394 F395 R396 V397 V399I352-A392 HydrophobicContact CD1-CB 4.11Å; L359-A392 HydrophobicContact CD1-CB 4.23Å; V388-A392 WeakPolarHBondContact O-CB 3.35Å; V388-A392 PolarHBondContact O-N 2.82Å; A389-A392 PolarHBondContact O-N 2.85Å; A392-K394 PolarHBondContact O-N 3.34Å; A392-F395 CarbonylContact O-C 3.43Å; A392-F395 PolarHBondContact O-N 3.27Å; A392-R396 PolarHBondContact O-N 2.83Å; A392-V397 HydrophobicContact CB-CB 4.24Å; A392-V397 WeakPolarHBondContact CB-O 3.29Å; A392-V397 PolarHBondContact O-N 3.02Å; A392-V397 VanDerWaalsContact O-N 3.11Å; A392-V399 HydrophobicContact CB-CG2 3.84Å
393Q90.1Very high94.4Very high67 Ų6734.1 Ų34.131%0.31315%0.151SC..Hα-helixtrans-57.8-35175.8-171.2-175.730.700112.3A389 Y391 F395 R396A389-Q393 WeakPolarHBondContact O-CB 3.43Å; A389-Q393 PolarHBondContact O-N 2.77Å; Y391-Q393 VanDerWaalsContact C-N 3.29Å; Y391-Q393 PolarHBondContact O-N 2.94Å; Q393-F395 PolarHBondContact O-N 2.92Å; Q393-F395 VanDerWaalsContact O-N 3.09Å; Q393-R396 PolarHBondContact O-N 3.41Å
394K91.6Very high94.1Very high161 Ų16134.8 Ų34.870%0.716%0.159SC*.THydrogen-bonded Turntrans-57.7-26176.4-60.1-179.5-179.4-177.80112.7Y391 A392Y391-K394 WeakPolarHBondContact O-CB 3.42Å; Y391-K394 PolarHBondContact O-N 3.2Å; A392-K394 PolarHBondContact O-N 3.34Å
395F93.8Very high94Very high84 Ų8435 Ų3537%0.36816%0.161SC..THydrogen-bonded Turntrans-109.27.1-179.5-57.2-86000113I352 Y391 A392 Q393 V397I352-F395 HydrophobicContact CD1-CD2 4.21Å; I352-F395 HydrophobicContact CG2-CB 3.92Å; I352-F395 HydrophobicContact CG2-CD1 4.1Å; I352-F395 HydrophobicContact CG2-CD2 4.2Å; I352-F395 HydrophobicContact CG2-CG 3.8Å; Y391-F395 HydrophobicContact CD1-CE2 4.35Å; Y391-F395 HydrophobicContact CE1-CD2 4.19Å; Y391-F395 AromaticContact CE1-CE2 3.67Å; Y391-F395 HydrophobicContact CE1-CE2 3.67Å; Y391-F395 HydrophobicContact CE2-CE2 4.19Å; Y391-F395 AromaticContact CZ-CE2 3.58Å; A392-F395 CarbonylContact O-C 3.43Å; A392-F395 PolarHBondContact O-N 3.27Å; Q393-F395 PolarHBondContact O-N 2.92Å; Q393-F395 VanDerWaalsContact O-N 3.09Å; F395-V397 HydrophobicContact CB-CG2 3.92Å; F395-V397 PolarHBondContact O-N 3.22Å
396R92.1Very high93.7Very high133 Ų13341.4 Ų41.450%0.50219%0.19SC..THydrogen-bonded Turntrans53.438.9-174.9-55.7175.2-177.8179.23.8112.3K83 A392 Q393 P398 L518 Y520K83-R396 WeakPolarHBondContact CE-O 3.44Å; K83-R396 WeakPolarHBondContact CG-O 3.45Å; A392-R396 PolarHBondContact O-N 2.83Å; Q393-R396 PolarHBondContact O-N 3.41Å; R396-P398 WeakPolarHBondContact O-CD 3.33Å; R396-L518 HydrophobicContact CB-CD1 4.33Å; R396-Y520 HydrophobicContact CG-CE2 4.15Å
397V95.8Very high93.5Very high6 Ų643.9 Ų43.94%0.03621%0.208CC..  trans-99.2114.9177.9176.40000108.2K83 I352 L359 A392 F395K83-V397 VanDerWaalsContact CE-CG2 3.44Å; I352-V397 HydrophobicContact CD1-CB 4.25Å; I352-V397 HydrophobicContact CD1-CG1 4.45Å; I352-V397 HydrophobicContact CD1-CG2 4.21Å; I352-V397 HydrophobicContact CG1-CB 4.37Å; I352-V397 HydrophobicContact CG1-CG1 4.24Å; I352-V397 HydrophobicContact CG1-CG2 4.03Å; I352-V397 HydrophobicContact CG2-CG2 4.23Å; L359-V397 HydrophobicContact CD1-CG1 4.45Å; L359-V397 HydrophobicContact CG-CG1 3.97Å; A392-V397 HydrophobicContact CB-CB 4.24Å; A392-V397 WeakPolarHBondContact CB-O 3.29Å; A392-V397 PolarHBondContact O-N 3.02Å; A392-V397 VanDerWaalsContact O-N 3.11Å; F395-V397 HydrophobicContact CB-CG2 3.92Å; F395-V397 PolarHBondContact O-N 3.22Å
398P96.8Very high93.5Very high1 Ų142 Ų421%0.00620%0.201CC..  trans-62.9151.9175.7-24.637000112.7N80 D357 A358 L359 R396N80-P398 HydrophobicContact CB-CB 4.2Å; N80-P398 HydrophobicContact CB-CG 3.66Å; N80-P398 WeakPolarHBondContact O-CB 3.31Å; D357-P398 WeakPolarHBondContact O-CD 3.24Å; A358-P398 WeakPolarHBondContact CA-O 3.34Å; L359-P398 PolarHBondContact N-O 3.47Å; R396-P398 WeakPolarHBondContact O-CD 3.33Å
399V97.3Very high93.4Very high2 Ų243.5 Ų43.51%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-118.5132.3-180163.10000110.1L359 V361 V388 A389 A392 S420 T421L359-V399 HydrophobicContact CB-CG2 4.38Å; L359-V399 CarbonylContact O-C 3.35Å; L359-V399 WeakPolarHBondContact O-CA 3.2Å; V361-V399 HydrophobicContact CB-CG1 4.09Å; V361-V399 HydrophobicContact CG2-CB 4.48Å; V361-V399 HydrophobicContact CG2-CG1 3.45Å; V361-V399 VanDerWaalsContact CG2-CG1 3.45Å; V361-V399 HydrophobicContact CG2-CG2 4.37Å; V388-V399 HydrophobicContact CG1-CG2 4Å; A389-V399 HydrophobicContact CB-CB 4.45Å; A389-V399 HydrophobicContact CB-CG2 4.33Å; A392-V399 HydrophobicContact CB-CG2 3.84Å; V399-S420 PolarHBondContact N-OG 3.41Å; V399-S420 PolarHBondContact O-N 3.4Å; V399-T421 PolarHBondContact O-N 3.45Å
400I98.3Very high93.5Very high0 Ų044.4 Ų44.40%022%0.22CC..EExtended strand (participates in β ladder)trans-101.9118.5172.9-47.8-175.6000108.2L81 I339 L359 V361 D402 T421 M423L81-I400 HydrophobicContact CD1-CD1 3.61Å; L81-I400 HydrophobicContact CD1-CG1 4.37Å; I339-I400 HydrophobicContact CD1-CD1 3.65Å; I339-I400 HydrophobicContact CG1-CD1 4.09Å; I339-I400 HydrophobicContact CG2-CD1 3.82Å; L359-I400 PolarHBondContact O-N 3.05Å; V361-I400 PolarHBondContact N-O 3.17Å; I400-D402 PolarHBondContact O-N 2.84Å; I400-T421 WeakPolarHBondContact CA-O 3.49Å; I400-T421 WeakPolarHBondContact CG1-OG1 3.31Å; I400-M423 HydrophobicContact CG2-CB 3.79Å
401A97.6Very high93.7Very high0 Ų040.9 Ų40.90%021%0.205CC..EExtended strand (participates in β ladder)trans-80107.8172.300000109.7V385 A414 A419 T421 V422 M423V385-A401 HydrophobicContact CG2-CB 3.62Å; A401-A414 HydrophobicContact CB-CB 3.94Å; A401-A419 HydrophobicContact CB-CB 3.87Å; A401-T421 PolarHBondContact N-O 2.97Å; A401-V422 HydrophobicContact CB-CG1 4.34Å; A401-V422 WeakPolarHBondContact O-CA 3.42Å; A401-M423 PolarHBondContact O-N 2.99Å
402D97.2Very high93.7Very high15 Ų1538.2 Ų38.28%0.0820%0.196CC..EExtended strand (participates in β ladder)trans-111.1119.7-176.2176.335.7000112N342 R360 V361 C365 Q381 I400 M423N342-D402 PolarHBondContact ND2-OD2 2.81Å; N342-D402 VanDerWaalsContact ND2-OD2 3.11Å; R360-D402 HydrophobicContact CG-CB 3.86Å; R360-D402 IonicContact CZ-OD2 3.67Å; R360-D402 IonicContact NE-OD2 3.74Å; R360-D402 PolarHBondContact NE-OD2 2.69Å; R360-D402 IonicContact NH2-OD1 3.85Å; R360-D402 IonicContact NH2-OD2 2.87Å; R360-D402 PolarHBondContact NH2-OD2 3.22Å; V361-D402 PolarHBondContact O-N 3.26Å; C365-D402 PolarHBondContact SG-O 3.35Å; Q381-D402 PolarHBondContact NE2-O 3.2Å; I400-D402 PolarHBondContact O-N 2.84Å; D402-M423 HydrophobicContact CB-CB 3.93Å; D402-M423 HydrophobicContact CB-CG 4.49Å; D402-M423 HydrophobicContact CB-SD 4.23Å; D402-M423 WeakPolarHBondContact OD1-CG 3.31Å; D402-M423 VanDerWaalsContact OD1-SD 3.41Å
403G91Very high93.8Very high13 Ų1339.2 Ų39.213%0.13420%0.201CC..SBendtrans92.9161.3-177.600000113.9I405G403-I405 PolarHBondContact O-N 2.74Å; G403-I405 VanDerWaalsContact O-N 3.15Å
404G88Confident94Very high22 Ų2236 Ų3623%0.22719%0.186CC..  trans71.8-3.7-178.700000116.3C365 Q406 H410C365-G404 WeakPolarHBondContact O-CA 3.45Å; C365-G404 PolarHBondContact O-N 3.16Å; G404-Q406 PolarHBondContact O-N 2.91Å; G404-H410 PolarHBondContact O-ND1 2.55Å
405I92.7Very high94.2Very high6 Ų628.4 Ų28.43%0.03115%0.152CC..  trans-82.3108179.3-48.7-61.4000109.5F58 G403 H410 V411 A414 V422 L427F58-I405 HydrophobicContact CD2-CD1 4.16Å; F58-I405 HydrophobicContact CE2-CD1 3.48Å; F58-I405 VanDerWaalsContact CE2-CD1 3.48Å; F58-I405 HydrophobicContact CZ-CD1 3.93Å; G403-I405 PolarHBondContact O-N 2.74Å; G403-I405 VanDerWaalsContact O-N 3.15Å; I405-H410 HydrophobicContact CD1-CB 4.12Å; I405-H410 HydrophobicContact CG2-CB 4.25Å; I405-V411 HydrophobicContact CG2-CG2 3.61Å; I405-A414 HydrophobicContact CD1-CB 4.16Å; I405-V422 HydrophobicContact CD1-CG1 4.37Å; I405-V422 HydrophobicContact CG1-CB 4.4Å; I405-L427 HydrophobicContact CB-CD1 4.49Å; I405-L427 HydrophobicContact CG2-CD1 3.72Å
406Q87.4Confident94.2Very high134 Ų13424.4 Ų24.463%0.62614%0.135SC*.  trans-115.7-23.5-175.8-66.2178.7-1500113.2G404 H410 L427G404-Q406 PolarHBondContact O-N 2.91Å; Q406-H410 PolarHBondContact N-ND1 3.09Å; Q406-L427 WeakPolarHBondContact O-CD2 3.4Å
407C90.2Very high94.2Very high58 Ų5818 Ų1839%0.39211%0.111SC..SBendtrans-148.5171-178.668.20000110.2G409 H410C407-G409 VanDerWaalsContact C-N 3.27Å; C407-G409 PolarHBondContact O-N 2.77Å; C407-H410 WeakPolarHBondContact O-CB 3.29Å; C407-H410 PolarHBondContact O-N 3.44Å; C407-H410 VanDerWaalsContact O-N 3.11Å; C407-H410 VanDerWaalsContact SG-CD2 3.58Å
408L93Very high94.1Very high32 Ų3217.9 Ų17.917%0.16811%0.111CC..Hα-helixtrans-59.1-38.4179.9-7388.4000112.4H410 V411 T412 Y498 L499 G502L408-H410 PolarHBondContact O-N 2.61Å; L408-V411 WeakPolarHBondContact O-CA 3.34Å; L408-V411 VanDerWaalsContact O-CB 3.29Å; L408-V411 WeakPolarHBondContact O-CB 3.45Å; L408-V411 PolarHBondContact O-N 3.48Å; L408-T412 PolarHBondContact O-N 3.36Å; L408-T412 VanDerWaalsContact O-N 3.09Å; L408-T412 PolarHBondContact O-OG1 2.89Å; L408-Y498 HydrophobicContact CD1-CD1 4.36Å; L408-Y498 HydrophobicContact CD1-CE1 3.52Å; L408-Y498 HydrophobicContact CD2-CE1 4.38Å; L408-L499 HydrophobicContact CD1-CD2 3.76Å; L408-L499 HydrophobicContact CD2-CD2 4.24Å; L408-L499 HydrophobicContact CG-CD2 3.69Å; L408-G502 VanDerWaalsContact CD2-CA 3.45Å
409G94.3Very high94Very high33 Ų3317.9 Ų17.934%0.3411%0.11SC..Hα-helixtrans-58.8-33.1177.500000113.1C407 V411 T412 K413C407-G409 VanDerWaalsContact C-N 3.27Å; C407-G409 PolarHBondContact O-N 2.77Å; G409-V411 VanDerWaalsContact C-N 3.32Å; G409-T412 PolarHBondContact O-N 2.9Å; G409-K413 WeakPolarHBondContact O-CB 3.28Å; G409-K413 WeakPolarHBondContact O-CG 3.13Å; G409-K413 PolarHBondContact O-N 2.69Å
410H95.8Very high94Very high22 Ų2217.9 Ų17.910%0.10211%0.111CC..Hα-helixtrans-69.1-32.2175-66.3-176000111.9F58 G404 I405 Q406 C407 L408 A414F58-H410 HydrophobicContact CB-CB 4.2Å; F58-H410 HydrophobicContact CD2-CB 4.03Å; F58-H410 HydrophobicContact CG-CB 4.24Å; G404-H410 PolarHBondContact O-ND1 2.55Å; I405-H410 HydrophobicContact CD1-CB 4.12Å; I405-H410 HydrophobicContact CG2-CB 4.25Å; Q406-H410 PolarHBondContact N-ND1 3.09Å; C407-H410 WeakPolarHBondContact O-CB 3.29Å; C407-H410 PolarHBondContact O-N 3.44Å; C407-H410 VanDerWaalsContact O-N 3.11Å; C407-H410 VanDerWaalsContact SG-CD2 3.58Å; L408-H410 PolarHBondContact O-N 2.61Å; H410-A414 VanDerWaalsContact O-CB 3.28Å; H410-A414 WeakPolarHBondContact O-CB 3.35Å; H410-A414 PolarHBondContact O-N 2.73Å
411V95.8Very high94Very high1 Ų117.9 Ų17.91%0.00611%0.111CC..Hα-helixtrans-64.6-53.6173.6-178.20000109.9F91 I405 L408 G409 K413 A414 L415 V422 V503F91-V411 HydrophobicContact CE1-CG1 3.93Å; F91-V411 HydrophobicContact CE1-CG2 4.39Å; I405-V411 HydrophobicContact CG2-CG2 3.61Å; L408-V411 WeakPolarHBondContact O-CA 3.34Å; L408-V411 VanDerWaalsContact O-CB 3.29Å; L408-V411 WeakPolarHBondContact O-CB 3.45Å; L408-V411 PolarHBondContact O-N 3.48Å; G409-V411 VanDerWaalsContact C-N 3.32Å; V411-K413 VanDerWaalsContact C-N 3.28Å; V411-K413 PolarHBondContact O-N 2.99Å; V411-A414 PolarHBondContact O-N 2.93Å; V411-A414 VanDerWaalsContact O-N 3.11Å; V411-L415 HydrophobicContact CG1-CD1 3.99Å; V411-L415 HydrophobicContact CG1-CG 4.36Å; V411-L415 WeakPolarHBondContact O-CG 3.41Å; V411-L415 PolarHBondContact O-N 3.33Å; V411-V422 HydrophobicContact CB-CG2 4.48Å; V411-V422 HydrophobicContact CG1-CG1 4.03Å; V411-V422 HydrophobicContact CG1-CG2 3.8Å; V411-V422 HydrophobicContact CG2-CG2 4.08Å; V411-V503 HydrophobicContact CB-CG2 4.07Å; V411-V503 HydrophobicContact CG1-CG2 3.7Å
412T95Very high94Very high13 Ų1317.9 Ų17.98%0.0811%0.111CC..Hα-helixtrans-56.2-44.6179.5-52.10000111.1I63 L408 G409 L415 A416I63-T412 HydrophobicContact CD1-CG2 4.2Å; L408-T412 PolarHBondContact O-N 3.36Å; L408-T412 VanDerWaalsContact O-N 3.09Å; L408-T412 PolarHBondContact O-OG1 2.89Å; G409-T412 PolarHBondContact O-N 2.9Å; T412-L415 PolarHBondContact O-N 3.37Å; T412-A416 WeakPolarHBondContact O-CB 3.31Å; T412-A416 PolarHBondContact O-N 2.97Å
413K95.2Very high94Very high21 Ų2117.2 Ų17.29%0.09111%0.107CC..Hα-helixtrans-61.9-47.2175-70.7176-167.1-174.90112.5F58 F61 I63 G409 V411 L415 A416 L417F58-K413 HydrophobicContact CB-CD 4.31Å; F58-K413 HydrophobicContact CD1-CB 4.06Å; F58-K413 WeakPolarHBondContact O-CD 3.37Å; F58-K413 WeakPolarHBondContact O-CE 3.28Å; F58-K413 PolarHBondContact O-NZ 3.27Å; F61-K413 HydrophobicContact CD2-CD 4.45Å; F61-K413 HydrophobicContact CE2-CB 3.98Å; F61-K413 HydrophobicContact CE2-CD 3.94Å; F61-K413 HydrophobicContact CE2-CG 3.84Å; F61-K413 HydrophobicContact CZ-CB 3.92Å; F61-K413 HydrophobicContact CZ-CD 4.11Å; F61-K413 HydrophobicContact CZ-CG 4.19Å; F61-K413 VanDerWaalsContact O-CE 3.32Å; F61-K413 WeakPolarHBondContact O-CE 3.29Å; F61-K413 PolarHBondContact O-NZ 2.85Å; I63-K413 HydrophobicContact CD1-CG 4.26Å; I63-K413 HydrophobicContact CG1-CG 4.28Å; G409-K413 WeakPolarHBondContact O-CB 3.28Å; G409-K413 WeakPolarHBondContact O-CG 3.13Å; G409-K413 PolarHBondContact O-N 2.69Å; V411-K413 VanDerWaalsContact C-N 3.28Å; V411-K413 PolarHBondContact O-N 2.99Å; K413-L415 VanDerWaalsContact C-N 3.29Å; K413-L415 PolarHBondContact O-N 2.85Å; K413-A416 PolarHBondContact O-N 3.1Å; K413-L417 WeakPolarHBondContact O-CB 3.13Å; K413-L417 VanDerWaalsContact O-CG 3.25Å; K413-L417 WeakPolarHBondContact O-CG 3.43Å; K413-L417 PolarHBondContact O-N 2.93Å
414A95.7Very high94.3Very high0 Ų016.7 Ų16.70%010%0.101CC..Hα-helixtrans-58.7-41.7178.900000112.3F58 A401 I405 H410 V411 L417 A419 V422F58-A414 HydrophobicContact CE1-CB 3.76Å; F58-A414 HydrophobicContact CZ-CB 3.76Å; A401-A414 HydrophobicContact CB-CB 3.94Å; I405-A414 HydrophobicContact CD1-CB 4.16Å; H410-A414 VanDerWaalsContact O-CB 3.28Å; H410-A414 WeakPolarHBondContact O-CB 3.35Å; H410-A414 PolarHBondContact O-N 2.73Å; V411-A414 PolarHBondContact O-N 2.93Å; V411-A414 VanDerWaalsContact O-N 3.11Å; A414-L417 PolarHBondContact O-N 2.68Å; A414-A419 HydrophobicContact CB-CB 4.38Å; A414-A419 WeakPolarHBondContact O-CB 3.36Å; A414-A419 PolarHBondContact O-N 2.91Å; A414-V422 HydrophobicContact CB-CG1 3.79Å
415L95.2Very high94.6Very high0 Ų016.2 Ų16.20%010%0.096CC..Hα-helixtrans-66.1-45.2177.2-63176.9000111.7P90 V411 T412 K413 L417 G418 V422 V503 V515P90-L415 HydrophobicContact CB-CD1 4.3Å; P90-L415 HydrophobicContact CB-CD2 3.99Å; P90-L415 HydrophobicContact CG-CD1 3.85Å; P90-L415 HydrophobicContact CG-CD2 4.45Å; V411-L415 HydrophobicContact CG1-CD1 3.99Å; V411-L415 HydrophobicContact CG1-CG 4.36Å; V411-L415 WeakPolarHBondContact O-CG 3.41Å; V411-L415 PolarHBondContact O-N 3.33Å; T412-L415 PolarHBondContact O-N 3.37Å; K413-L415 VanDerWaalsContact C-N 3.29Å; K413-L415 PolarHBondContact O-N 2.85Å; L415-L417 VanDerWaalsContact C-N 3.27Å; L415-L417 PolarHBondContact O-N 2.67Å; L415-G418 PolarHBondContact O-N 3.23Å; L415-V422 HydrophobicContact CD2-CG1 4.48Å; L415-V503 HydrophobicContact CD1-CG1 4.05Å; L415-V515 HydrophobicContact CB-CG1 4.21Å; L415-V515 HydrophobicContact CD1-CG1 4.3Å; L415-V515 HydrophobicContact CD1-CG2 3.9Å; L415-V515 HydrophobicContact CD2-CG1 3.92Å; L415-V515 HydrophobicContact CG-CG1 4.35Å
416A93.4Very high94.5Very high0 Ų017.2 Ų17.20%010%0.104CC..Hα-helixtrans-62.2-33.2175.700000112.9I63 T412 K413 G418 A537 F544I63-A416 HydrophobicContact CD1-CB 3.55Å; T412-A416 WeakPolarHBondContact O-CB 3.31Å; T412-A416 PolarHBondContact O-N 2.97Å; K413-A416 PolarHBondContact O-N 3.1Å; A416-G418 PolarHBondContact O-N 3.32Å; A416-A537 VanDerWaalsContact O-CB 3.27Å; A416-A537 WeakPolarHBondContact O-CB 3.49Å; A416-F544 HydrophobicContact CB-CE1 4.28Å; A416-F544 HydrophobicContact CB-CZ 4.34Å
417L93.5Very high94.8Very high0 Ų011.6 Ų11.60%08%0.078CC..THydrogen-bonded Turntrans-71.9-4.2173.8-68.4-169.6000114.1L14 F18 F58 F61 G382 V385 Y386 K413 A414 L415L14-L417 HydrophobicContact CD2-CD2 3.48Å; L14-L417 VanDerWaalsContact CD2-CD2 3.48Å; F18-L417 HydrophobicContact CE2-CD1 4.45Å; F18-L417 HydrophobicContact CE2-CD2 3.43Å; F18-L417 VanDerWaalsContact CE2-CD2 3.43Å; F18-L417 HydrophobicContact CZ-CD1 3.99Å; F18-L417 HydrophobicContact CZ-CD2 3.78Å; F58-L417 HydrophobicContact CD1-CD1 4.35Å; F58-L417 HydrophobicContact CE1-CD1 4.07Å; F61-L417 HydrophobicContact CE1-CD1 4.14Å; F61-L417 HydrophobicContact CE2-CD2 4.19Å; F61-L417 HydrophobicContact CE2-CG 4.44Å; F61-L417 HydrophobicContact CZ-CD1 3.66Å; F61-L417 HydrophobicContact CZ-CD2 3.93Å; F61-L417 HydrophobicContact CZ-CG 3.89Å; G382-L417 WeakPolarHBondContact O-CD1 3.27Å; V385-L417 HydrophobicContact CG1-CB 3.95Å; Y386-L417 WeakPolarHBondContact CA-O 3.39Å; K413-L417 WeakPolarHBondContact O-CB 3.13Å; K413-L417 VanDerWaalsContact O-CG 3.25Å; K413-L417 WeakPolarHBondContact O-CG 3.43Å; K413-L417 PolarHBondContact O-N 2.93Å; A414-L417 PolarHBondContact O-N 2.68Å; L415-L417 VanDerWaalsContact C-N 3.27Å; L415-L417 PolarHBondContact O-N 2.67Å
418G92.9Very high95Very high3 Ų38.9 Ų8.93%0.0316%0.059CC..THydrogen-bonded Turntrans106.61.9176.300000115A389 L415 A416 R534A389-G418 WeakPolarHBondContact CB-O 3.35Å; L415-G418 PolarHBondContact O-N 3.23Å; A416-G418 PolarHBondContact O-N 3.32Å; G418-R534 PolarHBondContact O-NE 2.87Å; G418-R534 PolarHBondContact O-NH2 3.15Å
419A95.5Very high95Very high0 Ų07.3 Ų7.30%05%0.051CC..  trans-60148.3167.900000110.2V385 A401 A414 R534V385-A419 HydrophobicContact CG1-CB 3.89Å; A401-A419 HydrophobicContact CB-CB 3.87Å; A414-A419 HydrophobicContact CB-CB 4.38Å; A414-A419 WeakPolarHBondContact O-CB 3.36Å; A414-A419 PolarHBondContact O-N 2.91Å; A419-R534 VanDerWaalsContact C-NH2 3.3Å; A419-R534 PolarHBondContact O-NH2 3.32Å
420S96.1Very high95Very high2 Ų25.8 Ų5.81%0.0144%0.036CC..SBendtrans-94.8-37.5173.1-51.40000110.7S79 N80 V399 R534S79-S420 VanDerWaalsContact CB-O 3.22Å; S79-S420 WeakPolarHBondContact CB-O 3.13Å; S79-S420 PolarHBondContact OG-O 2.7Å; N80-S420 WeakPolarHBondContact O-CB 3.12Å; V399-S420 PolarHBondContact N-OG 3.41Å; V399-S420 PolarHBondContact O-N 3.4Å; S420-R534 PolarHBondContact OG-NH2 3.05Å
421T97.8Very high95Very high0 Ų04.8 Ų4.80%03%0.031CC..EExtended strand (participates in β ladder)trans-139.2166.1174.264.50000110.2L81 L87 P90 V92 V399 I400 A401L81-T421 HydrophobicContact CD1-CG2 4.37Å; L87-T421 HydrophobicContact CD1-CG2 4.36Å; P90-T421 HydrophobicContact CB-CG2 4.45Å; P90-T421 WeakPolarHBondContact O-CA 3.29Å; P90-T421 WeakPolarHBondContact O-CB 3.27Å; V92-T421 HydrophobicContact CG2-CG2 4.47Å; V399-T421 PolarHBondContact O-N 3.45Å; I400-T421 WeakPolarHBondContact CA-O 3.49Å; I400-T421 WeakPolarHBondContact CG1-OG1 3.31Å; A401-T421 PolarHBondContact N-O 2.97Å
422V97.9Very high95Very high0 Ų09.8 Ų9.80%06%0.057CC..EExtended strand (participates in β ladder)trans-117.8138.9174-60.10000110.1P90 F91 V92 A401 I405 V411 A414 L415 M424P90-V422 WeakPolarHBondContact O-CG2 3.29Å; P90-V422 PolarHBondContact O-N 2.8Å; F91-V422 HydrophobicContact CD1-CG2 3.84Å; F91-V422 HydrophobicContact CE1-CG2 4.22Å; V92-V422 PolarHBondContact N-O 2.89Å; A401-V422 HydrophobicContact CB-CG1 4.34Å; A401-V422 WeakPolarHBondContact O-CA 3.42Å; I405-V422 HydrophobicContact CD1-CG1 4.37Å; I405-V422 HydrophobicContact CG1-CB 4.4Å; V411-V422 HydrophobicContact CB-CG2 4.48Å; V411-V422 HydrophobicContact CG1-CG1 4.03Å; V411-V422 HydrophobicContact CG1-CG2 3.8Å; V411-V422 HydrophobicContact CG2-CG2 4.08Å; A414-V422 HydrophobicContact CB-CG1 3.79Å; L415-V422 HydrophobicContact CD2-CG1 4.48Å; V422-M424 HydrophobicContact CG2-CG 4.32Å
423M98.3Very high95.1Very high2 Ų210.6 Ų10.61%0.016%0.06CC..EExtended strand (participates in β ladder)trans-100.8126.6174.2-177.3174.3-75.800110.5V92 P95 I116 R360 I400 A401 D402V92-M423 HydrophobicContact CB-CB 4.39Å; V92-M423 HydrophobicContact CG1-CE 3.69Å; V92-M423 CarbonylContact O-C 3.55Å; V92-M423 VanDerWaalsContact O-CA 3.27Å; V92-M423 WeakPolarHBondContact O-CA 3.37Å; P95-M423 VanDerWaalsContact CD-SD 3.56Å; I116-M423 HydrophobicContact CG1-CE 4.05Å; R360-M423 PolarHBondContact NE-SD 2.7Å; R360-M423 PolarHBondContact NH2-SD 2.94Å; R360-M423 VanDerWaalsContact NH2-SD 3.37Å; I400-M423 HydrophobicContact CG2-CB 3.79Å; A401-M423 PolarHBondContact O-N 2.99Å; D402-M423 HydrophobicContact CB-CB 3.93Å; D402-M423 HydrophobicContact CB-CG 4.49Å; D402-M423 HydrophobicContact CB-SD 4.23Å; D402-M423 WeakPolarHBondContact OD1-CG 3.31Å; D402-M423 VanDerWaalsContact OD1-SD 3.41Å
424M96.2Very high95.2Very high1 Ų19.8 Ų9.81%0.0056%0.057CC..EExtended strand (participates in β ladder)trans-115.3120.2-171.9-62.9-176-60.700110.6F91 V92 S94 M108 V422 L427 L428 L499F91-M424 HydrophobicContact CB-CE 3.7Å; F91-M424 HydrophobicContact CD1-CE 3.6Å; F91-M424 HydrophobicContact CD1-SD 3.97Å; F91-M424 HydrophobicContact CE1-CE 4.48Å; F91-M424 HydrophobicContact CE1-SD 4.44Å; F91-M424 HydrophobicContact CG-CE 3.84Å; V92-M424 PolarHBondContact O-N 3.16Å; S94-M424 WeakPolarHBondContact CB-O 3.36Å; S94-M424 PolarHBondContact N-O 2.88Å; M108-M424 HydrophobicContact CE-CE 4.23Å; V422-M424 HydrophobicContact CG2-CG 4.32Å; M424-L427 HydrophobicContact CB-CB 4.27Å; M424-L427 HydrophobicContact CG-CD1 4.14Å; M424-L427 HydrophobicContact SD-CB 4.45Å; M424-L427 HydrophobicContact SD-CD1 3.79Å; M424-L428 HydrophobicContact CB-CD1 3.96Å; M424-L428 HydrophobicContact CB-CG 3.97Å; M424-L428 HydrophobicContact CE-CD1 4.05Å; M424-L428 HydrophobicContact CE-CD2 4.21Å; M424-L428 HydrophobicContact CE-CG 4.22Å; M424-L499 HydrophobicContact CE-CD1 3.96Å; M424-L499 HydrophobicContact SD-CD1 3.87Å
425G93.8Very high95.1Very high12 Ų1210.6 Ų10.612%0.1246%0.063CC..SBendtrans-100.1-83.6171.600000110.9L427 L428 A429G425-L427 VanDerWaalsContact C-N 3.26Å; G425-L427 PolarHBondContact O-N 3.17Å; G425-L427 VanDerWaalsContact O-N 3.17Å; G425-L428 PolarHBondContact O-N 2.89Å; G425-A429 PolarHBondContact O-N 2.95Å
426S91.8Very high94.8Very high27 Ų2713.3 Ų13.319%0.1899%0.091CC..THydrogen-bonded Turntrans-57.4-31.3-174.653.90000115.2L428 Y449 K489S426-L428 VanDerWaalsContact C-N 3.27Å; S426-L428 PolarHBondContact O-N 2.76Å; S426-Y449 PolarHBondContact N-OH 2.87Å; S426-Y449 VanDerWaalsContact N-OH 3.13Å; S426-K489 WeakPolarHBondContact O-CE 3.3Å; S426-K489 PolarHBondContact O-NZ 3.45Å
427L92.5Very high94.7Very high17 Ų1720.4 Ų20.49%0.08913%0.129CC..THydrogen-bonded Turntrans-63-34.1174.8-81.5178.4000112.6I405 Q406 M424 G425 K489 F495I405-L427 HydrophobicContact CB-CD1 4.49Å; I405-L427 HydrophobicContact CG2-CD1 3.72Å; Q406-L427 WeakPolarHBondContact O-CD2 3.4Å; M424-L427 HydrophobicContact CB-CB 4.27Å; M424-L427 HydrophobicContact CG-CD1 4.14Å; M424-L427 HydrophobicContact SD-CB 4.45Å; M424-L427 HydrophobicContact SD-CD1 3.79Å; G425-L427 VanDerWaalsContact C-N 3.26Å; G425-L427 PolarHBondContact O-N 3.17Å; G425-L427 VanDerWaalsContact O-N 3.17Å; L427-K489 VanDerWaalsContact O-CD 3.24Å; L427-K489 WeakPolarHBondContact O-CD 3.14Å; L427-F495 HydrophobicContact CB-CE1 4.42Å; L427-F495 HydrophobicContact CD2-CZ 4.24Å; L427-F495 VanDerWaalsContact O-CE1 3.29Å; L427-F495 WeakPolarHBondContact O-CE1 3.38Å
428L95.6Very high94.6Very high0 Ų022.6 Ų22.60%014%0.137CC..THydrogen-bonded Turntrans-99.4-22.9-178.6-62.4-179.3000112.4S93 V99 M104 M108 M424 G425 S426 T431 F495S93-L428 VanDerWaalsContact CB-CD1 3.48Å; V99-L428 HydrophobicContact CG1-CB 4Å; M104-L428 HydrophobicContact CE-CB 3.87Å; M104-L428 HydrophobicContact SD-CB 4.36Å; M104-L428 HydrophobicContact SD-CD1 4.03Å; M108-L428 HydrophobicContact CE-CD1 4.15Å; M108-L428 HydrophobicContact SD-CD1 3.85Å; M108-L428 HydrophobicContact SD-CD2 4.37Å; M424-L428 HydrophobicContact CB-CD1 3.96Å; M424-L428 HydrophobicContact CB-CG 3.97Å; M424-L428 HydrophobicContact CE-CD1 4.05Å; M424-L428 HydrophobicContact CE-CD2 4.21Å; M424-L428 HydrophobicContact CE-CG 4.22Å; G425-L428 PolarHBondContact O-N 2.89Å; S426-L428 VanDerWaalsContact C-N 3.27Å; S426-L428 PolarHBondContact O-N 2.76Å; L428-T431 WeakPolarHBondContact O-CB 3.31Å; L428-T431 VanDerWaalsContact O-CG2 3.26Å; L428-T431 WeakPolarHBondContact O-CG2 3.5Å; L428-T431 PolarHBondContact O-N 3.2Å; L428-T431 PolarHBondContact O-OG1 3.11Å; L428-F495 HydrophobicContact CD2-CD1 4.3Å; L428-F495 HydrophobicContact CD2-CE1 4.49Å
429A93.4Very high94.7Very high0 Ų025.7 Ų25.70%015%0.15CC..THydrogen-bonded Turntrans-58.4139.4170.300000110V99 G425 T431 Y449 V486 K489V99-A429 HydrophobicContact CG2-CB 4.05Å; G425-A429 PolarHBondContact O-N 2.95Å; A429-T431 VanDerWaalsContact C-N 3.3Å; A429-Y449 HydrophobicContact CB-CD2 3.42Å; A429-Y449 VanDerWaalsContact CB-CD2 3.42Å; A429-Y449 HydrophobicContact CB-CE2 3.78Å; A429-Y449 HydrophobicContact CB-CG 3.91Å; A429-V486 HydrophobicContact CB-CG1 4.43Å; A429-V486 HydrophobicContact CB-CG2 3.82Å; A429-K489 PolarHBondContact O-NZ 2.79Å
430G93.5Very high94.6Very high1 Ų134.2 Ų34.21%0.0118%0.182CC..THydrogen-bonded Turntrans84.9-4-176.200000114.8Y438 D488 K489G430-Y438 PolarHBondContact O-OH 2.78Å; G430-Y438 VanDerWaalsContact O-OH 3.12Å; G430-D488 WeakPolarHBondContact O-CA 3.49Å; G430-D488 VanDerWaalsContact O-OD1 3.13Å; G430-K489 PolarHBondContact O-N 3.43Å; G430-K489 VanDerWaalsContact O-N 3.13Å
431T96.3Very high94.5Very high0 Ų035.8 Ų35.80%020%0.195CC..BIsolated β-bridgetrans-74.4162.8169.658.60000111.5M104 L428 A429 E433 A434 Y438 K447 K489 G490 V492M104-T431 VanDerWaalsContact CE-OG1 3.24Å; M104-T431 WeakPolarHBondContact CE-OG1 3.29Å; L428-T431 WeakPolarHBondContact O-CB 3.31Å; L428-T431 VanDerWaalsContact O-CG2 3.26Å; L428-T431 WeakPolarHBondContact O-CG2 3.5Å; L428-T431 PolarHBondContact O-N 3.2Å; L428-T431 PolarHBondContact O-OG1 3.11Å; A429-T431 VanDerWaalsContact C-N 3.3Å; T431-E433 VanDerWaalsContact C-N 3.26Å; T431-E433 PolarHBondContact O-N 3.33Å; T431-A434 WeakPolarHBondContact O-CB 3.48Å; T431-A434 PolarHBondContact O-N 3.45Å; T431-A434 PolarHBondContact OG1-N 2.86Å; T431-Y438 VanDerWaalsContact C-OH 3.27Å; T431-Y438 PolarHBondContact O-OH 3.13Å; T431-K447 PolarHBondContact O-NZ 3.38Å; T431-K489 HydrophobicContact CG2-CB 4.05Å; T431-G490 CarbonylContact C-O 3.53Å; T431-G490 WeakPolarHBondContact CA-O 3.41Å; T431-G490 VanDerWaalsContact CB-O 3.28Å; T431-G490 WeakPolarHBondContact CB-O 3.22Å; T431-V492 HydrophobicContact CG2-CG2 3.92Å
432L95.7Very high94.2Very high106 Ų10643.8 Ų43.856%0.55524%0.238SC*.THydrogen-bonded Turntrans-57.4-41.6179.6-179.462.2000111.7Y438 K447 G490L432-Y438 WeakPolarHBondContact CA-OH 3.47Å; L432-Y438 HydrophobicContact CD1-CE2 4.2Å; L432-Y438 PolarHBondContact N-OH 3.22Å; L432-K447 PolarHBondContact O-NZ 3.11Å; L432-G490 PolarHBondContact N-O 3.04Å
433E97.1Very high93.9Very high31 Ų3147 Ų4715%0.14527%0.271CS..THydrogen-bonded Turntrans-80.8-14.1-176-61.279.8-174.200114.1M104 A107 T431 S491 V492 H493M104-E433 HydrophobicContact CE-CB 4.46Å; M104-E433 PolarHBondContact N-O 2.96Å; A107-E433 HydrophobicContact CB-CB 4.4Å; A107-E433 HydrophobicContact CB-CG 3.91Å; T431-E433 VanDerWaalsContact C-N 3.26Å; T431-E433 PolarHBondContact O-N 3.33Å; E433-S491 WeakPolarHBondContact OE1-CB 3.49Å; E433-S491 PolarHBondContact OE1-OG 3Å; E433-S491 WeakPolarHBondContact OE2-CA 3.5Å; E433-V492 HydrophobicContact CB-CG2 4.23Å; E433-V492 WeakPolarHBondContact OE2-CB 3.37Å; E433-V492 VanDerWaalsContact OE2-CG2 3.31Å; E433-V492 WeakPolarHBondContact OE2-CG2 3.12Å; E433-V492 PolarHBondContact OE2-N 3.18Å; E433-H493 IonicContact OE1-CD2 3.29Å
434A96.6Very high93.7Very high4 Ų451 Ų513%0.03329%0.292CS..SBendtrans-67.3139.417100000109.9M104 T431 K447M104-A434 HydrophobicContact CE-CB 4.03Å; T431-A434 WeakPolarHBondContact O-CB 3.48Å; T431-A434 PolarHBondContact O-N 3.45Å; T431-A434 PolarHBondContact OG1-N 2.86Å; A434-K447 PolarHBondContact O-NZ 3.12Å
435P93.9Very high93.6Very high17 Ų1755.6 Ų55.611%0.1131%0.309CS..SBendtrans-63.6159.7-178.728.2-36.6000112.6D97 V99 E101D97-P435 WeakPolarHBondContact O-CG 3.37Å; V99-P435 VanDerWaalsContact O-CD 3.25Å; V99-P435 WeakPolarHBondContact O-CD 3.42Å; E101-P435 HydrophobicContact CG-CB 4.06Å; E101-P435 HydrophobicContact CG-CG 4.2Å
436G89.5Confident93.6Very high57 Ų5755.9 Ų55.959%0.58831%0.308SS*.SBendtrans91.7159.418000000114.4K447G436-K447 WeakPolarHBondContact O-CE 3.49Å; G436-K447 PolarHBondContact O-NZ 3.2Å
437D90.4Very high93.7Very high149 Ų14954.9 Ų54.980%0.79730%0.3SS*.  trans-84.4149.3-177.8-61.5-54.1000112.4
438Y92.5Very high93.6Very high46 Ų4660.8 Ų60.818%0.1833%0.325CS..  trans-75143.3167.4-71-81000110.4G430 T431 L432 R445 L446 K447 D488G430-Y438 PolarHBondContact O-OH 2.78Å; G430-Y438 VanDerWaalsContact O-OH 3.12Å; T431-Y438 VanDerWaalsContact C-OH 3.27Å; T431-Y438 PolarHBondContact O-OH 3.13Å; L432-Y438 WeakPolarHBondContact CA-OH 3.47Å; L432-Y438 HydrophobicContact CD1-CE2 4.2Å; L432-Y438 PolarHBondContact N-OH 3.22Å; Y438-R445 HydrophobicContact CD1-CG 3.81Å; Y438-R445 HydrophobicContact CG-CG 4.24Å; Y438-L446 WeakPolarHBondContact CA-O 3.48Å; Y438-K447 HydrophobicContact CD1-CD 4.24Å; Y438-K447 HydrophobicContact CD1-CG 3.58Å; Y438-K447 HydrophobicContact CE1-CD 3.99Å; Y438-K447 HydrophobicContact CE1-CG 3.73Å; Y438-K447 HydrophobicContact CG-CG 4.11Å; Y438-K447 VanDerWaalsContact CZ-CE 3.41Å; Y438-D488 HydrophobicContact CD1-CB 4.3Å; Y438-D488 HydrophobicContact CE1-CB 3.63Å; Y438-D488 WeakPolarHBondContact CE1-OD1 3.29Å; Y438-D488 PolarHBondContact OH-OD1 2.93Å
439F93.7Very high93.4Very high68 Ų6861.3 Ų61.330%0.29833%0.327SS..EExtended strand (participates in β ladder)trans-135.1167.6168.265.8-83.6000109.8A441 L446 K448 T485F439-A441 HydrophobicContact CE2-CB 4.35Å; F439-L446 HydrophobicContact CE1-CB 4.14Å; F439-L446 HydrophobicContact CE2-CB 4.01Å; F439-L446 HydrophobicContact CE2-CD1 4.09Å; F439-L446 HydrophobicContact CZ-CB 3.8Å; F439-L446 HydrophobicContact CZ-CD1 4.34Å; F439-L446 PolarHBondContact N-O 3.3Å; F439-L446 PolarHBondContact O-N 3.26Å; F439-K448 HydrophobicContact CE1-CG 3.78Å; F439-K448 HydrophobicContact CZ-CG 4.45Å; F439-T485 HydrophobicContact CE2-CG2 4.47Å; F439-T485 HydrophobicContact CZ-CG2 3.65Å
440W94.5Very high93.1Very high178 Ų17863.5 Ų63.567%0.67434%0.335SS*.EExtended strand (participates in β ladder)trans-109.3135.5179.3-66.391.2000110G443 I444 R445W440-G443 WeakPolarHBondContact CZ3-O 3.24Å; W440-I444 WeakPolarHBondContact CA-O 3.25Å; W440-R445 HydrophobicContact CD2-CB 4.21Å; W440-R445 HydrophobicContact CD2-CG 4.41Å; W440-R445 HydrophobicContact CE3-CB 3.96Å; W440-R445 HydrophobicContact CH2-CB 3.78Å; W440-R445 HydrophobicContact CH2-CG 4.31Å; W440-R445 HydrophobicContact CZ2-CB 4.02Å; W440-R445 HydrophobicContact CZ2-CG 4.04Å; W440-R445 HydrophobicContact CZ3-CB 3.74Å
441A92.7Very high92.6Very high36 Ų3663.7 Ų63.730%0.29834%0.337SS..EExtended strand (participates in β ladder)trans-140.6131.9167.100000108.3F439 G443 I444 L446F439-A441 HydrophobicContact CE2-CB 4.35Å; A441-G443 PolarHBondContact O-N 2.87Å; A441-G443 VanDerWaalsContact O-N 3.12Å; A441-I444 PolarHBondContact N-O 2.81Å; A441-I444 PolarHBondContact O-N 3.07Å; A441-L446 HydrophobicContact CB-CD1 3.8Å
442D92Very high91.9Very high167 Ų16764 Ų6489%0.89334%0.339SS*.THydrogen-bonded Turntrans51.136.6-179.9-53.8-35.7000114.2I444D442-I444 PolarHBondContact O-N 3.13Å
443G92.7Very high91.1Very high67 Ų6759 Ų5969%0.69131%0.312SS*.THydrogen-bonded Turntrans75.13.3-178.300000114.9W440 A441W440-G443 WeakPolarHBondContact CZ3-O 3.24Å; A441-G443 PolarHBondContact O-N 2.87Å; A441-G443 VanDerWaalsContact O-N 3.12Å
444I93.1Very high90.4Very high88 Ų8857.7 Ų57.745%0.45131%0.306SS..EExtended strand (participates in β ladder)trans-103.6133.9178.6-54.6175.4000109.4W440 A441 D442 L446 T487W440-I444 WeakPolarHBondContact CA-O 3.25Å; A441-I444 PolarHBondContact N-O 2.81Å; A441-I444 PolarHBondContact O-N 3.07Å; D442-I444 PolarHBondContact O-N 3.13Å; I444-L446 HydrophobicContact CB-CD2 4.34Å; I444-L446 HydrophobicContact CG2-CD2 3.62Å; I444-L446 HydrophobicContact CG2-CG 4.22Å; I444-T487 HydrophobicContact CG2-CG2 3.85Å
445R93.8Very high89.7Confident97 Ų9760.9 Ų60.937%0.36632%0.322SS..EExtended strand (participates in β ladder)trans-81.1122.7173.4-163.9-179-176.5-161.59.8110.1Y438 W440 D488Y438-R445 HydrophobicContact CD1-CG 3.81Å; Y438-R445 HydrophobicContact CG-CG 4.24Å; W440-R445 HydrophobicContact CD2-CB 4.21Å; W440-R445 HydrophobicContact CD2-CG 4.41Å; W440-R445 HydrophobicContact CE3-CB 3.96Å; W440-R445 HydrophobicContact CH2-CB 3.78Å; W440-R445 HydrophobicContact CH2-CG 4.31Å; W440-R445 HydrophobicContact CZ2-CB 4.02Å; W440-R445 HydrophobicContact CZ2-CG 4.04Å; W440-R445 HydrophobicContact CZ3-CB 3.74Å; R445-D488 HydrophobicContact CB-CB 4.28Å; R445-D488 WeakPolarHBondContact CD-OD2 3.43Å; R445-D488 HydrophobicContact CG-CB 4.37Å; R445-D488 IonicContact CZ-OD2 3.76Å; R445-D488 IonicContact NE-OD2 2.84Å; R445-D488 IonicContact NH1-OD2 3.8Å; R445-D488 PolarHBondContact NH1-OD2 2.88Å; R445-D488 PolarHBondContact O-N 3.36Å
446L94.1Very high89Confident18 Ų1863.3 Ų63.39%0.09434%0.335CS..EExtended strand (participates in β ladder)trans-128.5157.6-171.7-58177000111.9Y438 F439 A441 I444 V486 T487Y438-L446 WeakPolarHBondContact CA-O 3.48Å; F439-L446 HydrophobicContact CE1-CB 4.14Å; F439-L446 HydrophobicContact CE2-CB 4.01Å; F439-L446 HydrophobicContact CE2-CD1 4.09Å; F439-L446 HydrophobicContact CZ-CB 3.8Å; F439-L446 HydrophobicContact CZ-CD1 4.34Å; F439-L446 PolarHBondContact N-O 3.3Å; F439-L446 PolarHBondContact O-N 3.26Å; A441-L446 HydrophobicContact CB-CD1 3.8Å; I444-L446 HydrophobicContact CB-CD2 4.34Å; I444-L446 HydrophobicContact CG2-CD2 3.62Å; I444-L446 HydrophobicContact CG2-CG 4.22Å; L446-V486 CarbonylContact C-O 3.55Å; L446-V486 VanDerWaalsContact CA-O 3.28Å; L446-V486 WeakPolarHBondContact CA-O 3.48Å; L446-T487 HydrophobicContact CD2-CG2 3.83Å
447K93.6Very high88.5Confident6 Ų660.6 Ų60.63%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-120.3153.7160.4-78-168.9170.51750110.3T431 L432 A434 G436 Y438 T485 V486T431-K447 PolarHBondContact O-NZ 3.38Å; L432-K447 PolarHBondContact O-NZ 3.11Å; A434-K447 PolarHBondContact O-NZ 3.12Å; G436-K447 WeakPolarHBondContact O-CE 3.49Å; G436-K447 PolarHBondContact O-NZ 3.2Å; Y438-K447 HydrophobicContact CD1-CD 4.24Å; Y438-K447 HydrophobicContact CD1-CG 3.58Å; Y438-K447 HydrophobicContact CE1-CD 3.99Å; Y438-K447 HydrophobicContact CE1-CG 3.73Å; Y438-K447 HydrophobicContact CG-CG 4.11Å; Y438-K447 VanDerWaalsContact CZ-CE 3.41Å; K447-T485 CarbonylContact O-C 3.57Å; K447-T485 WeakPolarHBondContact O-CA 3.28Å; K447-V486 HydrophobicContact CB-CG2 4.37Å; K447-V486 PolarHBondContact N-O 2.7Å; K447-V486 PolarHBondContact O-N 2.84Å
448K91.7Very high88Confident140 Ų14053.5 Ų53.561%0.60927%0.269SS*.EExtended strand (participates in β ladder)trans-69.7140.5171.2-64.8-174.3-178.6177.20109.4T98 F439T98-K448 WeakPolarHBondContact CG2-O 3.42Å; F439-K448 HydrophobicContact CE1-CG 3.78Å; F439-K448 HydrophobicContact CZ-CG 4.45Å
449Y90.3Very high87.2Confident11 Ų1159.9 Ų59.94%0.04329%0.292CS..EExtended strand (participates in β ladder)trans-139.2117.6175.7177.5-123.3000108.9M96 T98 V99 S367 I368 S426 A429 G484 V486M96-Y449 HydrophobicContact CE-CE2 3.58Å; M96-Y449 WeakPolarHBondContact CE-OH 3.49Å; M96-Y449 HydrophobicContact SD-CE2 4.43Å; T98-Y449 WeakPolarHBondContact OG1-CD2 3.1Å; V99-Y449 HydrophobicContact CG2-CD2 4.33Å; V99-Y449 HydrophobicContact CG2-CE2 3.91Å; S367-Y449 WeakPolarHBondContact OG-CE1 3.42Å; S367-Y449 PolarHBondContact OG-OH 3.4Å; I368-Y449 HydrophobicContact CB-CE1 4.2Å; I368-Y449 HydrophobicContact CD1-CE1 4.16Å; I368-Y449 HydrophobicContact CD1-CE2 4.34Å; I368-Y449 HydrophobicContact CG1-CE1 3.77Å; I368-Y449 HydrophobicContact CG2-CD1 3.54Å; I368-Y449 HydrophobicContact CG2-CE1 3.39Å; S426-Y449 PolarHBondContact N-OH 2.87Å; S426-Y449 VanDerWaalsContact N-OH 3.13Å; A429-Y449 HydrophobicContact CB-CD2 3.42Å; A429-Y449 VanDerWaalsContact CB-CD2 3.42Å; A429-Y449 HydrophobicContact CB-CE2 3.78Å; A429-Y449 HydrophobicContact CB-CG 3.91Å; Y449-G484 PolarHBondContact N-O 3.22Å; Y449-G484 CarbonylContact O-C 3.48Å; Y449-G484 PolarHBondContact O-N 2.96Å; Y449-G484 VanDerWaalsContact O-O 3.09Å; Y449-V486 HydrophobicContact CD1-CG1 3.82Å; Y449-V486 HydrophobicContact CG-CG1 3.99Å
450R88.4Confident86.3Confident47 Ų4762.9 Ų62.918%0.17731%0.307CS..EExtended strand (participates in β ladder)trans-135.1147.8-171.371.2-172.7-176.4166.33.3111.6D97 T98 V457 E460D97-R450 IonicContact OD1-NE 3.67Å; D97-R450 PolarHBondContact OD1-NE 3.28Å; D97-R450 IonicContact OD2-CZ 2.76Å; D97-R450 IonicContact OD2-NE 3.62Å; D97-R450 PolarHBondContact OD2-NE 3.26Å; D97-R450 VanDerWaalsContact OD2-NE 3.11Å; D97-R450 IonicContact OD2-NH2 3.49Å; D97-R450 PolarHBondContact OD2-NH2 3.2Å; T98-R450 HydrophobicContact CG2-CG 3.9Å; T98-R450 PolarHBondContact OG1-N 3.23Å; T98-R450 PolarHBondContact OG1-O 3.47Å; R450-V457 HydrophobicContact CG-CG2 3.88Å; R450-V457 VanDerWaalsContact NE-CG2 3.34Å; R450-E460 IonicContact CZ-OE2 3.05Å; R450-E460 IonicContact NH1-OE1 2.93Å; R450-E460 IonicContact NH1-OE2 3.74Å; R450-E460 PolarHBondContact NH1-OE2 2.92Å; R450-E460 IonicContact NH2-OE2 2.98Å; R450-E460 PolarHBondContact NH2-OE2 3.39Å
451G81.4Confident85Confident4 Ų454.8 Ų54.84%0.04128%0.279CS..  trans-84146.9174.400000112.9I368 G453 C454 V482I368-G451 VanDerWaalsContact CD1-N 3.29Å; G451-G453 PolarHBondContact O-N 3.41Å; G451-C454 WeakPolarHBondContact O-CB 3.47Å; G451-C454 PolarHBondContact O-N 3.48Å; G451-C454 PolarHBondContact O-SG 3.41Å; G451-V482 PolarHBondContact N-O 3.33Å
452M82.7Confident83.8Confident8 Ų856.7 Ų56.74%0.03929%0.287CS..THydrogen-bonded Turntrans-59.7-17175.5-55.4-45.4-5800113.1M96 N120 V457 A464M96-M452 HydrophobicContact CB-SD 4.21Å; M96-M452 HydrophobicContact CG-CG 4.21Å; M96-M452 HydrophobicContact CG-SD 4.28Å; N120-M452 HydrophobicContact CB-CE 3.34Å; M452-V457 HydrophobicContact CE-CG1 3.58Å; M452-A464 WeakPolarHBondContact O-CB 3.4Å
453G77.9Confident83Confident0 Ų050 Ų500%025%0.251CS..THydrogen-bonded Turntrans-100.810.9176.100000115.2G451 L458 Y468 A479 Q480 G481G451-G453 PolarHBondContact O-N 3.41Å; G453-L458 WeakPolarHBondContact O-CD1 3.21Å; G453-Y468 WeakPolarHBondContact CA-OH 3.45Å; G453-Y468 VanDerWaalsContact N-CE2 3.34Å; G453-Y468 PolarHBondContact N-OH 3.12Å; G453-Y468 VanDerWaalsContact N-OH 3.15Å; G453-A479 CarbonylContact O-C 3.59Å; G453-A479 WeakPolarHBondContact O-CA 3.4Å; G453-Q480 PolarHBondContact O-N 3.32Å; G453-G481 PolarHBondContact O-N 3.15Å; G453-G481 VanDerWaalsContact O-N 3.08Å
454C82.6Confident81.8Confident3 Ų347 Ų472%0.0222%0.22CC..SBendtrans-77.8157.6172.7800000110.9G451 D456 V457 L458 G481G451-C454 WeakPolarHBondContact O-CB 3.47Å; G451-C454 PolarHBondContact O-N 3.48Å; G451-C454 PolarHBondContact O-SG 3.41Å; C454-D456 VanDerWaalsContact C-N 3.26Å; C454-D456 PolarHBondContact O-N 3.17Å; C454-V457 PolarHBondContact O-N 3.07Å; C454-V457 VanDerWaalsContact SG-CG2 3.52Å; C454-L458 WeakPolarHBondContact O-CB 3.49Å; C454-L458 VanDerWaalsContact O-CG 3.29Å; C454-L458 WeakPolarHBondContact O-CG 3.19Å; C454-L458 PolarHBondContact O-N 2.81Å; C454-G481 VanDerWaalsContact CA-O 3.29Å; C454-G481 WeakPolarHBondContact CA-O 3.44Å; C454-G481 WeakPolarHBondContact CB-O 3.5Å
455L82.2Confident81Confident71 Ų7143.1 Ų43.137%0.37220%0.2SC..Hα-helixtrans-59.1-37.8-176.6-69.8174000112.8V457 L458 R459 A479L455-V457 PolarHBondContact O-N 3.32Å; L455-L458 PolarHBondContact O-N 3.11Å; L455-R459 WeakPolarHBondContact O-CB 3.27Å; L455-R459 WeakPolarHBondContact O-CG 3.26Å; L455-R459 PolarHBondContact O-N 2.82Å; L455-A479 HydrophobicContact CD2-CB 3.91Å; L455-A479 HydrophobicContact CG-CB 3.83Å
456D80Confident80.1Confident69 Ų6939.2 Ų39.237%0.36919%0.186SC..Hα-helixtrans-60.1-48.1-179.2-56.4-22.1000110.5C454 R459 E460C454-D456 VanDerWaalsContact C-N 3.26Å; C454-D456 PolarHBondContact O-N 3.17Å; D456-R459 PolarHBondContact O-N 3.43Å; D456-E460 VanDerWaalsContact O-CG 3.27Å; D456-E460 WeakPolarHBondContact O-CG 3.27Å; D456-E460 PolarHBondContact O-N 3.38Å; D456-E460 VanDerWaalsContact O-N 3.13Å
457V78.7Confident79.4Confident0 Ų039.7 Ų39.70%019%0.186CC..Hα-helixtrans-70-40.8179.4-178.90000111.2N120 R450 M452 C454 L455 R459 E460 G461 A464N120-V457 WeakPolarHBondContact ND2-CG1 3.38Å; R450-V457 HydrophobicContact CG-CG2 3.88Å; R450-V457 VanDerWaalsContact NE-CG2 3.34Å; M452-V457 HydrophobicContact CE-CG1 3.58Å; C454-V457 PolarHBondContact O-N 3.07Å; C454-V457 VanDerWaalsContact SG-CG2 3.52Å; L455-V457 PolarHBondContact O-N 3.32Å; V457-R459 PolarHBondContact O-N 3.47Å; V457-E460 PolarHBondContact O-N 3Å; V457-G461 PolarHBondContact O-N 3.31Å; V457-A464 HydrophobicContact CB-CB 4.45Å; V457-A464 HydrophobicContact CG1-CB 3.37Å
458L79.5Confident78.6Confident0 Ų040.2 Ų40.20%019%0.189CC..Hα-helixtrans-66.1-24.8178-70.4173.5000113.4G453 C454 L455 A464 Q465 Y468 K477G453-L458 WeakPolarHBondContact O-CD1 3.21Å; C454-L458 WeakPolarHBondContact O-CB 3.49Å; C454-L458 VanDerWaalsContact O-CG 3.29Å; C454-L458 WeakPolarHBondContact O-CG 3.19Å; C454-L458 PolarHBondContact O-N 2.81Å; L455-L458 PolarHBondContact O-N 3.11Å; L458-A464 HydrophobicContact CD2-CB 4.27Å; L458-Q465 HydrophobicContact CD2-CG 4.19Å; L458-Q465 PolarHBondContact O-NE2 3.07Å; L458-Y468 HydrophobicContact CD2-CD2 4.07Å; L458-K477 HydrophobicContact CB-CD 4.37Å; L458-K477 PolarHBondContact O-NZ 2.9Å
459R76.4Confident77.8Confident180 Ų18037 Ų3768%0.67918%0.175SC*.Hα-helixtrans-81.3-36.5174.4-74.8171.2-179.8-178.40.7111.9L455 D456 V457L455-R459 WeakPolarHBondContact O-CB 3.27Å; L455-R459 WeakPolarHBondContact O-CG 3.26Å; L455-R459 PolarHBondContact O-N 2.82Å; D456-R459 PolarHBondContact O-N 3.43Å; V457-R459 PolarHBondContact O-N 3.47Å
460E74.2Confident77.1Confident130 Ų13037.4 Ų37.461%0.60718%0.177SC*.Hα-helixtrans-81.8-34.4-177.3-71.3168.2-175.200113.5R450 D456 V457R450-E460 IonicContact CZ-OE2 3.05Å; R450-E460 IonicContact NH1-OE1 2.93Å; R450-E460 IonicContact NH1-OE2 3.74Å; R450-E460 PolarHBondContact NH1-OE2 2.92Å; R450-E460 IonicContact NH2-OE2 2.98Å; R450-E460 PolarHBondContact NH2-OE2 3.39Å; D456-E460 VanDerWaalsContact O-CG 3.27Å; D456-E460 WeakPolarHBondContact O-CG 3.27Å; D456-E460 PolarHBondContact O-N 3.38Å; D456-E460 VanDerWaalsContact O-N 3.13Å; V457-E460 PolarHBondContact O-N 3Å
461G68Low76.2Confident8 Ų841.9 Ų41.98%0.08220%0.198CC..  trans-127126.9-164.300000115.3V457 A464 Q465V457-G461 PolarHBondContact O-N 3.31Å; G461-A464 PolarHBondContact O-N 3.33Å; G461-Q465 WeakPolarHBondContact O-CG 3.37Å
462V66.5Low75.4Confident76 Ų7646.7 Ų46.746%0.46122%0.222SC..Hα-helixtrans-62.3-42172.4-176.10000111.2A464 Q465 D466V462-A464 VanDerWaalsContact C-N 3.31Å; V462-A464 PolarHBondContact O-N 3.26Å; V462-Q465 VanDerWaalsContact O-CB 3.3Å; V462-Q465 WeakPolarHBondContact O-CB 3.24Å; V462-Q465 PolarHBondContact O-N 3.19Å; V462-D466 PolarHBondContact O-N 2.97Å; V462-D466 VanDerWaalsContact O-N 3.17Å
463N74.9Confident74.4Confident28 Ų2850.7 Ų50.715%0.1526%0.256CS..Hα-helixtrans-68.7-28.7-177.3-60.4-48.3000113.4C119 R298 Q465 D466 R467C119-N463 PolarHBondContact O-ND2 2.98Å; R298-N463 PolarHBondContact NH2-ND2 3.4Å; R298-N463 VanDerWaalsContact NH2-ND2 3.12Å; N463-Q465 VanDerWaalsContact C-N 3.32Å; N463-D466 PolarHBondContact O-N 3.21Å; N463-R467 PolarHBondContact O-N 2.76Å
464A67.3Low74Confident3 Ų353.5 Ų53.53%0.02527%0.272CS..Hα-helixtrans-65.4-39.6172.800000110.9M452 V457 L458 G461 V462 R467 Y468M452-A464 WeakPolarHBondContact O-CB 3.4Å; V457-A464 HydrophobicContact CB-CB 4.45Å; V457-A464 HydrophobicContact CG1-CB 3.37Å; L458-A464 HydrophobicContact CD2-CB 4.27Å; G461-A464 PolarHBondContact O-N 3.33Å; V462-A464 VanDerWaalsContact C-N 3.31Å; V462-A464 PolarHBondContact O-N 3.26Å; A464-R467 WeakPolarHBondContact O-CB 3.47Å; A464-R467 PolarHBondContact O-N 3.05Å; A464-Y468 VanDerWaalsContact O-CD2 3.28Å; A464-Y468 WeakPolarHBondContact O-CD2 3.37Å
465Q75.9Confident73.3Confident6 Ų665.3 Ų65.33%0.02832%0.316CS..Hα-helixtrans-63.4-41.8176.7-60.7178.255.900111.6L458 G461 V462 N463 R467 Y468 F469 H470 D472 K477L458-Q465 HydrophobicContact CD2-CG 4.19Å; L458-Q465 PolarHBondContact O-NE2 3.07Å; G461-Q465 WeakPolarHBondContact O-CG 3.37Å; V462-Q465 VanDerWaalsContact O-CB 3.3Å; V462-Q465 WeakPolarHBondContact O-CB 3.24Å; V462-Q465 PolarHBondContact O-N 3.19Å; N463-Q465 VanDerWaalsContact C-N 3.32Å; Q465-R467 VanDerWaalsContact C-N 3.3Å; Q465-R467 PolarHBondContact O-N 2.98Å; Q465-Y468 CarbonylContact O-C 3.44Å; Q465-Y468 PolarHBondContact O-N 3.25Å; Q465-Y468 VanDerWaalsContact O-N 3.08Å; Q465-F469 PolarHBondContact O-N 3.37Å; Q465-H470 HydrophobicContact CB-CB 3.85Å; Q465-H470 HydrophobicContact CG-CB 4.49Å; Q465-H470 PolarHBondContact O-N 2.82Å; Q465-D472 PolarHBondContact NE2-OD1 3.13Å; Q465-D472 PolarHBondContact OE1-OD1 3.45Å; Q465-K477 VanDerWaalsContact OE1-CE 3.29Å
466D76.8Confident73.2Confident15 Ų1567.1 Ų67.18%0.0833%0.33CS..Hα-helixtrans-57.6-40.1178.2-74.1-27.3000113.6S290 R292 V462 N463 Y468 F469S290-D466 PolarHBondContact OG-OD2 3.42Å; S290-D466 VanDerWaalsContact OG-OD2 3.13Å; R292-D466 HydrophobicContact CG-CB 3.98Å; R292-D466 WeakPolarHBondContact CG-OD1 3.05Å; R292-D466 WeakPolarHBondContact CG-OD2 3.4Å; R292-D466 IonicContact CZ-OD1 3.11Å; R292-D466 IonicContact NE-OD1 3.32Å; R292-D466 PolarHBondContact NE-OD1 3.37Å; R292-D466 IonicContact NH2-OD1 3.37Å; V462-D466 PolarHBondContact O-N 2.97Å; V462-D466 VanDerWaalsContact O-N 3.17Å; N463-D466 PolarHBondContact O-N 3.21Å; D466-Y468 PolarHBondContact O-N 3.11Å; D466-Y468 VanDerWaalsContact O-N 3.15Å; D466-F469 PolarHBondContact O-N 3.47Å
467R77.9Confident73.2Confident28 Ų2866.6 Ų66.611%0.10632%0.324CS..Hα-helixtrans-56.1-31.3178.4-175-177.4176.9153.3-6.7112.4D313 S315 N463 A464 Q465D313-R467 IonicContact OD1-CZ 3.96Å; D313-R467 IonicContact OD1-NE 2.74Å; D313-R467 IonicContact OD1-NH1 2.77Å; D313-R467 PolarHBondContact OD1-NH1 3.47Å; D313-R467 IonicContact OD1-NH2 3.22Å; D313-R467 VanDerWaalsContact OD2-CD 3.31Å; D313-R467 WeakPolarHBondContact OD2-CD 3.2Å; D313-R467 IonicContact OD2-CZ 2.69Å; D313-R467 IonicContact OD2-NE 3.08Å; D313-R467 IonicContact OD2-NH1 2.61Å; D313-R467 PolarHBondContact OD2-NH1 3Å; S315-R467 PolarHBondContact N-O 3.4Å; S315-R467 PolarHBondContact OG-O 2.73Å; N463-R467 PolarHBondContact O-N 2.76Å; A464-R467 WeakPolarHBondContact O-CB 3.47Å; A464-R467 PolarHBondContact O-N 3.05Å; Q465-R467 VanDerWaalsContact C-N 3.3Å; Q465-R467 PolarHBondContact O-N 2.98Å
468Y76.8Confident73.4Confident18 Ų1870.2 Ų70.27%0.07134%0.343CS..THydrogen-bonded Turntrans-109.116.1-178.4-59.7-78000113.2G453 L458 A464 Q465 D466 H470 Q480G453-Y468 WeakPolarHBondContact CA-OH 3.45Å; G453-Y468 VanDerWaalsContact N-CE2 3.34Å; G453-Y468 PolarHBondContact N-OH 3.12Å; G453-Y468 VanDerWaalsContact N-OH 3.15Å; L458-Y468 HydrophobicContact CD2-CD2 4.07Å; A464-Y468 VanDerWaalsContact O-CD2 3.28Å; A464-Y468 WeakPolarHBondContact O-CD2 3.37Å; Q465-Y468 CarbonylContact O-C 3.44Å; Q465-Y468 PolarHBondContact O-N 3.25Å; Q465-Y468 VanDerWaalsContact O-N 3.08Å; D466-Y468 PolarHBondContact O-N 3.11Å; D466-Y468 VanDerWaalsContact O-N 3.15Å; Y468-H470 PolarHBondContact O-N 3.09Å; Y468-Q480 HydrophobicContact CD1-CB 3.87Å; Y468-Q480 HydrophobicContact CD1-CG 3.97Å; Y468-Q480 HydrophobicContact CE1-CB 3.56Å; Y468-Q480 HydrophobicContact CE1-CG 4.17Å
469F75.8Confident73.7Confident72 Ų7271.4 Ų71.432%0.31635%0.352SS..THydrogen-bonded Turntrans60.420.7178.8-54.4-78000115.5Q316 Y321 Q465 D466Q316-F469 HydrophobicContact CB-CE2 4.45Å; Y321-F469 HydrophobicContact CD2-CE1 4.22Å; Q465-F469 PolarHBondContact O-N 3.37Å; D466-F469 PolarHBondContact O-N 3.47Å
470H74.5Confident74.1Confident20 Ų2063.5 Ų63.59%0.09332%0.323CS..  trans-75.2154170.5-77.9-58.3000111.3R292 Q465 Y468 D474 I478R292-H470 PolarHBondContact NH2-O 3.12Å; Q465-H470 HydrophobicContact CB-CB 3.85Å; Q465-H470 HydrophobicContact CG-CB 4.49Å; Q465-H470 PolarHBondContact O-N 2.82Å; Y468-H470 PolarHBondContact O-N 3.09Å; H470-D474 VanDerWaalsContact CA-OD2 3.27Å; H470-D474 WeakPolarHBondContact CA-OD2 3.28Å; H470-D474 IonicContact CG-OD2 3.72Å; H470-D474 IonicContact ND1-OD2 3.03Å; H470-D474 PolarHBondContact ND1-OD2 2.9Å; H470-I478 PolarHBondContact NE2-N 3.32Å
471K70Confident74.6Confident141 Ų14157.5 Ų57.561%0.61330%0.296SS*.  trans-112.4153.6166.7-65.1-178.6178.9-178.80109.2A473 D474K471-A473 PolarHBondContact O-N 3.15Å; K471-A473 VanDerWaalsContact O-N 3.09Å; K471-D474 PolarHBondContact N-OD2 2.93Å; K471-D474 VanDerWaalsContact O-CB 3.25Å; K471-D474 WeakPolarHBondContact O-CB 3.3Å; K471-D474 PolarHBondContact O-N 3.5Å
472D65.1Low75.6Confident105 Ų10560.2 Ų60.256%0.56131%0.311SS*.THydrogen-bonded Turntrans-58.2-27.3177.1-74-37.1000113.2Q465 D474Q465-D472 PolarHBondContact NE2-OD1 3.13Å; Q465-D472 PolarHBondContact OE1-OD1 3.45Å; D472-D474 VanDerWaalsContact C-N 3.27Å; D472-D474 PolarHBondContact O-N 2.76Å
473A62.5Low76.6Confident91 Ų9159.5 Ų59.575%0.75231%0.309SS*.THydrogen-bonded Turntrans-76.1-8.1176.700000114.3K471 R475K471-A473 PolarHBondContact O-N 3.15Å; K471-A473 VanDerWaalsContact O-N 3.09Å; A473-R475 PolarHBondContact O-N 3.34Å; A473-R475 VanDerWaalsContact O-N 3.16Å
474D69.3Low77.3Confident60 Ų6059.6 Ų59.632%0.32132%0.317SS..  trans-68.5114.9-179.1-68.7-13.2000109.9H470 K471 D472 V476H470-D474 VanDerWaalsContact CA-OD2 3.27Å; H470-D474 WeakPolarHBondContact CA-OD2 3.28Å; H470-D474 IonicContact CG-OD2 3.72Å; H470-D474 IonicContact ND1-OD2 3.03Å; H470-D474 PolarHBondContact ND1-OD2 2.9Å; K471-D474 PolarHBondContact N-OD2 2.93Å; K471-D474 VanDerWaalsContact O-CB 3.25Å; K471-D474 WeakPolarHBondContact O-CB 3.3Å; K471-D474 PolarHBondContact O-N 3.5Å; D472-D474 VanDerWaalsContact C-N 3.27Å; D472-D474 PolarHBondContact O-N 2.76Å; D474-V476 PolarHBondContact O-N 2.75Å
475R67.1Low78.5Confident251 Ų25163.3 Ų63.395%0.94734%0.339SS*.SBendtrans-62-28178.4-68.6-175.6176.9-173.5-1113A473A473-R475 PolarHBondContact O-N 3.34Å; A473-R475 VanDerWaalsContact O-N 3.16Å
476V79.5Confident79.3Confident109 Ų10964 Ų6466%0.66134%0.344SS*.  trans-125.5115-176-177.20000108.7D474 I478D474-V476 PolarHBondContact O-N 2.75Å; V476-I478 HydrophobicContact CG1-CG1 4.49Å
477K80.8Confident80.1Confident58 Ų5866.7 Ų66.725%0.25236%0.361SS..  trans-97124.3173.8-65.1179.3175-177.20108.6L458 Q465L458-K477 HydrophobicContact CB-CD 4.37Å; L458-K477 PolarHBondContact O-NZ 2.9Å; Q465-K477 VanDerWaalsContact OE1-CE 3.29Å
478I82.7Confident80.9Confident76 Ų7667.8 Ų67.839%0.3937%0.369SS..  trans-97.3114-177.9-58175.2000108.4V374 M375 H470 V476 Q480V374-I478 HydrophobicContact CG1-CG2 3.67Å; M375-I478 HydrophobicContact CE-CG2 3.67Å; H470-I478 PolarHBondContact NE2-N 3.32Å; V476-I478 HydrophobicContact CG1-CG1 4.49Å; I478-Q480 PolarHBondContact O-N 3.35Å
479A86.8Confident81.7Confident24 Ų2470.1 Ų70.120%0.19838%0.379CS..  trans-67.3132.1178.100000111G453 L455G453-A479 CarbonylContact O-C 3.59Å; G453-A479 WeakPolarHBondContact O-CA 3.4Å; L455-A479 HydrophobicContact CD2-CB 3.91Å; L455-A479 HydrophobicContact CG-CB 3.83Å
480Q84.4Confident82.6Confident14 Ų1468.3 Ų68.37%0.06538%0.381CS..  trans-118.98.7174.6-65.2-167.831.200112.3I370 T371 M375 G453 Y468 I478I370-Q480 VanDerWaalsContact CG1-C 3.4Å; I370-Q480 PolarHBondContact N-O 3.27Å; T371-Q480 PolarHBondContact N-O 2.86Å; T371-Q480 PolarHBondContact OG1-OE1 2.84Å; T371-Q480 VanDerWaalsContact OG1-OE1 3.05Å; M375-Q480 HydrophobicContact CG-CG 4.2Å; M375-Q480 PolarHBondContact SD-NE2 2.91Å; G453-Q480 PolarHBondContact O-N 3.32Å; Y468-Q480 HydrophobicContact CD1-CB 3.87Å; Y468-Q480 HydrophobicContact CD1-CG 3.97Å; Y468-Q480 HydrophobicContact CE1-CB 3.56Å; Y468-Q480 HydrophobicContact CE1-CG 4.17Å; I478-Q480 PolarHBondContact O-N 3.35Å
481G85.1Confident83.6Confident4 Ų468.8 Ų68.84%0.04139%0.387CS..BIsolated β-bridgetrans-148.117117300000111.9I368 G453 C454I368-G481 CarbonylContact O-C 3.54Å; I368-G481 WeakPolarHBondContact O-CA 3.11Å; G453-G481 PolarHBondContact O-N 3.15Å; G453-G481 VanDerWaalsContact O-N 3.08Å; C454-G481 VanDerWaalsContact CA-O 3.29Å; C454-G481 WeakPolarHBondContact CA-O 3.44Å; C454-G481 WeakPolarHBondContact CB-O 3.5Å
482V88.4Confident84.9Confident65 Ų6562 Ų6239%0.39436%0.357SS..  trans-119.8165.5178.6-62.80000111.3I368 I370 G451I368-V482 HydrophobicContact CB-CG2 4.29Å; I368-V482 HydrophobicContact CG2-CG2 4.34Å; I368-V482 PolarHBondContact O-N 3.31Å; I370-V482 HydrophobicContact CD1-CG1 4.12Å; I370-V482 HydrophobicContact CG2-CG1 4.07Å; G451-V482 PolarHBondContact N-O 3.33Å
483S87.6Confident86.3Confident61 Ų6159.8 Ų59.843%0.42734%0.343SS..EExtended strand (participates in β ladder)trans-105.1138.4168.8-167.40000108.4
484G90.3Very high87.8Confident30 Ų3060.8 Ų60.831%0.30934%0.34SS..EExtended strand (participates in β ladder)trans-153.9-165.3-179.200000111.6Y449Y449-G484 PolarHBondContact N-O 3.22Å; Y449-G484 CarbonylContact O-C 3.48Å; Y449-G484 PolarHBondContact O-N 2.96Å; Y449-G484 VanDerWaalsContact O-O 3.09Å
485T91.7Very high89Confident82 Ų8259.8 Ų59.850%0.50333%0.333SS..EExtended strand (participates in β ladder)trans-131.4153.3-178.2630000110.1F439 K447F439-T485 HydrophobicContact CE2-CG2 4.47Å; F439-T485 HydrophobicContact CZ-CG2 3.65Å; K447-T485 CarbonylContact O-C 3.57Å; K447-T485 WeakPolarHBondContact O-CA 3.28Å
486V92.5Very high90.4Very high19 Ų1947.8 Ų47.812%0.11529%0.287CS..EExtended strand (participates in β ladder)trans-132.9145.9175.3-69.10000109.5A429 L446 K447 Y449A429-V486 HydrophobicContact CB-CG1 4.43Å; A429-V486 HydrophobicContact CB-CG2 3.82Å; L446-V486 CarbonylContact C-O 3.55Å; L446-V486 VanDerWaalsContact CA-O 3.28Å; L446-V486 WeakPolarHBondContact CA-O 3.48Å; K447-V486 HydrophobicContact CB-CG2 4.37Å; K447-V486 PolarHBondContact N-O 2.7Å; K447-V486 PolarHBondContact O-N 2.84Å; Y449-V486 HydrophobicContact CD1-CG1 3.82Å; Y449-V486 HydrophobicContact CG-CG1 3.99Å
487T94.4Very high91.1Very high73 Ų7345.4 Ų45.445%0.44827%0.274SS..EExtended strand (participates in β ladder)trans-66.6150.1175.152.70000111.9I444 L446 K489I444-T487 HydrophobicContact CG2-CG2 3.85Å; L446-T487 HydrophobicContact CD2-CG2 3.83Å; T487-K489 PolarHBondContact O-NZ 2.83Å
488D94.4Very high91.8Very high51 Ų5149.3 Ų49.327%0.27329%0.288SS..  trans-56.7133.9169.2-171.24.5000110.4G430 Y438 R445 G490G430-D488 WeakPolarHBondContact O-CA 3.49Å; G430-D488 VanDerWaalsContact O-OD1 3.13Å; Y438-D488 HydrophobicContact CD1-CB 4.3Å; Y438-D488 HydrophobicContact CE1-CB 3.63Å; Y438-D488 WeakPolarHBondContact CE1-OD1 3.29Å; Y438-D488 PolarHBondContact OH-OD1 2.93Å; R445-D488 HydrophobicContact CB-CB 4.28Å; R445-D488 WeakPolarHBondContact CD-OD2 3.43Å; R445-D488 HydrophobicContact CG-CB 4.37Å; R445-D488 IonicContact CZ-OD2 3.76Å; R445-D488 IonicContact NE-OD2 2.84Å; R445-D488 IonicContact NH1-OD2 3.8Å; R445-D488 PolarHBondContact NH1-OD2 2.88Å; R445-D488 PolarHBondContact O-N 3.36Å; D488-G490 PolarHBondContact OD1-N 2.96Å
489K93.9Very high92.5Very high66 Ų6645.8 Ų45.829%0.28727%0.27SS..  trans-118.26179.6-60.9-177.4-174.966.70112.9S426 L427 A429 G430 T431 T487S426-K489 WeakPolarHBondContact O-CE 3.3Å; S426-K489 PolarHBondContact O-NZ 3.45Å; L427-K489 VanDerWaalsContact O-CD 3.24Å; L427-K489 WeakPolarHBondContact O-CD 3.14Å; A429-K489 PolarHBondContact O-NZ 2.79Å; G430-K489 PolarHBondContact O-N 3.43Å; G430-K489 VanDerWaalsContact O-N 3.13Å; T431-K489 HydrophobicContact CG2-CB 4.05Å; T487-K489 PolarHBondContact O-NZ 2.83Å
490G94.3Very high92.9Very high34 Ų3445.5 Ų45.535%0.35127%0.265SS..BIsolated β-bridgetrans72.9-155.1-174.600000112.8T431 L432 D488T431-G490 CarbonylContact C-O 3.53Å; T431-G490 WeakPolarHBondContact CA-O 3.41Å; T431-G490 VanDerWaalsContact CB-O 3.28Å; T431-G490 WeakPolarHBondContact CB-O 3.22Å; L432-G490 PolarHBondContact N-O 3.04Å; D488-G490 PolarHBondContact OD1-N 2.96Å
491S96Very high93.5Very high30 Ų3047 Ų4721%0.2128%0.28CS..  trans-87.6140.1-175.6172.50000112.7E433 H493 V494 F495E433-S491 WeakPolarHBondContact OE1-CB 3.49Å; E433-S491 PolarHBondContact OE1-OG 3Å; E433-S491 WeakPolarHBondContact OE2-CA 3.5Å; S491-H493 PolarHBondContact O-N 3.09Å; S491-H493 VanDerWaalsContact O-N 3.16Å; S491-H493 WeakPolarHBondContact OG-CB 3.33Å; S491-H493 PolarHBondContact OG-CD2 2.85Å; S491-H493 PolarHBondContact OG-N 2.9Å; S491-H493 VanDerWaalsContact OG-N 3.09Å; S491-V494 PolarHBondContact O-N 2.97Å; S491-F495 PolarHBondContact O-N 3.21Å; S491-F495 VanDerWaalsContact O-N 3.09Å
492V95.9Very high94Very high0 Ų047.9 Ų47.90%029%0.289CS..Hα-helixtrans-52.6-31.7168.8172.30000111.7M104 A107 M108 T431 E433 V494 F495 V496M104-V492 HydrophobicContact CE-CG2 3.73Å; M104-V492 HydrophobicContact SD-CG2 3.79Å; A107-V492 HydrophobicContact CB-CB 4.06Å; A107-V492 HydrophobicContact CB-CG1 3.82Å; M108-V492 HydrophobicContact SD-CG1 3.99Å; T431-V492 HydrophobicContact CG2-CG2 3.92Å; E433-V492 HydrophobicContact CB-CG2 4.23Å; E433-V492 WeakPolarHBondContact OE2-CB 3.37Å; E433-V492 VanDerWaalsContact OE2-CG2 3.31Å; E433-V492 WeakPolarHBondContact OE2-CG2 3.12Å; E433-V492 PolarHBondContact OE2-N 3.18Å; V492-V494 PolarHBondContact O-N 3.07Å; V492-F495 PolarHBondContact O-N 2.9Å; V492-V496 HydrophobicContact CG1-CB 4.35Å; V492-V496 HydrophobicContact CG1-CG2 3.51Å; V492-V496 WeakPolarHBondContact O-CB 3.29Å; V492-V496 PolarHBondContact O-N 3.08Å
493H94.3Very high94.3Very high58 Ų5844.8 Ų44.827%0.26927%0.27SS..Hα-helixtrans-66.5-17.6179.6-66.2-57.7000114.5Y272 E433 S491 P497Y272-H493 AromaticContact CE1-ND1 3.53Å; Y272-H493 AromaticContact CZ-CE1 3.89Å; Y272-H493 AromaticContact CZ-ND1 3.61Å; Y272-H493 PolarHBondContact OH-CE1 2.82Å; Y272-H493 PolarHBondContact OH-ND1 3.17Å; Y272-H493 VanDerWaalsContact OH-ND1 3.14Å; E433-H493 IonicContact OE1-CD2 3.29Å; S491-H493 PolarHBondContact O-N 3.09Å; S491-H493 VanDerWaalsContact O-N 3.16Å; S491-H493 WeakPolarHBondContact OG-CB 3.33Å; S491-H493 PolarHBondContact OG-CD2 2.85Å; S491-H493 PolarHBondContact OG-N 2.9Å; S491-H493 VanDerWaalsContact OG-N 3.09Å; H493-P497 WeakPolarHBondContact O-CD 3.48Å; H493-P497 VanDerWaalsContact O-CG 3.28Å; H493-P497 WeakPolarHBondContact O-CG 3.42Å
494V95.1Very high94.7Very high111 Ų11144 Ų4467%0.67326%0.259SS*.Hα-helixtrans-101.7-41.4171-1790000110S491 V492 P497 Y498S491-V494 PolarHBondContact O-N 2.97Å; V492-V494 PolarHBondContact O-N 3.07Å; V494-P497 WeakPolarHBondContact O-CD 3.4Å; V494-Y498 PolarHBondContact O-N 3.36Å
495F95.1Very high95Very high39 Ų3946.9 Ų46.917%0.17126%0.264CS..Hα-helixtrans-70-43.6-173.5-171.3-124.6000113.7L427 L428 S491 V492 Y498 L499L427-F495 HydrophobicContact CB-CE1 4.42Å; L427-F495 HydrophobicContact CD2-CZ 4.24Å; L427-F495 VanDerWaalsContact O-CE1 3.29Å; L427-F495 WeakPolarHBondContact O-CE1 3.38Å; L428-F495 HydrophobicContact CD2-CD1 4.3Å; L428-F495 HydrophobicContact CD2-CE1 4.49Å; S491-F495 PolarHBondContact O-N 3.21Å; S491-F495 VanDerWaalsContact O-N 3.09Å; V492-F495 PolarHBondContact O-N 2.9Å; F495-Y498 HydrophobicContact CD2-CD1 4.17Å; F495-Y498 HydrophobicContact CE2-CD1 4.1Å; F495-Y498 HydrophobicContact CE2-CE1 4.44Å; F495-Y498 WeakPolarHBondContact O-CB 3.28Å; F495-Y498 PolarHBondContact O-N 2.99Å; F495-L499 HydrophobicContact CD1-CD1 4.24Å; F495-L499 HydrophobicContact CE1-CD1 3.96Å; F495-L499 HydrophobicContact CE1-CD2 4.43Å; F495-L499 HydrophobicContact CE1-CG 4.34Å; F495-L499 HydrophobicContact CE2-CD2 4.35Å; F495-L499 HydrophobicContact CZ-CD1 4.4Å; F495-L499 HydrophobicContact CZ-CD2 4.04Å; F495-L499 HydrophobicContact CZ-CG 4.37Å; F495-L499 WeakPolarHBondContact O-CG 3.5Å; F495-L499 PolarHBondContact O-N 3.05Å
496V95.6Very high95.2Very high0 Ų043.7 Ų43.70%025%0.247CC..Hα-helixtrans-66.7-42.7179.4173.70000112.2F91 M108 C111 V492 Y498 L499 I500F91-V496 HydrophobicContact CD2-CG1 4.01Å; M108-V496 HydrophobicContact SD-CG2 3.84Å; C111-V496 HydrophobicContact CB-CB 3.97Å; C111-V496 HydrophobicContact CB-CG1 3.56Å; V492-V496 HydrophobicContact CG1-CB 4.35Å; V492-V496 HydrophobicContact CG1-CG2 3.51Å; V492-V496 WeakPolarHBondContact O-CB 3.29Å; V492-V496 PolarHBondContact O-N 3.08Å; V496-Y498 PolarHBondContact O-N 2.86Å; V496-L499 WeakPolarHBondContact O-CA 3.33Å; V496-L499 WeakPolarHBondContact O-CB 3.28Å; V496-L499 PolarHBondContact O-N 3.41Å; V496-I500 HydrophobicContact CG1-CD1 4.15Å; V496-I500 HydrophobicContact CG1-CG1 4.34Å; V496-I500 WeakPolarHBondContact O-CG1 3.42Å; V496-I500 PolarHBondContact O-N 3.15Å
497P94.7Very high95.3Very high58 Ų5842.8 Ų42.838%0.37724%0.242SC..Hα-helixtrans-55.6-37.1170.3-30.938.7000114H493 V494 I500 A501H493-P497 WeakPolarHBondContact O-CD 3.48Å; H493-P497 VanDerWaalsContact O-CG 3.28Å; H493-P497 WeakPolarHBondContact O-CG 3.42Å; V494-P497 WeakPolarHBondContact O-CD 3.4Å; P497-I500 PolarHBondContact O-N 2.88Å; P497-A501 WeakPolarHBondContact O-CB 3.41Å; P497-A501 PolarHBondContact O-N 3.37Å
498Y95.7Very high95.3Very high140 Ų14040.8 Ų40.855%0.54923%0.227SC..Hα-helixtrans-63-44.2172.1166.8-104.1000112L408 V494 F495 V496 I500 A501 G502L408-Y498 HydrophobicContact CD1-CD1 4.36Å; L408-Y498 HydrophobicContact CD1-CE1 3.52Å; L408-Y498 HydrophobicContact CD2-CE1 4.38Å; V494-Y498 PolarHBondContact O-N 3.36Å; F495-Y498 HydrophobicContact CD2-CD1 4.17Å; F495-Y498 HydrophobicContact CE2-CD1 4.1Å; F495-Y498 HydrophobicContact CE2-CE1 4.44Å; F495-Y498 WeakPolarHBondContact O-CB 3.28Å; F495-Y498 PolarHBondContact O-N 2.99Å; V496-Y498 PolarHBondContact O-N 2.86Å; Y498-I500 PolarHBondContact O-N 3.08Å; Y498-A501 PolarHBondContact O-N 3.26Å; Y498-G502 PolarHBondContact O-N 3.32Å
499L95.8Very high95.3Very high2 Ų242.5 Ų42.51%0.0124%0.237CC..Hα-helixtrans-60.7-42.8173.9-62.1178.5000112.2F91 L408 M424 F495 V496 G502 V503F91-L499 HydrophobicContact CE1-CB 4.17Å; F91-L499 HydrophobicContact CE2-CB 3.85Å; F91-L499 HydrophobicContact CZ-CB 3.56Å; L408-L499 HydrophobicContact CD1-CD2 3.76Å; L408-L499 HydrophobicContact CD2-CD2 4.24Å; L408-L499 HydrophobicContact CG-CD2 3.69Å; M424-L499 HydrophobicContact CE-CD1 3.96Å; M424-L499 HydrophobicContact SD-CD1 3.87Å; F495-L499 HydrophobicContact CD1-CD1 4.24Å; F495-L499 HydrophobicContact CE1-CD1 3.96Å; F495-L499 HydrophobicContact CE1-CD2 4.43Å; F495-L499 HydrophobicContact CE1-CG 4.34Å; F495-L499 HydrophobicContact CE2-CD2 4.35Å; F495-L499 HydrophobicContact CZ-CD1 4.4Å; F495-L499 HydrophobicContact CZ-CD2 4.04Å; F495-L499 HydrophobicContact CZ-CG 4.37Å; F495-L499 WeakPolarHBondContact O-CG 3.5Å; F495-L499 PolarHBondContact O-N 3.05Å; V496-L499 WeakPolarHBondContact O-CA 3.33Å; V496-L499 WeakPolarHBondContact O-CB 3.28Å; V496-L499 PolarHBondContact O-N 3.41Å; L499-G502 PolarHBondContact O-N 3.19Å; L499-V503 VanDerWaalsContact O-CG2 3.31Å; L499-V503 WeakPolarHBondContact O-CG2 3.24Å; L499-V503 PolarHBondContact O-N 3.28Å
500I95.7Very high95.2Very high19 Ų1939.7 Ų39.710%0.09723%0.225CC..Hα-helixtrans-58.1-52.5175.8-70.2173.4000110L77 A89 F91 C111 L274 V496 P497 Y498 G502 V503 K504L77-I500 HydrophobicContact CD1-CB 4.44Å; L77-I500 HydrophobicContact CD1-CG2 3.96Å; A89-I500 HydrophobicContact CB-CD1 3.99Å; A89-I500 HydrophobicContact CB-CG1 3.98Å; F91-I500 HydrophobicContact CD2-CG1 4.19Å; F91-I500 HydrophobicContact CE2-CB 4.48Å; F91-I500 HydrophobicContact CE2-CG1 3.61Å; C111-I500 WeakPolarHBondContact O-CD1 3.44Å; L274-I500 HydrophobicContact CD1-CD1 4.13Å; V496-I500 HydrophobicContact CG1-CD1 4.15Å; V496-I500 HydrophobicContact CG1-CG1 4.34Å; V496-I500 WeakPolarHBondContact O-CG1 3.42Å; V496-I500 PolarHBondContact O-N 3.15Å; P497-I500 PolarHBondContact O-N 2.88Å; Y498-I500 PolarHBondContact O-N 3.08Å; I500-G502 PolarHBondContact O-N 3Å; I500-V503 PolarHBondContact O-N 2.97Å; I500-K504 WeakPolarHBondContact O-CG 3.45Å; I500-K504 PolarHBondContact O-N 3.39Å
501A96.6Very high95.1Very high45 Ų4538.5 Ų38.537%0.37221%0.213SC..Hα-helixtrans-59.6-46.9-178.800000111.5P497 Y498 V503 K504 H505P497-A501 WeakPolarHBondContact O-CB 3.41Å; P497-A501 PolarHBondContact O-N 3.37Å; Y498-A501 PolarHBondContact O-N 3.26Å; A501-V503 PolarHBondContact O-N 3.28Å; A501-K504 WeakPolarHBondContact O-CB 3.37Å; A501-K504 PolarHBondContact O-N 2.93Å; A501-H505 PolarHBondContact O-CD2 2.94Å; A501-H505 VanDerWaalsContact O-CD2 3.24Å; A501-H505 PolarHBondContact O-N 3.22Å
502G96Very high94.8Very high22 Ų2237.1 Ų37.123%0.22720%0.203CC..Hα-helixtrans-70.8-31.2-178.600000114.2L408 Y498 L499 I500 H505 G506L408-G502 VanDerWaalsContact CD2-CA 3.45Å; Y498-G502 PolarHBondContact O-N 3.32Å; L499-G502 PolarHBondContact O-N 3.19Å; I500-G502 PolarHBondContact O-N 3Å; G502-H505 PolarHBondContact O-N 3.41Å; G502-G506 PolarHBondContact O-N 3.38Å
503V95.8Very high94.6Very high0 Ų038.8 Ų38.80%021%0.212CC..Hα-helixtrans-67.6-38.5170.31740000110.7L77 F91 V411 L415 L499 I500 A501 G506 L507L77-V503 HydrophobicContact CD1-CB 4.22Å; L77-V503 HydrophobicContact CD1-CG1 4.16Å; L77-V503 HydrophobicContact CD2-CG1 3.86Å; F91-V503 HydrophobicContact CE1-CG2 4.4Å; F91-V503 HydrophobicContact CZ-CG2 3.95Å; V411-V503 HydrophobicContact CB-CG2 4.07Å; V411-V503 HydrophobicContact CG1-CG2 3.7Å; L415-V503 HydrophobicContact CD1-CG1 4.05Å; L499-V503 VanDerWaalsContact O-CG2 3.31Å; L499-V503 WeakPolarHBondContact O-CG2 3.24Å; L499-V503 PolarHBondContact O-N 3.28Å; I500-V503 PolarHBondContact O-N 2.97Å; A501-V503 PolarHBondContact O-N 3.28Å; V503-G506 PolarHBondContact O-N 3.13Å; V503-L507 HydrophobicContact CG1-CD1 4.39Å; V503-L507 HydrophobicContact CG1-CG 4.41Å; V503-L507 WeakPolarHBondContact O-CG 3.05Å; V503-L507 PolarHBondContact O-N 3.41Å
504K96Very high94.4Very high45 Ų4536.8 Ų36.820%0.19620%0.204CC..Hα-helixtrans-60.3-45.3173.9-72.1-175.4167.6-135.50112V72 D73 V75 L77 I500 A501 L507 Q508V72-K504 HydrophobicContact CG2-CB 3.63Å; D73-K504 PolarHBondContact O-NZ 2.89Å; V75-K504 HydrophobicContact CB-CB 4.2Å; V75-K504 HydrophobicContact CB-CD 4.49Å; V75-K504 HydrophobicContact CB-CG 4.07Å; V75-K504 HydrophobicContact CG1-CB 4.3Å; V75-K504 HydrophobicContact CG1-CG 4.11Å; V75-K504 WeakPolarHBondContact O-CE 3.03Å; V75-K504 PolarHBondContact O-NZ 3.34Å; L77-K504 HydrophobicContact CD1-CG 3.95Å; L77-K504 HydrophobicContact CD2-CG 4.1Å; L77-K504 HydrophobicContact CG-CG 3.92Å; I500-K504 WeakPolarHBondContact O-CG 3.45Å; I500-K504 PolarHBondContact O-N 3.39Å; A501-K504 WeakPolarHBondContact O-CB 3.37Å; A501-K504 PolarHBondContact O-N 2.93Å; K504-L507 PolarHBondContact O-N 3.41Å; K504-Q508 WeakPolarHBondContact O-CB 3.44Å; K504-Q508 PolarHBondContact O-N 3.46Å
505H96.6Very high94Very high90 Ų9031.5 Ų31.542%0.41717%0.172SC..Hα-helixtrans-60.1-46.5173.8-80.5-71.7000111.8A501 G502 L507 Q508 D509A501-H505 PolarHBondContact O-CD2 2.94Å; A501-H505 VanDerWaalsContact O-CD2 3.24Å; A501-H505 PolarHBondContact O-N 3.22Å; G502-H505 PolarHBondContact O-N 3.41Å; H505-L507 VanDerWaalsContact C-N 3.26Å; H505-L507 PolarHBondContact O-N 3.06Å; H505-Q508 WeakPolarHBondContact O-CB 3.48Å; H505-Q508 PolarHBondContact O-N 3.49Å; H505-Q508 VanDerWaalsContact O-N 3.08Å; H505-D509 PolarHBondContact O-N 2.97Å
506G95Very high92.7Very high15 Ų1530.1 Ų30.116%0.15517%0.168CC..Hα-helixtrans-62-30.7177.400000114G502 V503 V510G502-G506 PolarHBondContact O-N 3.38Å; V503-G506 PolarHBondContact O-N 3.13Å; G506-V510 WeakPolarHBondContact O-CG1 3.32Å
507L94.5Very high90.7Very high0 Ų032.1 Ų32.10%018%0.181CC..Hα-helixtrans-77.2-36.3172.4-70.1-176.8000112.4V75 L77 V503 K504 H505 V510 G511 A512 V515 C533V75-L507 HydrophobicContact CG1-CB 3.9Å; V75-L507 HydrophobicContact CG1-CD1 3.8Å; V75-L507 HydrophobicContact CG1-CG 4.5Å; L77-L507 HydrophobicContact CD2-CD1 3.53Å; V503-L507 HydrophobicContact CG1-CD1 4.39Å; V503-L507 HydrophobicContact CG1-CG 4.41Å; V503-L507 WeakPolarHBondContact O-CG 3.05Å; V503-L507 PolarHBondContact O-N 3.41Å; K504-L507 PolarHBondContact O-N 3.41Å; H505-L507 VanDerWaalsContact C-N 3.26Å; H505-L507 PolarHBondContact O-N 3.06Å; L507-V510 HydrophobicContact CD2-CG2 4.49Å; L507-V510 WeakPolarHBondContact O-CG2 3.13Å; L507-V510 PolarHBondContact O-N 3.45Å; L507-G511 PolarHBondContact O-N 3.23Å; L507-A512 CarbonylContact C-O 3.54Å; L507-A512 HydrophobicContact CB-CB 4.4Å; L507-A512 HydrophobicContact CD2-CB 4.28Å; L507-A512 PolarHBondContact O-N 3.35Å; L507-V515 HydrophobicContact CD1-CG2 3.76Å; L507-C533 HydrophobicContact CD2-CB 3.87Å
508Q94.7Very high88.5Confident31 Ų3131.2 Ų31.215%0.14517%0.173CC..Hα-helixtrans-60.6-47.9173.7-171.9-174.227.700111.1I68 F70 V75 K504 H505 V510 G511I68-Q508 HydrophobicContact CD1-CG 4.35Å; I68-Q508 WeakPolarHBondContact CD1-O 3.49Å; I68-Q508 WeakPolarHBondContact CG1-O 3.2Å; I68-Q508 HydrophobicContact CG2-CG 3.74Å; F70-Q508 HydrophobicContact CD2-CG 4.26Å; F70-Q508 HydrophobicContact CE2-CB 3.95Å; F70-Q508 HydrophobicContact CE2-CG 3.73Å; F70-Q508 HydrophobicContact CZ-CB 4.49Å; F70-Q508 HydrophobicContact CZ-CG 4.32Å; F70-Q508 PolarHBondContact O-NE2 2.95Å; V75-Q508 HydrophobicContact CG2-CB 4.49Å; K504-Q508 WeakPolarHBondContact O-CB 3.44Å; K504-Q508 PolarHBondContact O-N 3.46Å; H505-Q508 WeakPolarHBondContact O-CB 3.48Å; H505-Q508 PolarHBondContact O-N 3.49Å; H505-Q508 VanDerWaalsContact O-N 3.08Å; Q508-V510 PolarHBondContact O-N 2.96Å; Q508-G511 WeakPolarHBondContact O-CA 3.28Å; Q508-G511 PolarHBondContact O-N 3.06Å
509D94.5Very high85.9Confident87 Ų8732 Ų3247%0.46518%0.179SC..Hα-helixtrans-61.4-28.4-178.2-68.3-17.1000113.2P65 G66 H505P65-D509 WeakPolarHBondContact CA-O 3.4Å; G66-D509 PolarHBondContact N-O 2.87Å; H505-D509 PolarHBondContact O-N 2.97Å
510V92.2Very high83Confident8 Ų838.8 Ų38.85%0.04821%0.205CC..THydrogen-bonded Turntrans-90.80.3175.4-54.90000113I63 G506 L507 Q508 A512 L542I63-V510 HydrophobicContact CB-CG1 4.11Å; I63-V510 HydrophobicContact CG2-CB 4.4Å; I63-V510 HydrophobicContact CG2-CG1 3.68Å; G506-V510 WeakPolarHBondContact O-CG1 3.32Å; L507-V510 HydrophobicContact CD2-CG2 4.49Å; L507-V510 WeakPolarHBondContact O-CG2 3.13Å; L507-V510 PolarHBondContact O-N 3.45Å; Q508-V510 PolarHBondContact O-N 2.96Å; V510-A512 HydrophobicContact CG2-CB 3.91Å; V510-L542 HydrophobicContact CB-CD2 3.81Å; V510-L542 HydrophobicContact CG2-CD2 4.25Å; V510-L542 WeakPolarHBondContact O-CD2 3.44Å
511G90.6Very high80.1Confident9 Ų940.7 Ų40.79%0.09323%0.23CC..THydrogen-bonded Turntrans77.519.5-179.500000115Y67 L507 Q508Y67-G511 VanDerWaalsContact O-CA 3.26Å; Y67-G511 WeakPolarHBondContact O-CA 3.32Å; L507-G511 PolarHBondContact O-N 3.23Å; Q508-G511 WeakPolarHBondContact O-CA 3.28Å; Q508-G511 PolarHBondContact O-N 3.06Å
512A91.2Very high77Confident0 Ų047.2 Ų47.20%026%0.258CS..  trans-99.1124.8-179.700000112.7F70 L507 V510 C531 C533 M536F70-A512 WeakPolarHBondContact CZ-O 3.43Å; L507-A512 CarbonylContact C-O 3.54Å; L507-A512 HydrophobicContact CB-CB 4.4Å; L507-A512 HydrophobicContact CD2-CB 4.28Å; L507-A512 PolarHBondContact O-N 3.35Å; V510-A512 HydrophobicContact CG2-CB 3.91Å; A512-C531 CarbonylContact C-O 3.5Å; A512-C531 WeakPolarHBondContact CA-O 3.37Å; A512-C533 HydrophobicContact CB-CB 3.72Å; A512-M536 HydrophobicContact CB-SD 3.89Å
513L91.1Very high74.3Confident36 Ų3651.2 Ų51.219%0.18828%0.277CS..SBendtrans-81.7-15.8177.1-82169.6000113.5F70 Q74 V75 D76 C531F70-L513 HydrophobicContact CB-CD2 3.69Å; F70-L513 HydrophobicContact CD1-CD1 4.34Å; F70-L513 HydrophobicContact CD1-CD2 3.59Å; F70-L513 HydrophobicContact CD1-CG 3.7Å; F70-L513 HydrophobicContact CD2-CD2 3.46Å; F70-L513 VanDerWaalsContact CD2-CD2 3.46Å; F70-L513 HydrophobicContact CD2-CG 4.31Å; F70-L513 HydrophobicContact CE1-CD2 4.04Å; F70-L513 HydrophobicContact CE1-CG 3.83Å; F70-L513 HydrophobicContact CE2-CD2 3.9Å; F70-L513 HydrophobicContact CE2-CG 4.4Å; F70-L513 HydrophobicContact CG-CD2 3.29Å; F70-L513 HydrophobicContact CG-CG 3.97Å; F70-L513 HydrophobicContact CZ-CD2 4.18Å; F70-L513 HydrophobicContact CZ-CG 4.19Å; Q74-L513 HydrophobicContact CB-CD2 4.31Å; V75-L513 WeakPolarHBondContact CA-O 3.36Å; D76-L513 PolarHBondContact N-O 3.03Å; L513-C531 HydrophobicContact CB-CB 4.1Å; L513-C531 HydrophobicContact CD1-CB 3.93Å; L513-C531 HydrophobicContact CG-CB 4.28Å; L513-C531 PolarHBondContact N-O 3.18Å
514S90.7Very high71.1Confident15 Ų1556.7 Ų56.711%0.10532%0.316CS..EExtended strand (participates in β ladder)trans-156.5165.3176.669.90000112.9D76 D532 C533D76-S514 VanDerWaalsContact O-CA 3.23Å; D76-S514 WeakPolarHBondContact O-CA 3.36Å; D76-S514 WeakPolarHBondContact O-CB 3.27Å; S514-D532 VanDerWaalsContact OG-CB 3.28Å; S514-D532 WeakPolarHBondContact OG-CB 3.47Å; S514-C533 WeakPolarHBondContact O-CB 3.46Å; S514-C533 PolarHBondContact O-N 3.49Å
515V85.1Confident68.5Low1 Ų162.6 Ų62.61%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-70.3-56.5174.4174.90000111.3D76 L77 L415 L507 R534D76-V515 PolarHBondContact O-N 3.25Å; L77-V515 HydrophobicContact CD2-CG2 4.1Å; L415-V515 HydrophobicContact CB-CG1 4.21Å; L415-V515 HydrophobicContact CD1-CG1 4.3Å; L415-V515 HydrophobicContact CD1-CG2 3.9Å; L415-V515 HydrophobicContact CD2-CG1 3.92Å; L415-V515 HydrophobicContact CG-CG1 4.35Å; L507-V515 HydrophobicContact CD1-CG2 3.76Å; V515-R534 PolarHBondContact O-N 3.3Å
516S69.7Low66.1Low10 Ų1063 Ų637%0.0735%0.351CS..EExtended strand (participates in β ladder)trans151115172.846.10000107.8R534S516-R534 WeakPolarHBondContact OG-CB 3.27Å; S516-R534 PolarHBondContact OG-NE 3.29Å; S516-R534 VanDerWaalsContact OG-NE 3.13Å; S516-R534 PolarHBondContact OG-NH1 3.12Å; S516-R534 PolarHBondContact OG-NH2 3.4Å
517C52.6Low63.9Low41 Ų4168.5 Ų68.528%0.27737%0.368SS..  trans-103.6123.9171.2-164.30000108.4K519C517-K519 PolarHBondContact O-N 3Å
518L49.1Very low61.7Low39 Ų3972.1 Ų72.120%0.20439%0.39CS..  trans-71.144.1171.7-66.2171.1000111.1N80 R396 Y520N80-L518 PolarHBondContact OD1-N 2.79Å; R396-L518 HydrophobicContact CB-CD1 4.33Å; L518-Y520 VanDerWaalsContact C-N 3.28Å; L518-Y520 HydrophobicContact CB-CD2 4.26Å; L518-Y520 HydrophobicContact CB-CE2 3.86Å; L518-Y520 HydrophobicContact CD2-CE2 3.74Å; L518-Y520 WeakPolarHBondContact CD2-OH 3.34Å; L518-Y520 HydrophobicContact CG-CE2 4.34Å; L518-Y520 VanDerWaalsContact O-CD2 3.31Å; L518-Y520 WeakPolarHBondContact O-CD2 3.25Å; L518-Y520 PolarHBondContact O-N 2.99Å
519K40.5Very low59.7Low157 Ų15777.7 Ų77.768%0.68341%0.413SS*.  trans-77.783.9173.1-91.5179179.2-175.10109.2C517 G521C517-K519 PolarHBondContact O-N 3Å; K519-G521 PolarHBondContact O-N 2.84Å
520Y36Very low57.9Low144 Ų14479.5 Ų79.557%0.56542%0.423SS*.  trans-77.9103165.7-62.3-76.9000108.7R396 L518R396-Y520 HydrophobicContact CG-CE2 4.15Å; L518-Y520 VanDerWaalsContact C-N 3.28Å; L518-Y520 HydrophobicContact CB-CD2 4.26Å; L518-Y520 HydrophobicContact CB-CE2 3.86Å; L518-Y520 HydrophobicContact CD2-CE2 3.74Å; L518-Y520 WeakPolarHBondContact CD2-OH 3.34Å; L518-Y520 HydrophobicContact CG-CE2 4.34Å; L518-Y520 VanDerWaalsContact O-CD2 3.31Å; L518-Y520 WeakPolarHBondContact O-CD2 3.25Å; L518-Y520 PolarHBondContact O-N 2.99Å
521G33.2Very low56.5Low60 Ų6080 Ų8062%0.61943%0.426SS*.SBendtrans134.2110.5174.900000112.3K519K519-G521 PolarHBondContact O-N 2.84Å
522L33Very low56Low181 Ų18180 Ų8095%0.94842%0.424SS*.SBendtrans80.726.2164.8-56.9170.5000120.1
523V37.3Very low55.7Low106 Ų10680 Ų8064%0.64242%0.424SS*.  trans-13096.5155.6-166.40000110.5Y525V523-Y525 HydrophobicContact CG1-CD2 4.39Å; V523-Y525 PolarHBondContact O-N 3.32Å
524S30.2Very low55.4Low115 Ų11579 Ų7980%0.80442%0.418SS*.  trans-84.285.5162.31710000108.1
525Y41.8Very low55.1Low170 Ų17081.2 Ų81.267%0.66743%0.428SS*.  trans-133.8106.8154.3-93.1-87.9000106.6V523 Y527 V528V523-Y525 HydrophobicContact CG1-CD2 4.39Å; V523-Y525 PolarHBondContact O-N 3.32Å; Y525-Y527 PolarHBondContact O-N 2.8Å; Y525-V528 PolarHBondContact O-N 3.1Å; Y525-V528 VanDerWaalsContact O-N 3.1Å
526S45.5Very low55.2Low98 Ų9881.8 Ų81.869%0.68543%0.431SS*.THydrogen-bonded Turntrans-53.6-25.5176.6-63.90000112.4
527Y47.5Very low56Low131 Ų13181.4 Ų81.451%0.51443%0.429SS..THydrogen-bonded Turntrans-62.4-45.2176.4-155.5-104.6000113.1D69 Y525 K529 L530 C531D69-Y527 PolarHBondContact OD2-OH 3.24Å; Y525-Y527 PolarHBondContact O-N 2.8Å; Y527-K529 PolarHBondContact O-N 3.23Å; Y527-L530 PolarHBondContact O-N 3.43Å; Y527-L530 VanDerWaalsContact O-N 3.12Å; Y527-C531 PolarHBondContact O-N 2.78Å; Y527-C531 PolarHBondContact O-SG 3.24Å; Y527-C531 VanDerWaalsContact O-SG 3.36Å
528V49.8Very low57.6Low75 Ų7582.1 Ų82.146%0.45543%0.426SS..G310 helixtrans-69.1-33.8-173.7-179.60000112.2Y525 L530 C531 D532Y525-V528 PolarHBondContact O-N 3.1Å; Y525-V528 VanDerWaalsContact O-N 3.1Å; V528-L530 PolarHBondContact O-N 3.07Å; V528-C531 PolarHBondContact O-N 3.48Å; V528-D532 PolarHBondContact O-N 3.45Å
529K51.3Low59.4Low148 Ų14884.2 Ų84.264%0.64344%0.444SS*.G310 helixtrans-69.6-17.9176.5-76.6-173.8177.6178.30113.6Y527 D532 N535Y527-K529 PolarHBondContact O-N 3.23Å; K529-D532 VanDerWaalsContact O-OD2 3.09Å; K529-N535 PolarHBondContact O-ND2 2.94Å
530L56.6Low61.5Low126 Ų12677.5 Ų77.566%0.6642%0.42SS*.G310 helixtrans-91.8-14.1177.7-68.3169.4000112.3Y527 V528 M536Y527-L530 PolarHBondContact O-N 3.43Å; Y527-L530 VanDerWaalsContact O-N 3.12Å; V528-L530 PolarHBondContact O-N 3.07Å; L530-M536 WeakPolarHBondContact O-CG 3.46Å
531C63.2Low64Low19 Ų1975.2 Ų75.213%0.12842%0.42CS..SBendtrans-113.411.9-175.6-54.70000113.8A512 L513 Y527 V528A512-C531 CarbonylContact C-O 3.5Å; A512-C531 WeakPolarHBondContact CA-O 3.37Å; L513-C531 HydrophobicContact CB-CB 4.1Å; L513-C531 HydrophobicContact CD1-CB 3.93Å; L513-C531 HydrophobicContact CG-CB 4.28Å; L513-C531 PolarHBondContact N-O 3.18Å; Y527-C531 PolarHBondContact O-N 2.78Å; Y527-C531 PolarHBondContact O-SG 3.24Å; Y527-C531 VanDerWaalsContact O-SG 3.36Å; V528-C531 PolarHBondContact O-N 3.48Å
532D80.1Confident66.7Low9 Ų972.5 Ų72.55%0.04839%0.392CS..BIsolated β-bridgetrans-88134170.471.693.8000111.6S514 V528 K529 R534 N535 M536S514-D532 VanDerWaalsContact OG-CB 3.28Å; S514-D532 WeakPolarHBondContact OG-CB 3.47Å; V528-D532 PolarHBondContact O-N 3.45Å; K529-D532 VanDerWaalsContact O-OD2 3.09Å; D532-R534 PolarHBondContact O-N 3.04Å; D532-R534 VanDerWaalsContact O-N 3.14Å; D532-N535 VanDerWaalsContact CG-ND2 3.27Å; D532-N535 PolarHBondContact O-N 3.4Å; D532-N535 VanDerWaalsContact O-N 3.12Å; D532-N535 VanDerWaalsContact OD1-CB 3.22Å; D532-N535 WeakPolarHBondContact OD1-CB 3.35Å; D532-N535 PolarHBondContact OD1-N 2.77Å; D532-N535 PolarHBondContact OD1-ND2 3.03Å; D532-N535 VanDerWaalsContact OD1-ND2 3.15Å; D532-N535 WeakPolarHBondContact OD2-CB 3.29Å; D532-N535 PolarHBondContact OD2-ND2 3.24Å; D532-M536 VanDerWaalsContact O-CG 3.27Å; D532-M536 WeakPolarHBondContact O-CG 3.14Å; D532-M536 PolarHBondContact O-N 3.42Å
533C84.5Confident69.5Low0 Ų065.9 Ų65.90%035%0.354CS..Hα-helixtrans-52.4-42.7-171.6-177.70000112.4L507 A512 S514 A537 L542L507-C533 HydrophobicContact CD2-CB 3.87Å; A512-C533 HydrophobicContact CB-CB 3.72Å; S514-C533 WeakPolarHBondContact O-CB 3.46Å; S514-C533 PolarHBondContact O-N 3.49Å; C533-A537 WeakPolarHBondContact O-CB 3.44Å; C533-A537 PolarHBondContact O-N 3.2Å; C533-L542 WeakPolarHBondContact O-CD1 3.43Å
534R85.6Confident72.2Confident13 Ų1360.8 Ų60.85%0.04932%0.323CS..Hα-helixtrans-65.9-49.5179.6-175.9-179.8-65.1162.37.4112.5G418 A419 S420 V515 S516 D532 M536 A537 Y538G418-R534 PolarHBondContact O-NE 2.87Å; G418-R534 PolarHBondContact O-NH2 3.15Å; A419-R534 VanDerWaalsContact C-NH2 3.3Å; A419-R534 PolarHBondContact O-NH2 3.32Å; S420-R534 PolarHBondContact OG-NH2 3.05Å; V515-R534 PolarHBondContact O-N 3.3Å; S516-R534 WeakPolarHBondContact OG-CB 3.27Å; S516-R534 PolarHBondContact OG-NE 3.29Å; S516-R534 VanDerWaalsContact OG-NE 3.13Å; S516-R534 PolarHBondContact OG-NH1 3.12Å; S516-R534 PolarHBondContact OG-NH2 3.4Å; D532-R534 PolarHBondContact O-N 3.04Å; D532-R534 VanDerWaalsContact O-N 3.14Å; R534-M536 VanDerWaalsContact C-N 3.33Å; R534-A537 PolarHBondContact O-N 2.86Å; R534-Y538 HydrophobicContact CG-CD2 3.62Å; R534-Y538 HydrophobicContact CG-CE2 3.49Å; R534-Y538 VanDerWaalsContact CG-CE2 3.49Å; R534-Y538 VanDerWaalsContact O-CD2 3.25Å; R534-Y538 WeakPolarHBondContact O-CD2 3.29Å; R534-Y538 PolarHBondContact O-N 2.93Å
535N84.6Confident75.2Confident62 Ų6259.5 Ų59.533%0.33230%0.304SS..Hα-helixtrans-66.7-37.5179.5-71.8-23.5000111.2K529 D532 A537 Y538 S539K529-N535 PolarHBondContact O-ND2 2.94Å; D532-N535 VanDerWaalsContact CG-ND2 3.27Å; D532-N535 PolarHBondContact O-N 3.4Å; D532-N535 VanDerWaalsContact O-N 3.12Å; D532-N535 VanDerWaalsContact OD1-CB 3.22Å; D532-N535 WeakPolarHBondContact OD1-CB 3.35Å; D532-N535 PolarHBondContact OD1-N 2.77Å; D532-N535 PolarHBondContact OD1-ND2 3.03Å; D532-N535 VanDerWaalsContact OD1-ND2 3.15Å; D532-N535 WeakPolarHBondContact OD2-CB 3.29Å; D532-N535 PolarHBondContact OD2-ND2 3.24Å; N535-A537 VanDerWaalsContact C-N 3.29Å; N535-A537 PolarHBondContact O-N 2.86Å; N535-Y538 PolarHBondContact O-N 3.22Å; N535-S539 VanDerWaalsContact O-CB 3.27Å; N535-S539 WeakPolarHBondContact O-CB 3.25Å; N535-S539 PolarHBondContact O-N 3.16Å; N535-S539 PolarHBondContact O-OG 3.46Å
536M87.3Confident77.6Confident14 Ų1454.8 Ų54.87%0.06929%0.287CS..Hα-helixtrans-60.5-39.5172.9-62.816869.800111.4A512 L530 D532 R534 S539 G540 V541 L542A512-M536 HydrophobicContact CB-SD 3.89Å; L530-M536 WeakPolarHBondContact O-CG 3.46Å; D532-M536 VanDerWaalsContact O-CG 3.27Å; D532-M536 WeakPolarHBondContact O-CG 3.14Å; D532-M536 PolarHBondContact O-N 3.42Å; R534-M536 VanDerWaalsContact C-N 3.33Å; M536-S539 WeakPolarHBondContact CA-OG 3.42Å; M536-S539 PolarHBondContact O-OG 3.47Å; M536-G540 PolarHBondContact O-N 2.89Å; M536-V541 HydrophobicContact CB-CB 4.2Å; M536-V541 HydrophobicContact CB-CG1 4.38Å; M536-V541 HydrophobicContact CE-CG1 4.09Å; M536-V541 PolarHBondContact O-N 3.16Å; M536-L542 HydrophobicContact CB-CD1 4.1Å; M536-L542 HydrophobicContact CB-CG 3.69Å; M536-L542 HydrophobicContact CE-CD2 3.79Å; M536-L542 HydrophobicContact CE-CG 4.21Å; M536-L542 PolarHBondContact O-N 3.47Å
537A87.2Confident79.8Confident1 Ų152.3 Ų52.31%0.00826%0.263CS..Hα-helixtrans-68-43.9177.200000113.5L14 A416 C533 R534 N535 G540 L542 F544L14-A537 HydrophobicContact CD1-CB 3.56Å; L14-A537 HydrophobicContact CG-CB 4.16Å; A416-A537 VanDerWaalsContact O-CB 3.27Å; A416-A537 WeakPolarHBondContact O-CB 3.49Å; C533-A537 WeakPolarHBondContact O-CB 3.44Å; C533-A537 PolarHBondContact O-N 3.2Å; R534-A537 PolarHBondContact O-N 2.86Å; N535-A537 VanDerWaalsContact C-N 3.29Å; N535-A537 PolarHBondContact O-N 2.86Å; A537-G540 PolarHBondContact O-N 3.13Å; A537-L542 HydrophobicContact CB-CB 4.42Å; A537-L542 HydrophobicContact CB-CD1 4.14Å; A537-F544 HydrophobicContact CB-CZ 4.3Å
538Y85.9Confident81.9Confident56 Ų5649.7 Ų49.722%0.2226%0.264CS..Hα-helixtrans-77.3-23.8-180-74.4-63.6000114.2L14 Y386 K390 R534 N535 G540L14-Y538 HydrophobicContact CD1-CD1 4.32Å; L14-Y538 HydrophobicContact CD1-CE1 4.32Å; Y386-Y538 HydrophobicContact CD2-CE1 4.41Å; Y386-Y538 HydrophobicContact CE2-CD1 4.49Å; Y386-Y538 AromaticContact CE2-CE1 3.78Å; Y386-Y538 HydrophobicContact CE2-CE1 3.78Å; K390-Y538 HydrophobicContact CB-CE1 4Å; K390-Y538 HydrophobicContact CG-CE1 4.05Å; K390-Y538 PolarHBondContact N-OH 3.33Å; R534-Y538 HydrophobicContact CG-CD2 3.62Å; R534-Y538 HydrophobicContact CG-CE2 3.49Å; R534-Y538 VanDerWaalsContact CG-CE2 3.49Å; R534-Y538 VanDerWaalsContact O-CD2 3.25Å; R534-Y538 WeakPolarHBondContact O-CD2 3.29Å; R534-Y538 PolarHBondContact O-N 2.93Å; N535-Y538 PolarHBondContact O-N 3.22Å; Y538-G540 VanDerWaalsContact C-N 3.28Å
539S85.8Confident83.9Confident83 Ų8351.6 Ų51.658%0.5828%0.276SS*.Hα-helixtrans-80.4-9.8172.355.70000113.1N535 M536 V541N535-S539 VanDerWaalsContact O-CB 3.27Å; N535-S539 WeakPolarHBondContact O-CB 3.25Å; N535-S539 PolarHBondContact O-N 3.16Å; N535-S539 PolarHBondContact O-OG 3.46Å; M536-S539 WeakPolarHBondContact CA-OG 3.42Å; M536-S539 PolarHBondContact O-OG 3.47Å; S539-V541 VanDerWaalsContact C-N 3.33Å
540G85.8Confident85.9Confident17 Ų1746.5 Ų46.518%0.17527%0.266CS..THydrogen-bonded Turntrans82.86.2-178.600000114.6M536 A537 Y538 R543M536-G540 PolarHBondContact O-N 2.89Å; A537-G540 PolarHBondContact O-N 3.13Å; Y538-G540 VanDerWaalsContact C-N 3.28Å; G540-R543 WeakPolarHBondContact O-CD 3.39Å; G540-R543 PolarHBondContact O-NH1 3.16Å; G540-R543 VanDerWaalsContact O-NH1 3.17Å
541V88.4Confident87.7Confident95 Ų9542 Ų4258%0.57625%0.246SC*.  trans-66.6-45173.21730000110.9M536 S539 R543M536-V541 HydrophobicContact CB-CB 4.2Å; M536-V541 HydrophobicContact CB-CG1 4.38Å; M536-V541 HydrophobicContact CE-CG1 4.09Å; M536-V541 PolarHBondContact O-N 3.16Å; S539-V541 VanDerWaalsContact C-N 3.33Å; V541-R543 PolarHBondContact O-N 3.16Å
542L89.5Confident89.1Confident4 Ų443.6 Ų43.62%0.02125%0.252CS..SBendtrans-73.9128.9168.4-69.7179000109.6V510 C533 M536 A537 F544V510-L542 HydrophobicContact CB-CD2 3.81Å; V510-L542 HydrophobicContact CG2-CD2 4.25Å; V510-L542 WeakPolarHBondContact O-CD2 3.44Å; C533-L542 WeakPolarHBondContact O-CD1 3.43Å; M536-L542 HydrophobicContact CB-CD1 4.1Å; M536-L542 HydrophobicContact CB-CG 3.69Å; M536-L542 HydrophobicContact CE-CD2 3.79Å; M536-L542 HydrophobicContact CE-CG 4.21Å; M536-L542 PolarHBondContact O-N 3.47Å; A537-L542 HydrophobicContact CB-CB 4.42Å; A537-L542 HydrophobicContact CB-CD1 4.14Å; L542-F544 HydrophobicContact CB-CE2 4.08Å; L542-F544 HydrophobicContact CB-CZ 4.29Å; L542-F544 WeakPolarHBondContact O-CE2 3.46Å
543R92.2Very high89.8Confident41 Ų4152.9 Ų52.916%0.15529%0.286CS..  trans-107.4149.5178.1-50.2-57.5-66.8174.3-0110D10 G11 L12 E16 L64 G540 V541D10-R543 VanDerWaalsContact O-CB 3.27Å; D10-R543 WeakPolarHBondContact O-CB 3.23Å; D10-R543 VanDerWaalsContact O-CG 3.27Å; D10-R543 WeakPolarHBondContact O-CG 3.44Å; D10-R543 PolarHBondContact O-NE 3.29Å; G11-R543 PolarHBondContact O-NH2 2.98Å; L12-R543 CarbonylContact O-C 3.58Å; E16-R543 IonicContact OE2-NH2 3.4Å; E16-R543 PolarHBondContact OE2-NH2 3.1Å; L64-R543 HydrophobicContact CB-CB 4.23Å; L64-R543 HydrophobicContact CD1-CB 3.87Å; L64-R543 HydrophobicContact CG-CB 4.33Å; L64-R543 PolarHBondContact N-O 3.2Å; G540-R543 WeakPolarHBondContact O-CD 3.39Å; G540-R543 PolarHBondContact O-NH1 3.16Å; G540-R543 VanDerWaalsContact O-NH1 3.17Å; V541-R543 PolarHBondContact O-N 3.16Å
544F93.6Very high90.3Very high0 Ų059.5 Ų59.50%032%0.317CS..EExtended strand (participates in β ladder)trans-131.2151.3-175.5-59-98.7000110.2L12 L14 L17 F61 I62 I63 A416 A537 L542L12-F544 WeakPolarHBondContact CB-O 3.49Å; L12-F544 PolarHBondContact N-O 3.44Å; L12-F544 WeakPolarHBondContact O-CD2 3.19Å; L12-F544 PolarHBondContact O-N 3.12Å; L14-F544 HydrophobicContact CD2-CD2 4.02Å; L14-F544 HydrophobicContact CD2-CE1 3.97Å; L14-F544 HydrophobicContact CD2-CE2 3.46Å; L14-F544 VanDerWaalsContact CD2-CE2 3.46Å; L14-F544 HydrophobicContact CD2-CZ 3.42Å; L14-F544 VanDerWaalsContact CD2-CZ 3.42Å; L14-F544 HydrophobicContact CG-CD2 4.35Å; L14-F544 HydrophobicContact CG-CE2 3.62Å; L14-F544 HydrophobicContact CG-CZ 3.93Å; L17-F544 HydrophobicContact CD1-CB 4.45Å; L17-F544 HydrophobicContact CD2-CB 3.81Å; L17-F544 HydrophobicContact CD2-CD1 4.15Å; L17-F544 HydrophobicContact CD2-CG 3.97Å; F61-F544 AromaticContact CD2-CD1 3.91Å; F61-F544 HydrophobicContact CD2-CD1 3.91Å; F61-F544 HydrophobicContact CE2-CD1 4.12Å; F61-F544 HydrophobicContact CE2-CE1 4.36Å; I62-F544 CarbonylContact O-C 3.55Å; I62-F544 VanDerWaalsContact O-CA 3.24Å; I62-F544 WeakPolarHBondContact O-CA 3.12Å; I63-F544 HydrophobicContact CB-CD1 4.37Å; I63-F544 HydrophobicContact CB-CE1 4.37Å; I63-F544 HydrophobicContact CD1-CE1 4.28Å; I63-F544 HydrophobicContact CG1-CD1 3.97Å; I63-F544 HydrophobicContact CG1-CE1 3.76Å; I63-F544 HydrophobicContact CG2-CD1 4.35Å; I63-F544 HydrophobicContact CG2-CE1 4.12Å; A416-F544 HydrophobicContact CB-CE1 4.28Å; A416-F544 HydrophobicContact CB-CZ 4.34Å; A537-F544 HydrophobicContact CB-CZ 4.3Å; L542-F544 HydrophobicContact CB-CE2 4.08Å; L542-F544 HydrophobicContact CB-CZ 4.29Å; L542-F544 WeakPolarHBondContact O-CE2 3.46Å
545E93.3Very high90.6Very high87 Ų8761.8 Ų61.841%0.40735%0.345SS..EExtended strand (participates in β ladder)trans-126.9134.9177.5-168.160.3-131.600109.8F61 I62 L64F61-E545 CarbonylContact C-O 3.6Å; F61-E545 WeakPolarHBondContact CA-O 3.38Å; F61-E545 WeakPolarHBondContact CB-O 3.27Å; I62-E545 HydrophobicContact CG2-CB 3.82Å; I62-E545 PolarHBondContact N-O 3.1Å; I62-E545 PolarHBondContact O-N 3.5Å; L64-E545 HydrophobicContact CD2-CB 4.01Å; L64-E545 HydrophobicContact CG-CB 4.49Å
546K92Very high90.9Very high71 Ų7160.8 Ų60.831%0.30935%0.349SS..EExtended strand (participates in β ladder)trans-72.5137.2174.5-74178.8-178.1166.90109.1L12 L17 H54L12-K546 HydrophobicContact CD1-CD 4.3Å; L12-K546 HydrophobicContact CD1-CG 4.09Å; L17-K546 HydrophobicContact CD1-CG 3.63Å; H54-K546 PolarHBondContact CD2-NZ 3.23Å; H54-K546 PolarHBondContact NE2-NZ 2.89Å
547R92Very high91.2Very high47 Ų4766.3 Ų66.318%0.17738%0.384CS..  trans-103.1114.7178.8-61.6-179.478-168.66.4110.5D60 I62 A551 Q552 G555D60-R547 PolarHBondContact O-N 2.92Å; I62-R547 HydrophobicContact CB-CG 4.25Å; I62-R547 HydrophobicContact CG2-CG 4.29Å; R547-A551 HydrophobicContact CB-CB 4.25Å; R547-A551 PolarHBondContact NH2-O 2.75Å; R547-Q552 HydrophobicContact CB-CG 3.75Å; R547-Q552 PolarHBondContact NH2-O 2.83Å; R547-Q552 PolarHBondContact O-NE2 3.2Å; R547-G555 VanDerWaalsContact NH2-CA 3.34Å
548S91.6Very high91.5Very high76 Ų7671 Ų7153%0.53141%0.405SS..  trans-60.3162.5165.572.50000110.9G550 A551 Q552S548-G550 PolarHBondContact O-N 2.97Å; S548-G550 PolarHBondContact OG-N 3.49Å; S548-A551 PolarHBondContact O-N 3.13Å; S548-A551 VanDerWaalsContact O-N 3.1Å; S548-A551 PolarHBondContact OG-N 3.23Å; S548-A551 VanDerWaalsContact OG-N 3.12Å; S548-Q552 WeakPolarHBondContact O-CG 3.37Å; S548-Q552 PolarHBondContact O-N 3.16Å
549T90.8Very high91.8Very high114 Ų11473.9 Ų73.970%0.69943%0.433SS*.Hα-helixtrans-57.6-33.3174.551.80000112.3Q552 R553T549-Q552 PolarHBondContact O-N 3.43Å; T549-R553 WeakPolarHBondContact O-CG 3.28Å; T549-R553 PolarHBondContact O-N 3.2Å; T549-R553 VanDerWaalsContact O-N 3.16Å
550G94.3Very high92.1Very high42 Ų4275.8 Ų75.843%0.43344%0.437SS..Hα-helixtrans-63.1-51.2171.800000112.3S548 Q552 R553 E554S548-G550 PolarHBondContact O-N 2.97Å; S548-G550 PolarHBondContact OG-N 3.49Å; G550-Q552 PolarHBondContact O-N 2.98Å; G550-R553 PolarHBondContact O-N 3.46Å; G550-R553 VanDerWaalsContact O-N 3.13Å; G550-E554 PolarHBondContact O-N 3.02Å
551A94.2Very high92.5Very high30 Ų3084.3 Ų84.325%0.24847%0.471CS..Hα-helixtrans-63.2-30.1177.600000112.7R547 S548 G555R547-A551 HydrophobicContact CB-CB 4.25Å; R547-A551 PolarHBondContact NH2-O 2.75Å; S548-A551 PolarHBondContact O-N 3.13Å; S548-A551 VanDerWaalsContact O-N 3.1Å; S548-A551 PolarHBondContact OG-N 3.23Å; S548-A551 VanDerWaalsContact OG-N 3.12Å; A551-G555 PolarHBondContact O-N 3.3Å
552Q92.9Very high92.4Very high54 Ų5487.4 Ų87.425%0.25250%0.497SS..Hα-helixtrans-66.5-44173.2-70.1-176.834.400112.2S59 D60 R547 S548 T549 G550 G556S59-Q552 PolarHBondContact O-NE2 3.05Å; D60-Q552 PolarHBondContact OD1-NE2 3.23Å; D60-Q552 VanDerWaalsContact OD1-NE2 3.1Å; R547-Q552 HydrophobicContact CB-CG 3.75Å; R547-Q552 PolarHBondContact NH2-O 2.83Å; R547-Q552 PolarHBondContact O-NE2 3.2Å; S548-Q552 WeakPolarHBondContact O-CG 3.37Å; S548-Q552 PolarHBondContact O-N 3.16Å; T549-Q552 PolarHBondContact O-N 3.43Å; G550-Q552 PolarHBondContact O-N 2.98Å; Q552-G556 PolarHBondContact O-N 2.99Å
553R93.3Very high92.5Very high204 Ų20491.6 Ų91.677%0.7752%0.521SS*.Hα-helixtrans-64.9-42.8175.7-71.8179.5-178.4-169.10.7112T549 G550 G556T549-R553 WeakPolarHBondContact O-CG 3.28Å; T549-R553 PolarHBondContact O-N 3.2Å; T549-R553 VanDerWaalsContact O-N 3.16Å; G550-R553 PolarHBondContact O-N 3.46Å; G550-R553 VanDerWaalsContact O-N 3.13Å; R553-G556 PolarHBondContact O-N 3.13Å
554E94.9Very high92.5Very high138 Ų13894.3 Ų94.365%0.64554%0.54SS*.Hα-helixtrans-62.4-42.4177.2-178.5-175.4-117.200112.3G550 G556 H558G550-E554 PolarHBondContact O-N 3.02Å; E554-G556 PolarHBondContact O-N 2.79Å; E554-H558 PolarHBondContact O-CD2 2.87Å; E554-H558 PolarHBondContact O-NE2 2.87Å; E554-H558 VanDerWaalsContact O-NE2 3.15Å
555G92.4Very high92.5Very high61 Ų6199.5 Ų99.563%0.62957%0.57SS**THydrogen-bonded Turntrans-77.12.6178.500000114.9R547 A551R547-G555 VanDerWaalsContact NH2-CA 3.34Å; A551-G555 PolarHBondContact O-N 3.3Å
556G91.9Very high92.4Very high42 Ų42100.2 Ų100.243%0.43358%0.58SS.*SBendtrans-97.3-175.5171.200000111.8Q552 R553 E554 H558Q552-G556 PolarHBondContact O-N 2.99Å; R553-G556 PolarHBondContact O-N 3.13Å; E554-G556 PolarHBondContact O-N 2.79Å; G556-H558 PolarHBondContact O-CD2 3.21Å; G556-H558 VanDerWaalsContact O-CD2 3.32Å; G556-H558 PolarHBondContact O-N 2.82Å
557V92.6Very high92.5Very high130 Ų130102.1 Ų102.179%0.78860%0.597SS**SBendtrans-72.4122.8167.8179.10000108.4L560V557-L560 HydrophobicContact CG1-CD1 3.51Å; V557-L560 HydrophobicContact CG1-CG 4.31Å
558H93.6Very high92.5Very high99 Ų99105.7 Ų105.746%0.45863%0.625SS.*  trans-144.6163.7178.667.782.3000111.1E554 G556 L560E554-H558 PolarHBondContact O-CD2 2.87Å; E554-H558 PolarHBondContact O-NE2 2.87Å; E554-H558 VanDerWaalsContact O-NE2 3.15Å; G556-H558 PolarHBondContact O-CD2 3.21Å; G556-H558 VanDerWaalsContact O-CD2 3.32Å; G556-H558 PolarHBondContact O-N 2.82Å; H558-L560 PolarHBondContact O-N 3.39Å
559S93.6Very high92.5Very high116 Ų116107.9 Ų107.981%0.81163%0.632SS**SBendtrans61.734.4175.2-50.60000115.7
560L92.2Very high92.7Very high124 Ų124107.4 Ų107.465%0.64963%0.626SS**  trans-118.6158.1176.1-59.5-179.9000111.7V557 H558V557-L560 HydrophobicContact CG1-CD1 3.51Å; V557-L560 HydrophobicContact CG1-CG 4.31Å; H558-L560 PolarHBondContact O-N 3.39Å
561H92.4Very high92.5Very high196 Ų196112.8 Ų112.891%0.90764%0.642SS**  trans-73.4-39.3174.9179.169.4000112.8
562S86.5Confident92.4Very high160 Ų160120.4 Ų120.4100%1.11968%0.678SS**  trans-145.70-177.763.90000111.8

Retrieved 562 of 562 residues in 1050.7 ms (Link to these results)

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