A0A087XC56_POEFO Loading...

Phosphatidylinositol-specific phospholipase C X domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XC56, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 341 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
1C35.3Very low31.3Very low181 Ų181164.2 Ų164.2100%1.22387%0.87SS**  083.90-157.20000106.9
2S28Very low31.9Very low119 Ų119169.5 Ų169.583%0.83287%0.869SS**  trans-75.2126.3-172.4-50.20000109.7
3R28.7Very low32.3Very low241 Ų241169.2 Ų169.291%0.90986%0.862SS**  trans-109.499.5166.5-84.2-175.6174.9-174.5-1.5108L5R3-L5 PolarHBondContact O-N 3.25Å
4E29.5Very low32.8Very low174 Ų174166.9 Ų166.981%0.81385%0.853SS**  trans-57.4118161-71.6171.114400108.6K6E4-K6 PolarHBondContact O-N 3.23Å; E4-K6 VanDerWaalsContact O-N 3.13Å
5L29.7Very low33.7Very low171 Ų171160.4 Ų160.490%0.89582%0.824SS**  trans-75.294.3165.2-77.6161.1000107.6R3 M7R3-L5 PolarHBondContact O-N 3.25Å; L5-M7 PolarHBondContact O-N 3Å; L5-M7 VanDerWaalsContact O-N 3.1Å
6K29.2Very low34.4Very low192 Ų192151.8 Ų151.884%0.83579%0.787SS**  trans-66101.2162.7-83.9-179.2173.6178.50108.3E4E4-K6 PolarHBondContact O-N 3.23Å; E4-K6 VanDerWaalsContact O-N 3.13Å
7M30.8Very low35.4Very low173 Ų173146.8 Ų146.885%0.85278%0.782SS**  trans-71.8126.3160.1-80.6-146.2-72.900108.8L5L5-M7 PolarHBondContact O-N 3Å; L5-M7 VanDerWaalsContact O-N 3.1Å
8G28.6Very low37.8Very low74 Ų74140.8 Ų140.876%0.76376%0.761SS**  trans-65131.3-179.400000111.6N10G8-N10 PolarHBondContact O-N 3.37Å
9D37.1Very low40.8Very low155 Ų155134.6 Ų134.683%0.82973%0.727SS**  trans-74.5103.6173.1-153.78.8000108.1
10N33.5Very low43.5Very low146 Ų146128.9 Ų128.978%0.78170%0.697SS**  trans-140.8100.5170-114.5-1.4000108.5G8G8-N10 PolarHBondContact O-N 3.37Å
11Q33.5Very low46.1Very low180 Ų180124.8 Ų124.884%0.84168%0.675SS**  trans4577.5159.9-62.2-177.73.900115.7E13Q11-E13 PolarHBondContact O-N 3.47Å
12R38.8Very low49.1Very low228 Ų228116.3 Ų116.386%0.8662%0.618SS**  trans-74.295.8154.5-69.1178.4-178.2177-0.2107.8D14R12-D14 PolarHBondContact O-N 3.5Å
13E37.8Very low52.5Low165 Ų165110.8 Ų110.877%0.77158%0.578SS**  trans-59125.7151.4-75-176.6155.700106.8Q11 V15Q11-E13 PolarHBondContact O-N 3.47Å; E13-V15 VanDerWaalsContact C-N 3.3Å; E13-V15 HydrophobicContact CB-CG2 4.03Å; E13-V15 PolarHBondContact O-N 3.1Å
14D39.4Very low55.7Low137 Ų137101.1 Ų101.173%0.73355%0.548SS*.  trans-69.886.4175.9-174.89.4000108.8R12 G16 G17R12-D14 PolarHBondContact O-N 3.5Å; D14-G16 VanDerWaalsContact C-N 3.34Å; D14-G17 PolarHBondContact OD1-N 3.43Å
15V45Very low58.9Low70 Ų7098.9 Ų98.942%0.42453%0.532SS..SBendtrans-90.76.6-178.8-172.80000111.8E13 Q306E13-V15 VanDerWaalsContact C-N 3.3Å; E13-V15 HydrophobicContact CB-CG2 4.03Å; E13-V15 PolarHBondContact O-N 3.1Å; V15-Q306 HydrophobicContact CG1-CG 4.08Å
16G44.9Very low62.2Low23 Ų2391.3 Ų91.324%0.23749%0.492CS..  trans-166.910.1-171.300000119.4D14 G18D14-G16 VanDerWaalsContact C-N 3.34Å; G16-G18 VanDerWaalsContact C-N 3.32Å; G16-G18 PolarHBondContact O-N 3.2Å
17G51.4Low65.4Low67 Ų6783.8 Ų83.869%0.69146%0.463SS*.THydrogen-bonded Turntrans-67.784.4173.700000112.2D14D14-G17 PolarHBondContact OD1-N 3.43Å
18G78.8Confident68.5Low39 Ų3981.1 Ų81.140%0.40245%0.449SS..THydrogen-bonded Turntrans168.7-9173.500000116.9G16 R25G16-G18 VanDerWaalsContact C-N 3.32Å; G16-G18 PolarHBondContact O-N 3.2Å; G18-R25 PolarHBondContact O-NH1 3.35Å; G18-R25 PolarHBondContact O-NH2 3.11Å
19N94.6Very high71.6Confident23 Ų2383.9 Ų83.912%0.12344%0.442CS..  trans-92.40.2-173.8-70.6-24.9000114.7D21 W22 E96 L97 S309 I312N19-D21 PolarHBondContact O-N 3.11Å; N19-D21 VanDerWaalsContact O-N 3.09Å; N19-W22 VanDerWaalsContact O-CD1 3.23Å; N19-W22 PolarHBondContact O-N 3.12Å; N19-E96 CarbonylContact C-O 3.44Å; N19-L97 WeakPolarHBondContact CB-O 3.39Å; N19-L97 PolarHBondContact ND2-O 3.45Å; N19-L97 VanDerWaalsContact ND2-O 3.16Å; N19-S309 PolarHBondContact ND2-OG 3.47Å; N19-S309 VanDerWaalsContact ND2-OG 3.09Å; N19-I312 HydrophobicContact CB-CD1 3.97Å
20S96.2Very high74.5Confident19 Ų1976.8 Ų76.813%0.13340%0.404CS..THydrogen-bonded Turntrans-51.2-35.8-177.760.60000114.5E96 R100 W138S20-E96 VanDerWaalsContact CB-OE2 3.29Å; S20-E96 WeakPolarHBondContact CB-OE2 3.22Å; S20-E96 PolarHBondContact N-O 3.02Å; S20-E96 VanDerWaalsContact N-O 3.12Å; S20-R100 PolarHBondContact O-NH2 3.19Å; S20-W138 WeakPolarHBondContact O-CZ2 3.3Å
21D97.6Very high77.5Confident43 Ų4370.2 Ų70.223%0.2337%0.369CS..THydrogen-bonded Turntrans-124.436.9-175-60-85.3000112.3N19 M23 S24 H142 E145N19-D21 PolarHBondContact O-N 3.11Å; N19-D21 VanDerWaalsContact O-N 3.09Å; D21-M23 VanDerWaalsContact C-N 3.35Å; D21-M23 PolarHBondContact O-N 3.45Å; D21-S24 PolarHBondContact O-N 3Å; D21-S24 PolarHBondContact O-OG 3.21Å; D21-H142 VanDerWaalsContact CG-ND1 3.33Å; D21-H142 IonicContact OD1-CE1 3.3Å; D21-H142 IonicContact OD1-CG 3.53Å; D21-H142 IonicContact OD1-ND1 2.81Å; D21-H142 PolarHBondContact OD1-ND1 3.09Å; D21-H142 IonicContact OD2-CE1 3.15Å; D21-H142 IonicContact OD2-ND1 3.04Å; D21-H142 PolarHBondContact OD2-ND1 3.17Å; D21-E145 WeakPolarHBondContact CA-OE1 3.37Å
22W98.1Very high80.6Confident4 Ų465.8 Ų65.82%0.01535%0.351CS..THydrogen-bonded Turntrans-66.7-32.1-170.574.6-94.8000114N19 S24 R25 L26 G98 R100 I312N19-W22 VanDerWaalsContact O-CD1 3.23Å; N19-W22 PolarHBondContact O-N 3.12Å; W22-S24 VanDerWaalsContact C-N 3.32Å; W22-R25 VanDerWaalsContact CA-NH2 3.31Å; W22-R25 PolarHBondContact O-N 3.24Å; W22-L26 HydrophobicContact CE3-CD1 4.26Å; W22-L26 HydrophobicContact CE3-CD2 4.13Å; W22-L26 HydrophobicContact CE3-CG 4.17Å; W22-L26 HydrophobicContact CZ3-CD1 3.79Å; W22-L26 HydrophobicContact CZ3-CD2 4.12Å; W22-L26 HydrophobicContact CZ3-CG 4.17Å; W22-L26 PolarHBondContact O-N 3.17Å; W22-G98 PolarHBondContact NE1-O 3.44Å; W22-R100 HydrophobicContact CZ2-CG 3.91Å; W22-I312 HydrophobicContact CB-CD1 3.97Å; W22-I312 HydrophobicContact CB-CG2 4.14Å; W22-I312 HydrophobicContact CD2-CD1 3.98Å; W22-I312 HydrophobicContact CD2-CG1 3.74Å; W22-I312 HydrophobicContact CD2-CG2 4.06Å; W22-I312 HydrophobicContact CE3-CB 4.45Å; W22-I312 HydrophobicContact CE3-CG1 4.09Å; W22-I312 HydrophobicContact CE3-CG2 3.77Å; W22-I312 HydrophobicContact CG-CD1 3.59Å; W22-I312 HydrophobicContact CG-CG1 3.92Å; W22-I312 HydrophobicContact CG-CG2 4.24Å; W22-I312 HydrophobicContact CZ2-CG1 4.45Å; W22-I312 HydrophobicContact CZ3-CG2 4.47Å
23M98.6Very high83.4Confident2 Ų256.5 Ų56.51%0.0132%0.319CS..G310 helixtrans-67.3-37.9178.4-65.5-179.5156.700110.8D21 R25 L26 R100 E145 V146 L186D21-M23 VanDerWaalsContact C-N 3.35Å; D21-M23 PolarHBondContact O-N 3.45Å; M23-R25 PolarHBondContact O-N 3.13Å; M23-L26 PolarHBondContact O-N 3.27Å; M23-R100 HydrophobicContact CE-CB 3.92Å; M23-R100 HydrophobicContact CE-CG 3.7Å; M23-R100 HydrophobicContact SD-CG 4.22Å; M23-E145 WeakPolarHBondContact CB-OE1 3.39Å; M23-E145 WeakPolarHBondContact CB-OE2 3.38Å; M23-E145 WeakPolarHBondContact CG-OE2 3.45Å; M23-E145 PolarHBondContact N-OE1 3.44Å; M23-E145 VanDerWaalsContact N-OE1 3.15Å; M23-E145 PolarHBondContact N-OE2 2.65Å; M23-V146 VanDerWaalsContact CE-O 3.28Å; M23-V146 WeakPolarHBondContact CE-O 3.39Å; M23-V146 HydrophobicContact SD-CB 4Å; M23-V146 PolarHBondContact SD-N 3.11Å; M23-L186 HydrophobicContact CB-CD1 4.21Å; M23-L186 HydrophobicContact CB-CD2 3.9Å; M23-L186 HydrophobicContact CG-CD2 4.18Å; M23-L186 HydrophobicContact SD-CD2 3.79Å
24S97.4Very high86.2Confident39 Ų3950.1 Ų50.127%0.27329%0.292SS..G310 helixtrans-62.8-20.6176.281.90000114.4D21 W22 E145D21-S24 PolarHBondContact O-N 3Å; D21-S24 PolarHBondContact O-OG 3.21Å; W22-S24 VanDerWaalsContact C-N 3.32Å; S24-E145 PolarHBondContact N-OE1 3Å
25R96.8Very high89Confident127 Ų12743.7 Ų43.748%0.47926%0.258SS..G310 helixtrans-103.13.2-177.4-63.2-175.1-57.6-108.5-3.8113.6G18 W22 M23G18-R25 PolarHBondContact O-NH1 3.35Å; G18-R25 PolarHBondContact O-NH2 3.11Å; W22-R25 VanDerWaalsContact CA-NH2 3.31Å; W22-R25 PolarHBondContact O-N 3.24Å; M23-R25 PolarHBondContact O-N 3.13Å
26L97.3Very high91.5Very high11 Ų1142 Ų426%0.05824%0.244CC..SBendtrans-65.4148.8172.4-70.4179.4000110.5W22 M23 L30 L38 L186 N315 F316W22-L26 HydrophobicContact CE3-CD1 4.26Å; W22-L26 HydrophobicContact CE3-CD2 4.13Å; W22-L26 HydrophobicContact CE3-CG 4.17Å; W22-L26 HydrophobicContact CZ3-CD1 3.79Å; W22-L26 HydrophobicContact CZ3-CD2 4.12Å; W22-L26 HydrophobicContact CZ3-CG 4.17Å; W22-L26 PolarHBondContact O-N 3.17Å; M23-L26 PolarHBondContact O-N 3.27Å; L26-L30 HydrophobicContact CB-CB 4.44Å; L26-L30 HydrophobicContact CD2-CD1 4.27Å; L26-L38 HydrophobicContact CD1-CD1 4.27Å; L26-L186 HydrophobicContact CD1-CD1 3.63Å; L26-N315 HydrophobicContact CD2-CB 3.97Å; L26-F316 HydrophobicContact CD2-CZ 4.42Å
27P96.5Very high94.1Very high35 Ų3541.8 Ų41.823%0.22724%0.237CC..  trans-57.3148.9174.8-26.237000112.6E29 L30 F316 V319P27-E29 WeakPolarHBondContact CB-OE2 3.5Å; P27-E29 PolarHBondContact O-N 3.46Å; P27-E29 VanDerWaalsContact O-N 3.1Å; P27-L30 PolarHBondContact O-N 3.27Å; P27-F316 HydrophobicContact CG-CD1 4.17Å; P27-F316 HydrophobicContact CG-CE1 3.93Å; P27-V319 HydrophobicContact CB-CG2 4.29Å; P27-V319 HydrophobicContact CG-CG2 4.12Å
28E95.8Very high96.3Very high116 Ų11638.6 Ų38.654%0.54220%0.204SC..G310 helixtrans-53.1-36-176.7-169.274.2-153.500112L30 L31 R187E28-L30 PolarHBondContact O-N 3.3Å; E28-L31 WeakPolarHBondContact O-CB 3.46Å; E28-L31 WeakPolarHBondContact O-CG 3.09Å; E28-L31 PolarHBondContact O-N 3.2Å; E28-L31 VanDerWaalsContact O-N 3.13Å; E28-R187 IonicContact OE1-CZ 3.27Å; E28-R187 VanDerWaalsContact OE1-CZ 3.27Å; E28-R187 IonicContact OE1-NH1 2.87Å; E28-R187 PolarHBondContact OE1-NH1 3.47Å; E28-R187 IonicContact OE1-NH2 2.75Å; E28-R187 PolarHBondContact OE1-NH2 3.04Å
29E94.9Very high97.2Very high132 Ų13236.7 Ų36.762%0.61719%0.185SC*.G310 helixtrans-67-18.2-179.1-51.389.2159.900113.4P27P27-E29 WeakPolarHBondContact CB-OE2 3.5Å; P27-E29 PolarHBondContact O-N 3.46Å; P27-E29 VanDerWaalsContact O-N 3.1Å
30L97.1Very high97.4Very high6 Ų635.7 Ų35.73%0.03118%0.179CC..G310 helixtrans-93-10.3177.1-58.8-170.3000113.1L26 P27 E28 D32 V33 N315 L318 V319L26-L30 HydrophobicContact CB-CB 4.44Å; L26-L30 HydrophobicContact CD2-CD1 4.27Å; P27-L30 PolarHBondContact O-N 3.27Å; E28-L30 PolarHBondContact O-N 3.3Å; L30-D32 VanDerWaalsContact C-N 3.25Å; L30-D32 PolarHBondContact O-N 3.16Å; L30-V33 HydrophobicContact CD2-CG2 4.14Å; L30-V33 WeakPolarHBondContact O-CB 3.28Å; L30-V33 PolarHBondContact O-N 2.92Å; L30-V33 VanDerWaalsContact O-N 3.17Å; L30-N315 HydrophobicContact CD1-CB 4.1Å; L30-L318 HydrophobicContact CD2-CB 3.81Å; L30-L318 HydrophobicContact CD2-CD1 4.15Å; L30-V319 HydrophobicContact CD1-CG2 3.95Å; L30-V319 HydrophobicContact CD2-CG2 3.84Å; L30-V319 HydrophobicContact CG-CG2 3.84Å
31L97.8Very high97.6Very high8 Ų834.8 Ų34.84%0.04217%0.173CC..THydrogen-bonded Turntrans-69.5-25.9-174.4-59-175.4000113.1E28 T185 L186 R187 W190E28-L31 WeakPolarHBondContact O-CB 3.46Å; E28-L31 WeakPolarHBondContact O-CG 3.09Å; E28-L31 PolarHBondContact O-N 3.2Å; E28-L31 VanDerWaalsContact O-N 3.13Å; L31-T185 WeakPolarHBondContact O-CB 3.33Å; L31-L186 HydrophobicContact CD2-CB 4.12Å; L31-L186 HydrophobicContact CD2-CD1 4.01Å; L31-L186 PolarHBondContact O-N 3.18Å; L31-L186 VanDerWaalsContact O-N 3.11Å; L31-R187 HydrophobicContact CB-CB 4.26Å; L31-R187 PolarHBondContact O-N 2.65Å; L31-W190 HydrophobicContact CD1-CH2 4.4Å; L31-W190 HydrophobicContact CD1-CZ3 3.81Å; L31-W190 HydrophobicContact CD2-CH2 3.44Å; L31-W190 VanDerWaalsContact CD2-CH2 3.44Å; L31-W190 HydrophobicContact CD2-CZ2 4.36Å; L31-W190 HydrophobicContact CD2-CZ3 3.69Å; L31-W190 HydrophobicContact CG-CZ3 4.34Å
32D97.2Very high97.6Very high88 Ų8832.7 Ų32.747%0.47116%0.162SC..THydrogen-bonded Turntrans-97.12.6177.5-61.7-68.6000112.7L30 T185 R187L30-D32 VanDerWaalsContact C-N 3.25Å; L30-D32 PolarHBondContact O-N 3.16Å; D32-T185 WeakPolarHBondContact O-CG2 3.5Å; D32-R187 VanDerWaalsContact CG-NE 3.3Å; D32-R187 VanDerWaalsContact OD1-CD 3.23Å; D32-R187 WeakPolarHBondContact OD1-CD 3.26Å; D32-R187 IonicContact OD1-NE 3.28Å; D32-R187 PolarHBondContact OD1-NE 2.78Å; D32-R187 IonicContact OD2-CZ 3.53Å; D32-R187 IonicContact OD2-NE 3.73Å; D32-R187 PolarHBondContact OD2-NE 3.01Å; D32-R187 IonicContact OD2-NH2 3.27Å; D32-R187 PolarHBondContact OD2-NH2 3.26Å
33V97.4Very high97.6Very high33 Ų3332.5 Ų32.520%0.216%0.162CC..SBendtrans-74.9130.1173.8175.40000108.7L30 L35 N37 L38L30-V33 HydrophobicContact CD2-CG2 4.14Å; L30-V33 WeakPolarHBondContact O-CB 3.28Å; L30-V33 PolarHBondContact O-N 2.92Å; L30-V33 VanDerWaalsContact O-N 3.17Å; V33-L35 PolarHBondContact O-N 3.36Å; V33-N37 HydrophobicContact CG1-CB 3.62Å; V33-L38 HydrophobicContact CB-CD2 4.07Å; V33-L38 HydrophobicContact CG1-CD2 3.8Å; V33-L38 HydrophobicContact CG1-CG 4.26Å
34P97.9Very high97.6Very high31 Ų3133 Ų3320%0.20116%0.164CC..BIsolated β-bridgetrans-53.5138.2173.8-28.335.3000111.4W36 N37 T183 P184P34-W36 HydrophobicContact CB-CD2 4.18Å; P34-W36 HydrophobicContact CB-CG 4.29Å; P34-W36 HydrophobicContact CB-CZ2 4.2Å; P34-W36 PolarHBondContact O-N 3.19Å; P34-W36 VanDerWaalsContact O-N 3.16Å; P34-N37 WeakPolarHBondContact O-CA 3.41Å; P34-N37 VanDerWaalsContact O-CB 3.31Å; P34-N37 WeakPolarHBondContact O-CB 3.29Å; P34-N37 PolarHBondContact O-N 3.33Å; P34-T183 HydrophobicContact CB-CG2 3.86Å; P34-T183 HydrophobicContact CG-CG2 3.82Å; P34-P184 CarbonylContact C-O 3.22Å; P34-P184 WeakPolarHBondContact CA-O 3.37Å
35L98.4Very high97.6Very high1 Ų131.4 Ų31.41%0.00515%0.152CC..G310 helixtrans-60.2-31.2-175.1-67.1-175.6000112.9V33 N37 L38 V146 P184 L186 I197 F245 N295V33-L35 PolarHBondContact O-N 3.36Å; L35-N37 PolarHBondContact O-N 3.37Å; L35-L38 HydrophobicContact CD2-CD1 3.76Å; L35-L38 PolarHBondContact O-N 3.32Å; L35-L38 VanDerWaalsContact O-N 3.12Å; L35-V146 HydrophobicContact CD1-CB 4.35Å; L35-V146 HydrophobicContact CD1-CG1 3.81Å; L35-P184 HydrophobicContact CB-CG 4.49Å; L35-P184 HydrophobicContact CD1-CB 3.9Å; L35-P184 HydrophobicContact CD1-CG 4.28Å; L35-P184 HydrophobicContact CG-CB 4.24Å; L35-P184 HydrophobicContact CG-CG 4.49Å; L35-P184 WeakPolarHBondContact CG-O 3.32Å; L35-P184 PolarHBondContact N-O 3.23Å; L35-L186 HydrophobicContact CD2-CD2 3.75Å; L35-L186 HydrophobicContact CD2-CG 3.8Å; L35-I197 HydrophobicContact CD1-CD1 3.76Å; L35-F245 HydrophobicContact CB-CE1 3.73Å; L35-F245 HydrophobicContact CB-CZ 3.76Å; L35-N295 PolarHBondContact O-ND2 3.32Å; L35-N295 VanDerWaalsContact O-ND2 3.08Å
36W97.7Very high97.7Very high34 Ų3425.4 Ų25.413%0.12913%0.129CC..G310 helixtrans-68.5-8.4172.850.973.3000114.1P34 T183 P184 W213 R241 F245 N295P34-W36 HydrophobicContact CB-CD2 4.18Å; P34-W36 HydrophobicContact CB-CG 4.29Å; P34-W36 HydrophobicContact CB-CZ2 4.2Å; P34-W36 PolarHBondContact O-N 3.19Å; P34-W36 VanDerWaalsContact O-N 3.16Å; W36-T183 HydrophobicContact CH2-CG2 3.75Å; W36-T183 HydrophobicContact CZ2-CG2 3.43Å; W36-T183 VanDerWaalsContact CZ2-CG2 3.43Å; W36-P184 HydrophobicContact CE3-CG 4.47Å; W36-P184 HydrophobicContact CZ3-CG 4.13Å; W36-W213 AromaticContact CZ3-CH2 3.95Å; W36-W213 HydrophobicContact CZ3-CH2 3.95Å; W36-W213 AromaticContact CZ3-CZ3 3.88Å; W36-W213 HydrophobicContact CZ3-CZ3 3.88Å; W36-R241 PolarHBondContact O-NH1 3.49Å; W36-R241 VanDerWaalsContact O-NH1 3.09Å; W36-R241 PolarHBondContact O-NH2 2.89Å; W36-F245 HydrophobicContact CB-CD1 3.89Å; W36-F245 HydrophobicContact CB-CE1 4.06Å; W36-F245 HydrophobicContact CB-CG 4.23Å; W36-F245 HydrophobicContact CE3-CD2 4.11Å; W36-F245 AromaticContact CE3-CE2 3.69Å; W36-F245 HydrophobicContact CE3-CE2 3.69Å; W36-F245 AromaticContact CE3-CZ 3.92Å; W36-F245 HydrophobicContact CE3-CZ 3.92Å; W36-F245 HydrophobicContact CZ3-CE2 4.25Å; W36-N295 VanDerWaalsContact CA-ND2 3.27Å; W36-N295 WeakPolarHBondContact CA-ND2 3.44Å; W36-N295 WeakPolarHBondContact O-CB 2.82Å; W36-N295 VanDerWaalsContact O-CG 3.28Å; W36-N295 PolarHBondContact O-ND2 3.31Å; W36-N295 VanDerWaalsContact O-ND2 3.14Å
37N97.8Very high97.7Very high19 Ų1925.1 Ų25.110%0.10213%0.128CC..G310 helixtrans-101.6-2.2173.4-70.3-29.1000113.2V33 P34 L35 P287 G288 P289V33-N37 HydrophobicContact CG1-CB 3.62Å; P34-N37 WeakPolarHBondContact O-CA 3.41Å; P34-N37 VanDerWaalsContact O-CB 3.31Å; P34-N37 WeakPolarHBondContact O-CB 3.29Å; P34-N37 PolarHBondContact O-N 3.33Å; L35-N37 PolarHBondContact O-N 3.37Å; N37-P287 WeakPolarHBondContact O-CB 3.36Å; N37-G288 WeakPolarHBondContact O-CA 3.36Å; N37-G288 PolarHBondContact O-N 2.97Å; N37-P289 WeakPolarHBondContact OD1-CA 3.48Å
38L98.4Very high97.8Very high0 Ų023.7 Ų23.70%012%0.119CC..SBendtrans-88.5159.7170.2-61.5-179.1000110.8L26 V33 L35 I40 L186 N295 N315 L318L26-L38 HydrophobicContact CD1-CD1 4.27Å; V33-L38 HydrophobicContact CB-CD2 4.07Å; V33-L38 HydrophobicContact CG1-CD2 3.8Å; V33-L38 HydrophobicContact CG1-CG 4.26Å; L35-L38 HydrophobicContact CD2-CD1 3.76Å; L35-L38 PolarHBondContact O-N 3.32Å; L35-L38 VanDerWaalsContact O-N 3.12Å; L38-I40 HydrophobicContact CB-CG1 4.29Å; L38-L186 HydrophobicContact CD1-CD1 4.18Å; L38-L186 HydrophobicContact CD1-CG 4.42Å; L38-N295 WeakPolarHBondContact O-CA 3.26Å; L38-N295 PolarHBondContact O-ND2 3.2Å; L38-N315 WeakPolarHBondContact CA-OD1 3.47Å; L38-L318 HydrophobicContact CD2-CD1 4.13Å
39A98.6Very high97.8Very high0 Ų019.9 Ų19.90%010%0.1CC..  trans-86.8121.8165.500000109P287 N295 V311 L314 N315A39-P287 HydrophobicContact CB-CB 3.9Å; A39-P287 HydrophobicContact CB-CG 3.91Å; A39-N295 WeakPolarHBondContact CA-O 3.44Å; A39-V311 HydrophobicContact CB-CG1 4.09Å; A39-V311 WeakPolarHBondContact CB-O 3.39Å; A39-L314 HydrophobicContact CB-CB 3.74Å; A39-L314 HydrophobicContact CB-CD1 4.17Å; A39-L314 HydrophobicContact CB-CG 4.47Å; A39-N315 PolarHBondContact N-OD1 2.83Å; A39-N315 PolarHBondContact O-ND2 3.23Å
40I98.9Very high97.9Very high1 Ų114.3 Ų14.31%0.0058%0.076CC..EExtended strand (participates in β ladder)trans-123.9121.4-173.6-58179.4000109L38 R100 I148 F245 N295 I296 V297L38-I40 HydrophobicContact CB-CG1 4.29Å; I40-R100 HydrophobicContact CG2-CB 3.7Å; I40-I148 HydrophobicContact CD1-CD1 3.88Å; I40-F245 HydrophobicContact CD1-CE1 4.46Å; I40-N295 PolarHBondContact N-O 2.88Å; I40-I296 HydrophobicContact CB-CG1 4Å; I40-I296 HydrophobicContact CD1-CG1 4.5Å; I40-I296 HydrophobicContact CG2-CG1 4.4Å; I40-I296 VanDerWaalsContact O-CA 3.3Å; I40-I296 WeakPolarHBondContact O-CA 3.49Å; I40-V297 PolarHBondContact O-N 2.74Å
41P98.8Very high97.9Very high0 Ų014.4 Ų14.40%08%0.077CC..EExtended strand (participates in β ladder)trans-74.8134.3174.632.2-35.8000110.5G98 I99 R100 Y101 F307 C308 V311 I312P41-G98 WeakPolarHBondContact CG-O 3.47Å; P41-I99 HydrophobicContact CB-CD1 4.18Å; P41-R100 PolarHBondContact O-N 3Å; P41-Y101 PolarHBondContact O-N 3.12Å; P41-F307 HydrophobicContact CB-CE1 4.22Å; P41-C308 HydrophobicContact CB-CB 4.47Å; P41-V311 HydrophobicContact CB-CB 4.04Å; P41-V311 HydrophobicContact CB-CG1 4.05Å; P41-I312 HydrophobicContact CG-CD1 4.45Å; P41-I312 HydrophobicContact CG-CG1 4.1Å
42G98.6Very high97.8Very high0 Ų015.2 Ų15.20%08%0.081CC..EExtended strand (participates in β ladder)trans-127.9158.5177.800000112.9Y101 V297 C298 C299 F307G42-Y101 CarbonylContact C-O 3.58Å; G42-Y101 WeakPolarHBondContact CA-O 3.5Å; G42-V297 PolarHBondContact N-O 3.48Å; G42-C298 VanDerWaalsContact CA-SG 3.58Å; G42-C298 VanDerWaalsContact O-CA 3.32Å; G42-C298 WeakPolarHBondContact O-CA 3.38Å; G42-C299 PolarHBondContact O-N 2.91Å; G42-F307 WeakPolarHBondContact O-CE1 3.32Å
43S98.4Very high97.7Very high0 Ų014.9 Ų14.90%08%0.077CC..EExtended strand (participates in β ladder)trans-109.4133.9171.148.30000110.2S46 Q94 Y101 D103S43-S46 PolarHBondContact O-OG 3.21Å; S43-S46 PolarHBondContact OG-OG 3.02Å; S43-S46 VanDerWaalsContact OG-OG 3.13Å; S43-Q94 PolarHBondContact OG-OE1 3.16Å; S43-Y101 PolarHBondContact N-O 3.45Å; S43-D103 WeakPolarHBondContact O-CB 3.3Å; S43-D103 PolarHBondContact O-N 3.14Å
44H98.1Very high97.5Very high13 Ų1317.5 Ų17.56%0.0610%0.097CC..THydrogen-bonded Turntrans-83137.4172.9168.1-110.9000109.7S46 T86 Q87 D103 R105 Y218 N251 C299 D300H44-S46 VanDerWaalsContact C-N 3.34Å; H44-S46 PolarHBondContact O-N 3.09Å; H44-T86 PolarHBondContact O-OG1 3.34Å; H44-Q87 PolarHBondContact O-NE2 2.74Å; H44-D103 IonicContact CD2-OD2 3.86Å; H44-R105 PolarHBondContact CD2-NH2 3.07Å; H44-R105 PolarHBondContact NE2-NH2 3.14Å; H44-Y218 WeakPolarHBondContact CB-OH 3.21Å; H44-N251 HydrophobicContact CB-CB 4.33Å; H44-C299 PolarHBondContact N-O 3.26Å; H44-D300 VanDerWaalsContact CB-OD1 3.32Å; H44-D300 WeakPolarHBondContact CB-OD1 3.35Å; H44-D300 IonicContact CE1-OD1 2.68Å; H44-D300 IonicContact CG-OD1 3.95Å; H44-D300 IonicContact ND1-OD1 3.57Å; H44-D300 PolarHBondContact ND1-OD1 3.13Å; H44-D300 IonicContact ND1-OD2 3.84Å
45D97.6Very high97.3Very high5 Ų516.2 Ų16.23%0.0279%0.089CC..THydrogen-bonded Turntrans45.656.4-177.9-85.8-42.9000112.6M47 S48 T86 D103 R105 H120D45-M47 PolarHBondContact O-N 3.14Å; D45-S48 VanDerWaalsContact O-CB 3.31Å; D45-S48 WeakPolarHBondContact O-CB 3.39Å; D45-S48 PolarHBondContact O-N 3.36Å; D45-S48 PolarHBondContact O-OG 2.97Å; D45-T86 HydrophobicContact CB-CG2 3.96Å; D45-T86 WeakPolarHBondContact CB-OG1 3.4Å; D45-T86 PolarHBondContact O-OG1 3.38Å; D45-T86 VanDerWaalsContact O-OG1 3.08Å; D45-D103 PolarHBondContact N-OD2 3.38Å; D45-R105 WeakPolarHBondContact OD1-CD 3.49Å; D45-R105 WeakPolarHBondContact OD1-CG 3.31Å; D45-R105 IonicContact OD1-CZ 2.92Å; D45-R105 IonicContact OD1-NE 3.39Å; D45-R105 PolarHBondContact OD1-NE 2.97Å; D45-R105 IonicContact OD1-NH1 2.74Å; D45-R105 PolarHBondContact OD1-NH1 2.79Å; D45-R105 IonicContact OD1-NH2 3.57Å; D45-R105 IonicContact OD2-CZ 2.67Å; D45-R105 IonicContact OD2-NE 3.69Å; D45-R105 IonicContact OD2-NH1 3.71Å; D45-R105 PolarHBondContact OD2-NH1 3.08Å; D45-R105 IonicContact OD2-NH2 3.4Å; D45-R105 PolarHBondContact OD2-NH2 3.12Å; D45-R105 VanDerWaalsContact OD2-NH2 3.15Å; D45-H120 IonicContact OD2-CD2 2.91Å; D45-H120 IonicContact OD2-CE1 3.4Å; D45-H120 PolarHBondContact OD2-CE1 3.35Å; D45-H120 VanDerWaalsContact OD2-CE1 3.27Å; D45-H120 IonicContact OD2-CG 3.24Å; D45-H120 IonicContact OD2-ND1 2.97Å; D45-H120 PolarHBondContact OD2-ND1 3.45Å; D45-H120 IonicContact OD2-NE2 2.95Å
46S98.4Very high97Very high0 Ų018.7 Ų18.70%011%0.105CC..THydrogen-bonded Turntrans-54.5-27.2-163-42.90000114.3S43 H44 Q94 L102 D103S43-S46 PolarHBondContact O-OG 3.21Å; S43-S46 PolarHBondContact OG-OG 3.02Å; S43-S46 VanDerWaalsContact OG-OG 3.13Å; H44-S46 VanDerWaalsContact C-N 3.34Å; H44-S46 PolarHBondContact O-N 3.09Å; S46-Q94 PolarHBondContact O-NE2 3.01Å; S46-L102 WeakPolarHBondContact OG-CA 3.22Å; S46-D103 WeakPolarHBondContact CB-O 3.17Å; S46-D103 PolarHBondContact N-O 2.92Å; S46-D103 PolarHBondContact OG-N 3.1Å; S46-D103 PolarHBondContact OG-O 3.13Å
47M98.3Very high96.9Very high5 Ų517.7 Ų17.73%0.02510%0.103CC..THydrogen-bonded Turntrans-96.3-0.5-174.8-66.1-59.6-57.200114.5D45 F49 C50 L91 L104 F118 T124 M126 A131D45-M47 PolarHBondContact O-N 3.14Å; M47-F49 HydrophobicContact CE-CE1 3.61Å; M47-F49 HydrophobicContact CE-CZ 4.02Å; M47-F49 PolarHBondContact O-N 3.19Å; M47-F49 HydrophobicContact SD-CE1 3.9Å; M47-C50 PolarHBondContact O-N 2.61Å; M47-C50 PolarHBondContact O-SG 3.23Å; M47-L91 HydrophobicContact CG-CD2 4.44Å; M47-L91 HydrophobicContact SD-CD1 3.64Å; M47-L91 HydrophobicContact SD-CD2 3.52Å; M47-L91 VanDerWaalsContact SD-CD2 3.52Å; M47-L91 HydrophobicContact SD-CG 3.41Å; M47-L91 WeakPolarHBondContact SD-CG 3.45Å; M47-L104 HydrophobicContact CG-CD2 3.71Å; M47-F118 HydrophobicContact CB-CB 3.61Å; M47-F118 HydrophobicContact CB-CD1 4.1Å; M47-F118 HydrophobicContact CB-CD2 3.66Å; M47-F118 HydrophobicContact CB-CE2 4.32Å; M47-F118 HydrophobicContact CB-CG 3.51Å; M47-F118 HydrophobicContact CE-CD2 3.72Å; M47-F118 HydrophobicContact CE-CE2 3.59Å; M47-F118 HydrophobicContact CE-CZ 4.43Å; M47-F118 HydrophobicContact CG-CB 4.19Å; M47-F118 HydrophobicContact CG-CD1 3.73Å; M47-F118 HydrophobicContact CG-CD2 3.5Å; M47-F118 VanDerWaalsContact CG-CD2 3.5Å; M47-F118 HydrophobicContact CG-CE1 3.88Å; M47-F118 HydrophobicContact CG-CE2 3.66Å; M47-F118 HydrophobicContact CG-CG 3.51Å; M47-F118 HydrophobicContact CG-CZ 3.82Å; M47-F118 HydrophobicContact SD-CD2 4.3Å; M47-F118 HydrophobicContact SD-CE2 4.06Å; M47-F118 HydrophobicContact SD-CZ 4.37Å; M47-T124 HydrophobicContact CB-CG2 4.28Å; M47-T124 WeakPolarHBondContact O-CG2 3.2Å; M47-M126 HydrophobicContact CE-CB 4.36Å; M47-M126 HydrophobicContact CE-CG 4.37Å; M47-M126 HydrophobicContact CE-SD 3.78Å; M47-A131 HydrophobicContact CE-CB 3.63Å; M47-A131 HydrophobicContact SD-CB 4.07Å
48S97.1Very high96.8Very high5 Ų517.3 Ų17.34%0.03510%0.101CC..G310 helixtrans-67-5.1-176.670.80000114.7D45 C50 L51 T85 T86 Q87D45-S48 VanDerWaalsContact O-CB 3.31Å; D45-S48 WeakPolarHBondContact O-CB 3.39Å; D45-S48 PolarHBondContact O-N 3.36Å; D45-S48 PolarHBondContact O-OG 2.97Å; S48-C50 PolarHBondContact O-N 2.92Å; S48-L51 WeakPolarHBondContact O-CG 3.34Å; S48-T85 PolarHBondContact O-OG1 3.4Å; S48-T86 WeakPolarHBondContact OG-CA 3.18Å; S48-T86 PolarHBondContact OG-N 2.94Å; S48-T86 PolarHBondContact OG-OG1 3.29Å; S48-Q87 PolarHBondContact OG-N 3.4Å
49F96.9Very high96.5Very high36 Ų3622.5 Ų22.516%0.15812%0.123CC..G310 helixtrans-65.7-24175.276.1-87.3000113.4M47 Q87 S89 V90 M126M47-F49 HydrophobicContact CE-CE1 3.61Å; M47-F49 HydrophobicContact CE-CZ 4.02Å; M47-F49 PolarHBondContact O-N 3.19Å; M47-F49 HydrophobicContact SD-CE1 3.9Å; F49-Q87 WeakPolarHBondContact CA-O 3.39Å; F49-Q87 HydrophobicContact CB-CB 4.3Å; F49-Q87 WeakPolarHBondContact CB-O 3.36Å; F49-S89 WeakPolarHBondContact CD1-O 3.29Å; F49-S89 WeakPolarHBondContact CG-O 3.44Å; F49-V90 HydrophobicContact CD2-CG1 4.32Å; F49-V90 HydrophobicContact CE1-CG1 4.46Å; F49-V90 HydrophobicContact CE2-CB 4.29Å; F49-V90 HydrophobicContact CE2-CG1 3.43Å; F49-V90 VanDerWaalsContact CE2-CG1 3.43Å; F49-V90 HydrophobicContact CZ-CB 4.04Å; F49-V90 HydrophobicContact CZ-CG1 3.53Å; F49-M126 HydrophobicContact CZ-SD 4.45Å
50C96.8Very high96.2Very high16 Ų1626.2 Ų26.211%0.10815%0.149CC..G310 helixtrans-118.533-175.5660000113.4M47 S48 D52 T124 L125M47-C50 PolarHBondContact O-N 2.61Å; M47-C50 PolarHBondContact O-SG 3.23Å; S48-C50 PolarHBondContact O-N 2.92Å; C50-D52 PolarHBondContact O-N 3.43Å; C50-T124 CarbonylContact O-C 3.6Å; C50-T124 WeakPolarHBondContact O-CA 3.44Å; C50-L125 PolarHBondContact O-N 3.24Å
51L97.2Very high95.9Very high8 Ų828.4 Ų28.44%0.04216%0.159CC..BIsolated β-bridgetrans-56.2131.8173.8-67.6176.3000111.4S48 M53 Y81 I122 T124S48-L51 WeakPolarHBondContact O-CG 3.34Å; L51-M53 PolarHBondContact O-N 3.26Å; L51-Y81 HydrophobicContact CB-CD2 3.75Å; L51-Y81 HydrophobicContact CB-CE2 3.9Å; L51-Y81 WeakPolarHBondContact O-CE2 3.02Å; L51-I122 HydrophobicContact CB-CD1 4.09Å; L51-I122 HydrophobicContact CB-CG1 4.12Å; L51-I122 HydrophobicContact CD1-CG1 4.24Å; L51-I122 HydrophobicContact CD2-CG1 4.21Å; L51-I122 WeakPolarHBondContact CD2-O 3.18Å; L51-I122 HydrophobicContact CG-CG1 4.41Å; L51-T124 HydrophobicContact CD2-CG2 4.12Å
52D95.6Very high95.7Very high24 Ų2432.2 Ų32.213%0.12818%0.184CC..  trans-89.8100.1179.9178.95.6000109.8C50 S54 S55 K109 Y123 L125C50-D52 PolarHBondContact O-N 3.43Å; D52-S54 VanDerWaalsContact CG-OG 3.29Å; D52-S54 PolarHBondContact O-N 2.75Å; D52-S54 WeakPolarHBondContact OD1-CA 3.39Å; D52-S54 VanDerWaalsContact OD1-CB 3.31Å; D52-S54 WeakPolarHBondContact OD1-CB 3.14Å; D52-S54 PolarHBondContact OD1-N 2.87Å; D52-S54 PolarHBondContact OD1-OG 2.71Å; D52-S54 PolarHBondContact OD2-OG 2.68Å; D52-S55 VanDerWaalsContact O-CB 3.3Å; D52-S55 WeakPolarHBondContact O-CB 3.37Å; D52-S55 PolarHBondContact O-N 3.19Å; D52-S55 PolarHBondContact O-OG 2.73Å; D52-K109 IonicContact OD2-NZ 2.8Å; D52-Y123 WeakPolarHBondContact CB-O 3.29Å; D52-Y123 PolarHBondContact N-O 3.1Å; D52-L125 HydrophobicContact CB-CD2 3.64Å; D52-L125 HydrophobicContact CB-CG 3.82Å
53M94.4Very high95.4Very high81 Ų8140.4 Ų40.440%0.39922%0.215SC..THydrogen-bonded Turntrans-59.5-16.4176.4-7118056.700114.1L51 R77 P78 Y81L51-M53 PolarHBondContact O-N 3.26Å; M53-R77 WeakPolarHBondContact O-CD 3.26Å; M53-P78 HydrophobicContact CE-CB 3.92Å; M53-P78 HydrophobicContact CE-CG 3.7Å; M53-Y81 HydrophobicContact CG-CD1 4.35Å; M53-Y81 HydrophobicContact CG-CD2 3.45Å; M53-Y81 VanDerWaalsContact CG-CD2 3.45Å; M53-Y81 HydrophobicContact CG-CE2 4.15Å; M53-Y81 HydrophobicContact CG-CG 3.59Å; M53-Y81 HydrophobicContact SD-CD1 4.02Å; M53-Y81 HydrophobicContact SD-CD2 4.12Å; M53-Y81 HydrophobicContact SD-CE1 4.44Å; M53-Y81 HydrophobicContact SD-CG 3.86Å
54S93Very high95.1Very high88 Ų8845.7 Ų45.762%0.61524%0.243SC*.THydrogen-bonded Turntrans-87-14.5175.779.10000113.1D52 R77D52-S54 VanDerWaalsContact CG-OG 3.29Å; D52-S54 PolarHBondContact O-N 2.75Å; D52-S54 WeakPolarHBondContact OD1-CA 3.39Å; D52-S54 VanDerWaalsContact OD1-CB 3.31Å; D52-S54 WeakPolarHBondContact OD1-CB 3.14Å; D52-S54 PolarHBondContact OD1-N 2.87Å; D52-S54 PolarHBondContact OD1-OG 2.71Å; D52-S54 PolarHBondContact OD2-OG 2.68Å; S54-R77 PolarHBondContact O-NH1 3.11Å
55S93.8Very high94.9Very high5 Ų547.4 Ų47.44%0.03525%0.252CS..SBendtrans-72.9154.6179.275.50000112.3D52 Y123D52-S55 VanDerWaalsContact O-CB 3.3Å; D52-S55 WeakPolarHBondContact O-CB 3.37Å; D52-S55 PolarHBondContact O-N 3.19Å; D52-S55 PolarHBondContact O-OG 2.73Å; S55-Y123 PolarHBondContact OG-N 3.27Å
56P93.4Very high94.7Very high52 Ų5252 Ų5234%0.33827%0.269SS..PPolyproline II helixtrans-71158175.930-34000111.4P110 Y123P56-P110 HydrophobicContact CG-CG 4.46Å; P56-Y123 HydrophobicContact CG-CD2 4.34Å; P56-Y123 HydrophobicContact CG-CE2 3.97Å; P56-Y123 VanDerWaalsContact O-CD2 3.27Å; P56-Y123 WeakPolarHBondContact O-CD2 3.15Å; P56-Y123 WeakPolarHBondContact O-CE2 3.26Å
57V95.3Very high94.6Very high14 Ų1454.8 Ų54.89%0.08528%0.284CS..PPolyproline II helixtrans-65.7141.3170.2179.20000110.2E61 L65 R66 D69 I80 G121 I122V57-E61 HydrophobicContact CG1-CB 3.65Å; V57-E61 HydrophobicContact CG1-CG 3.6Å; V57-L65 HydrophobicContact CG1-CD2 4.34Å; V57-L65 HydrophobicContact CG1-CG 4.43Å; V57-R66 HydrophobicContact CG1-CG 4.19Å; V57-D69 HydrophobicContact CB-CB 4.38Å; V57-D69 HydrophobicContact CG2-CB 3.63Å; V57-D69 VanDerWaalsContact CG2-CG 3.48Å; V57-I80 HydrophobicContact CB-CD1 4.43Å; V57-I80 HydrophobicContact CG1-CD1 4.18Å; V57-I80 HydrophobicContact CG2-CD1 3.35Å; V57-G121 WeakPolarHBondContact CA-O 3.22Å; V57-I122 HydrophobicContact CG2-CG2 4.14Å
58L94.4Very high94.4Very high11 Ų1156.7 Ų56.76%0.05830%0.296CS..PPolyproline II helixtrans-57.8150.9179.5-68168.7000111.3S60 E61 A107 A119 G121 Y123 E155L58-S60 VanDerWaalsContact C-N 3.34Å; L58-E61 HydrophobicContact CB-CG 3.9Å; L58-E61 WeakPolarHBondContact O-CB 3.43Å; L58-E61 PolarHBondContact O-N 2.78Å; L58-A107 HydrophobicContact CD2-CB 4.2Å; L58-A119 HydrophobicContact CD1-CB 3.69Å; L58-A119 HydrophobicContact CD2-CB 3.43Å; L58-A119 VanDerWaalsContact CD2-CB 3.43Å; L58-A119 HydrophobicContact CG-CB 3.98Å; L58-G121 PolarHBondContact N-O 2.97Å; L58-Y123 HydrophobicContact CD2-CD1 4.19Å; L58-Y123 HydrophobicContact CD2-CD2 4.32Å; L58-Y123 HydrophobicContact CD2-CE1 3.66Å; L58-Y123 HydrophobicContact CD2-CE2 3.78Å; L58-Y123 VanDerWaalsContact CD2-CZ 3.43Å; L58-E155 HydrophobicContact CD2-CG 3.9Å
59K92.4Very high94.3Very high109 Ų10957.1 Ų57.147%0.47430%0.298SS..THydrogen-bonded Turntrans-73.9-28-178.4-61.1176.3-174.3161.70112.2E61 R66 E155K59-E61 PolarHBondContact O-N 3.28Å; K59-R66 VanDerWaalsContact O-CZ 3.25Å; K59-R66 PolarHBondContact O-NH1 3.27Å; K59-E155 WeakPolarHBondContact CB-OE1 3.05Å
60S92.2Very high94.1Very high78 Ų7865.7 Ų65.755%0.54533%0.329SS..THydrogen-bonded Turntrans-65.8-19174.233.20000113.3L58 E155L58-S60 VanDerWaalsContact C-N 3.34Å; S60-E155 WeakPolarHBondContact CB-OE2 3.35Å; S60-E155 PolarHBondContact OG-OE2 3.17Å
61E93.9Very high94.1Very high46 Ų4669.9 Ų69.922%0.21535%0.35CS..SBendtrans-64.7151.6-179.8-66.7-63.6152.700112.7V57 L58 K59 W63 L65 R66 G121V57-E61 HydrophobicContact CG1-CB 3.65Å; V57-E61 HydrophobicContact CG1-CG 3.6Å; L58-E61 HydrophobicContact CB-CG 3.9Å; L58-E61 WeakPolarHBondContact O-CB 3.43Å; L58-E61 PolarHBondContact O-N 2.78Å; K59-E61 PolarHBondContact O-N 3.28Å; E61-W63 PolarHBondContact O-N 3.48Å; E61-L65 HydrophobicContact CB-CD2 4.21Å; E61-L65 HydrophobicContact CG-CD2 4.41Å; E61-R66 HydrophobicContact CB-CG 4.25Å; E61-R66 WeakPolarHBondContact O-CD 3.4Å; E61-R66 PolarHBondContact O-NE 3.33Å; E61-G121 WeakPolarHBondContact OE1-CA 3.41Å
62P93.4Very high94Very high80 Ų8075.1 Ų75.152%0.51937%0.373SS..  trans-49.7138.4-179.6-28.735.5000112.4L64 L65 R66P62-L64 PolarHBondContact O-N 2.99Å; P62-L64 VanDerWaalsContact O-N 3.13Å; P62-L65 HydrophobicContact CB-CB 4.43Å; P62-L65 WeakPolarHBondContact O-CB 3.28Å; P62-L65 PolarHBondContact O-N 2.85Å; P62-R66 PolarHBondContact O-N 3.38Å; P62-R66 VanDerWaalsContact O-N 3.07Å
63W93.5Very high93.9Very high172 Ų17276.1 Ų76.165%0.65238%0.381SS*.Hα-helixtrans-52.2-39.7-180169.887.4000112.7E61 L65 R66 L67E61-W63 PolarHBondContact O-N 3.48Å; W63-L65 VanDerWaalsContact C-N 3.35Å; W63-L65 PolarHBondContact O-N 3.07Å; W63-R66 PolarHBondContact O-N 3.4Å; W63-L67 HydrophobicContact CH2-CD2 3.44Å; W63-L67 VanDerWaalsContact CH2-CD2 3.44Å; W63-L67 HydrophobicContact CZ2-CB 4.47Å; W63-L67 HydrophobicContact CZ2-CD2 3.68Å; W63-L67 HydrophobicContact CZ3-CD2 4.08Å; W63-L67 WeakPolarHBondContact O-CB 3.38Å; W63-L67 PolarHBondContact O-N 3.41Å
64L92.4Very high93.8Very high111 Ų11177.5 Ų77.558%0.58140%0.397SS*.Hα-helixtrans-62.1-43.5178.8-177.461.3000111.3P62 L67 T68P62-L64 PolarHBondContact O-N 2.99Å; P62-L64 VanDerWaalsContact O-N 3.13Å; L64-L67 PolarHBondContact O-N 3.25Å; L64-T68 WeakPolarHBondContact O-CG2 3.43Å; L64-T68 PolarHBondContact O-N 3.38Å; L64-T68 PolarHBondContact O-OG1 3.34Å
65L92.4Very high93.8Very high50 Ų5079.3 Ų79.326%0.26240%0.399SS..Hα-helixtrans-62.5-44.8177.5-172.562.1000110.9V57 E61 P62 W63 L67 T68 D69 T76 I80V57-L65 HydrophobicContact CG1-CD2 4.34Å; V57-L65 HydrophobicContact CG1-CG 4.43Å; E61-L65 HydrophobicContact CB-CD2 4.21Å; E61-L65 HydrophobicContact CG-CD2 4.41Å; P62-L65 HydrophobicContact CB-CB 4.43Å; P62-L65 WeakPolarHBondContact O-CB 3.28Å; P62-L65 PolarHBondContact O-N 2.85Å; W63-L65 VanDerWaalsContact C-N 3.35Å; W63-L65 PolarHBondContact O-N 3.07Å; L65-L67 VanDerWaalsContact C-N 3.34Å; L65-L67 PolarHBondContact O-N 3.05Å; L65-T68 WeakPolarHBondContact CA-OG1 3.37Å; L65-T68 PolarHBondContact O-N 3.36Å; L65-T68 PolarHBondContact O-OG1 2.89Å; L65-D69 PolarHBondContact O-N 3.47Å; L65-T76 HydrophobicContact CD1-CG2 3.79Å; L65-I80 HydrophobicContact CD1-CD1 4Å; L65-I80 HydrophobicContact CD1-CG1 4.18Å; L65-I80 HydrophobicContact CD2-CD1 3.94Å; L65-I80 HydrophobicContact CD2-CG1 4.26Å; L65-I80 HydrophobicContact CG-CD1 4.03Å
66R95Very high93.7Very high100 Ų10079.8 Ų79.838%0.37740%0.402SS..Hα-helixtrans-62.6-38.4175.7-65.4-176.1-64.8172.35.3112.5V57 K59 E61 P62 W63 D69 R70V57-R66 HydrophobicContact CG1-CG 4.19Å; K59-R66 VanDerWaalsContact O-CZ 3.25Å; K59-R66 PolarHBondContact O-NH1 3.27Å; E61-R66 HydrophobicContact CB-CG 4.25Å; E61-R66 WeakPolarHBondContact O-CD 3.4Å; E61-R66 PolarHBondContact O-NE 3.33Å; P62-R66 PolarHBondContact O-N 3.38Å; P62-R66 VanDerWaalsContact O-N 3.07Å; W63-R66 PolarHBondContact O-N 3.4Å; R66-D69 PolarHBondContact O-N 2.88Å; R66-R70 PolarHBondContact O-N 3.03Å; R66-R70 VanDerWaalsContact O-N 3.11Å
67L94.6Very high93.8Very high59 Ų5979.9 Ų79.931%0.30940%0.395SS..Hα-helixtrans-65-44.3174.1178.763.3000111.1W63 L64 L65 D69 R70 L71W63-L67 HydrophobicContact CH2-CD2 3.44Å; W63-L67 VanDerWaalsContact CH2-CD2 3.44Å; W63-L67 HydrophobicContact CZ2-CB 4.47Å; W63-L67 HydrophobicContact CZ2-CD2 3.68Å; W63-L67 HydrophobicContact CZ3-CD2 4.08Å; W63-L67 WeakPolarHBondContact O-CB 3.38Å; W63-L67 PolarHBondContact O-N 3.41Å; L64-L67 PolarHBondContact O-N 3.25Å; L65-L67 VanDerWaalsContact C-N 3.34Å; L65-L67 PolarHBondContact O-N 3.05Å; L67-D69 VanDerWaalsContact C-N 3.34Å; L67-D69 PolarHBondContact O-N 2.98Å; L67-R70 PolarHBondContact O-N 3.22Å; L67-L71 HydrophobicContact CD1-CD1 4.15Å; L67-L71 HydrophobicContact CD1-CG 4.32Å; L67-L71 HydrophobicContact CG-CD1 4.14Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 3.4Å; L67-L71 VanDerWaalsContact O-N 3.08Å
68T93.9Very high93.7Very high46 Ų4681.6 Ų81.628%0.28241%0.407SS..Hα-helixtrans-66.4-33.3177.452.90000112.7L64 L65 L71 F72 T76L64-T68 WeakPolarHBondContact O-CG2 3.43Å; L64-T68 PolarHBondContact O-N 3.38Å; L64-T68 PolarHBondContact O-OG1 3.34Å; L65-T68 WeakPolarHBondContact CA-OG1 3.37Å; L65-T68 PolarHBondContact O-N 3.36Å; L65-T68 PolarHBondContact O-OG1 2.89Å; T68-L71 PolarHBondContact O-N 2.84Å; T68-F72 CarbonylContact O-C 3.53Å; T68-F72 WeakPolarHBondContact O-CA 3.4Å; T68-F72 PolarHBondContact O-N 2.97Å; T68-T76 VanDerWaalsContact C-OG1 3.3Å; T68-T76 PolarHBondContact O-OG1 3.26Å
69D95.4Very high93.7Very high14 Ų1483.1 Ų83.18%0.07542%0.418CS..Hα-helixtrans-63.8-42.3171.7-176.861.5000111.4V57 L65 R66 L67 L71 P73 T76 R77V57-D69 HydrophobicContact CB-CB 4.38Å; V57-D69 HydrophobicContact CG2-CB 3.63Å; V57-D69 VanDerWaalsContact CG2-CG 3.48Å; L65-D69 PolarHBondContact O-N 3.47Å; R66-D69 PolarHBondContact O-N 2.88Å; L67-D69 VanDerWaalsContact C-N 3.34Å; L67-D69 PolarHBondContact O-N 2.98Å; D69-L71 VanDerWaalsContact C-N 3.34Å; D69-L71 PolarHBondContact O-N 3.01Å; D69-P73 VanDerWaalsContact O-CA 3.28Å; D69-P73 WeakPolarHBondContact O-CA 3.5Å; D69-P73 VanDerWaalsContact O-CB 3.28Å; D69-P73 WeakPolarHBondContact O-CB 3.46Å; D69-P73 WeakPolarHBondContact O-CD 3.26Å; D69-P73 VanDerWaalsContact O-N 3.1Å; D69-T76 HydrophobicContact CB-CG2 4.05Å; D69-R77 WeakPolarHBondContact OD1-CG 3.43Å; D69-R77 IonicContact OD1-CZ 2.72Å; D69-R77 IonicContact OD1-NE 3.96Å; D69-R77 PolarHBondContact OD1-NE 3.17Å; D69-R77 IonicContact OD1-NH2 2.73Å; D69-R77 IonicContact OD2-CZ 3.89Å; D69-R77 IonicContact OD2-NE 3.6Å; D69-R77 IonicContact OD2-NH2 3.38Å; D69-R77 PolarHBondContact OD2-NH2 2.94Å
70R94.1Very high93.8Very high215 Ų21578.5 Ų78.581%0.81140%0.398SS*.Hα-helixtrans-63.7-38.5178.4-177178175.3171-0.1112.8R66 L67R66-R70 PolarHBondContact O-N 3.03Å; R66-R70 VanDerWaalsContact O-N 3.11Å; L67-R70 PolarHBondContact O-N 3.22Å
71L95.8Very high93.9Very high105 Ų10578.6 Ų78.655%0.5539%0.387SS..Hα-helixtrans-84.2-37.6-178-64.5176.3000112.6L67 T68 D69L67-L71 HydrophobicContact CD1-CD1 4.15Å; L67-L71 HydrophobicContact CD1-CG 4.32Å; L67-L71 HydrophobicContact CG-CD1 4.14Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 3.4Å; L67-L71 VanDerWaalsContact O-N 3.08Å; T68-L71 PolarHBondContact O-N 2.84Å; D69-L71 VanDerWaalsContact C-N 3.34Å; D69-L71 PolarHBondContact O-N 3.01Å
72F94.9Very high93.9Very high117 Ų11779.6 Ų79.651%0.51339%0.389SS..  trans-138.458.7-171-53.4-72.7000112.5T68 C74 L75 T76T68-F72 CarbonylContact O-C 3.53Å; T68-F72 WeakPolarHBondContact O-CA 3.4Å; T68-F72 PolarHBondContact O-N 2.97Å; F72-C74 VanDerWaalsContact C-N 3.26Å; F72-C74 PolarHBondContact O-N 3.22Å; F72-L75 HydrophobicContact CB-CB 4.34Å; F72-L75 HydrophobicContact CB-CD1 4.31Å; F72-L75 PolarHBondContact O-N 3.13Å; F72-T76 PolarHBondContact O-N 2.86Å; F72-T76 PolarHBondContact O-OG1 2.88Å; F72-T76 VanDerWaalsContact O-OG1 3.05Å
73P93.3Very high94Very high46 Ų4675.9 Ų75.930%0.29937%0.365SS..Hα-helixtrans-61.3-35.5-173.423.3-32000112.4D69 L75 R77D69-P73 VanDerWaalsContact O-CA 3.28Å; D69-P73 WeakPolarHBondContact O-CA 3.5Å; D69-P73 VanDerWaalsContact O-CB 3.28Å; D69-P73 WeakPolarHBondContact O-CB 3.46Å; D69-P73 WeakPolarHBondContact O-CD 3.26Å; D69-P73 VanDerWaalsContact O-N 3.1Å; P73-L75 PolarHBondContact O-N 3.32Å; P73-R77 WeakPolarHBondContact O-CB 3.22Å; P73-R77 WeakPolarHBondContact O-CG 3.47Å; P73-R77 PolarHBondContact O-N 2.79Å
74C93.4Very high94.1Very high109 Ų10968.2 Ų68.274%0.73634%0.337SS*.Hα-helixtrans-68.2-11.8178.9-57.20000114.2F72 P78F72-C74 VanDerWaalsContact C-N 3.26Å; F72-C74 PolarHBondContact O-N 3.22Å; C74-P78 WeakPolarHBondContact O-CG 3.38Å
75L91.7Very high94.3Very high126 Ų12663.6 Ų63.666%0.6631%0.314SS*.Hα-helixtrans-107.5-44.3175.1-61.3178.3000110.8F72 P73 P78 C79F72-L75 HydrophobicContact CB-CB 4.34Å; F72-L75 HydrophobicContact CB-CD1 4.31Å; F72-L75 PolarHBondContact O-N 3.13Å; P73-L75 PolarHBondContact O-N 3.32Å; L75-P78 WeakPolarHBondContact O-CD 3.44Å; L75-C79 PolarHBondContact O-N 3.33Å
76T92.8Very high94.6Very high15 Ų1561.2 Ų61.29%0.09230%0.301CS..Hα-helixtrans-66.8-47.5-176.3-52.80000111.6L65 T68 D69 F72 C79 I80L65-T76 HydrophobicContact CD1-CG2 3.79Å; T68-T76 VanDerWaalsContact C-OG1 3.3Å; T68-T76 PolarHBondContact O-OG1 3.26Å; D69-T76 HydrophobicContact CB-CG2 4.05Å; F72-T76 PolarHBondContact O-N 2.86Å; F72-T76 PolarHBondContact O-OG1 2.88Å; F72-T76 VanDerWaalsContact O-OG1 3.05Å; T76-C79 WeakPolarHBondContact O-CB 3.33Å; T76-C79 PolarHBondContact O-N 2.95Å; T76-C79 VanDerWaalsContact O-N 3.14Å; T76-I80 HydrophobicContact CG2-CD1 3.83Å; T76-I80 HydrophobicContact CG2-CG1 4.36Å; T76-I80 WeakPolarHBondContact O-CG1 3.46Å; T76-I80 PolarHBondContact O-N 3.16Å
77R94.5Very high94.7Very high54 Ų5456.5 Ų56.520%0.20428%0.283CS..Hα-helixtrans-67.6-42.1-175.7-58.7179.4-171.8-172.6-10113.9M53 S54 D69 P73 C79 I80 Y81M53-R77 WeakPolarHBondContact O-CD 3.26Å; S54-R77 PolarHBondContact O-NH1 3.11Å; D69-R77 WeakPolarHBondContact OD1-CG 3.43Å; D69-R77 IonicContact OD1-CZ 2.72Å; D69-R77 IonicContact OD1-NE 3.96Å; D69-R77 PolarHBondContact OD1-NE 3.17Å; D69-R77 IonicContact OD1-NH2 2.73Å; D69-R77 IonicContact OD2-CZ 3.89Å; D69-R77 IonicContact OD2-NE 3.6Å; D69-R77 IonicContact OD2-NH2 3.38Å; D69-R77 PolarHBondContact OD2-NH2 2.94Å; P73-R77 WeakPolarHBondContact O-CB 3.22Å; P73-R77 WeakPolarHBondContact O-CG 3.47Å; P73-R77 PolarHBondContact O-N 2.79Å; R77-C79 PolarHBondContact O-N 2.97Å; R77-I80 PolarHBondContact O-N 2.86Å; R77-Y81 WeakPolarHBondContact O-CB 3.39Å; R77-Y81 PolarHBondContact O-N 2.96Å
78P94.4Very high94.7Very high51 Ų5158.5 Ų58.533%0.33129%0.291SS..Hα-helixtrans-59.8-35.6170.5-24.934.4000113M53 C74 L75 R82M53-P78 HydrophobicContact CE-CB 3.92Å; M53-P78 HydrophobicContact CE-CG 3.7Å; C74-P78 WeakPolarHBondContact O-CG 3.38Å; L75-P78 WeakPolarHBondContact O-CD 3.44Å; P78-R82 WeakPolarHBondContact O-CB 3.41Å; P78-R82 PolarHBondContact O-N 3.36Å
79C93.5Very high94.8Very high42 Ų4257.2 Ų57.228%0.28428%0.284SS..Hα-helixtrans-67.3-46.5176.1-1680000111.6L75 T76 R77 R82 W83L75-C79 PolarHBondContact O-N 3.33Å; T76-C79 WeakPolarHBondContact O-CB 3.33Å; T76-C79 PolarHBondContact O-N 2.95Å; T76-C79 VanDerWaalsContact O-N 3.14Å; R77-C79 PolarHBondContact O-N 2.97Å; C79-R82 WeakPolarHBondContact O-CB 3.17Å; C79-R82 PolarHBondContact O-N 2.91Å; C79-W83 VanDerWaalsContact O-CD1 3.27Å; C79-W83 PolarHBondContact O-N 3.12Å
80I94.2Very high94.8Very high12 Ų1259 Ų596%0.06230%0.295CS..Hα-helixtrans-59.8-53175.8-66.3169.9000110V57 L65 T76 R77 R82 W83 S84 I122V57-I80 HydrophobicContact CB-CD1 4.43Å; V57-I80 HydrophobicContact CG1-CD1 4.18Å; V57-I80 HydrophobicContact CG2-CD1 3.35Å; L65-I80 HydrophobicContact CD1-CD1 4Å; L65-I80 HydrophobicContact CD1-CG1 4.18Å; L65-I80 HydrophobicContact CD2-CD1 3.94Å; L65-I80 HydrophobicContact CD2-CG1 4.26Å; L65-I80 HydrophobicContact CG-CD1 4.03Å; T76-I80 HydrophobicContact CG2-CD1 3.83Å; T76-I80 HydrophobicContact CG2-CG1 4.36Å; T76-I80 WeakPolarHBondContact O-CG1 3.46Å; T76-I80 PolarHBondContact O-N 3.16Å; R77-I80 PolarHBondContact O-N 2.86Å; I80-R82 PolarHBondContact O-N 3.2Å; I80-R82 VanDerWaalsContact O-N 3.14Å; I80-W83 CarbonylContact O-C 3.59Å; I80-W83 PolarHBondContact O-N 3.09Å; I80-S84 WeakPolarHBondContact CG2-OG 3.23Å; I80-S84 WeakPolarHBondContact O-CB 3.34Å; I80-S84 PolarHBondContact O-N 3.18Å; I80-S84 PolarHBondContact O-OG 2.92Å; I80-S84 VanDerWaalsContact O-OG 3.09Å; I80-I122 HydrophobicContact CG2-CD1 4.46Å; I80-I122 HydrophobicContact CG2-CG1 4.17Å; I80-I122 HydrophobicContact CG2-CG2 4.03Å
81Y95.2Very high95Very high80 Ų8048.8 Ų48.831%0.31426%0.257SS..Hα-helixtrans-50.5-44.5177.7178.4-90.8000112.1L51 M53 R77 W83 T85 I122L51-Y81 HydrophobicContact CB-CD2 3.75Å; L51-Y81 HydrophobicContact CB-CE2 3.9Å; L51-Y81 WeakPolarHBondContact O-CE2 3.02Å; M53-Y81 HydrophobicContact CG-CD1 4.35Å; M53-Y81 HydrophobicContact CG-CD2 3.45Å; M53-Y81 VanDerWaalsContact CG-CD2 3.45Å; M53-Y81 HydrophobicContact CG-CE2 4.15Å; M53-Y81 HydrophobicContact CG-CG 3.59Å; M53-Y81 HydrophobicContact SD-CD1 4.02Å; M53-Y81 HydrophobicContact SD-CD2 4.12Å; M53-Y81 HydrophobicContact SD-CE1 4.44Å; M53-Y81 HydrophobicContact SD-CG 3.86Å; R77-Y81 WeakPolarHBondContact O-CB 3.39Å; R77-Y81 PolarHBondContact O-N 2.96Å; Y81-W83 VanDerWaalsContact C-N 3.3Å; Y81-W83 PolarHBondContact O-N 3.28Å; Y81-T85 WeakPolarHBondContact O-CB 3.38Å; Y81-T85 PolarHBondContact O-N 3.15Å; Y81-T85 PolarHBondContact O-OG1 2.91Å; Y81-T85 VanDerWaalsContact O-OG1 3.05Å; Y81-I122 HydrophobicContact CD2-CD1 4.38Å
82R94.3Very high95Very high67 Ų6749.2 Ų49.225%0.25325%0.251SS..Hα-helixtrans-64.3-31-179.3-175.8177.768.7156.9-12.2114.2P78 C79 I80 P263 Q265 N266 L267P78-R82 WeakPolarHBondContact O-CB 3.41Å; P78-R82 PolarHBondContact O-N 3.36Å; C79-R82 WeakPolarHBondContact O-CB 3.17Å; C79-R82 PolarHBondContact O-N 2.91Å; I80-R82 PolarHBondContact O-N 3.2Å; I80-R82 VanDerWaalsContact O-N 3.14Å; R82-P263 PolarHBondContact NH1-O 3.3Å; R82-P263 PolarHBondContact NH2-O 2.73Å; R82-Q265 VanDerWaalsContact CD-O 3.23Å; R82-Q265 WeakPolarHBondContact CD-O 3.15Å; R82-Q265 PolarHBondContact NE-O 3.3Å; R82-Q265 PolarHBondContact NH1-O 2.88Å; R82-N266 HydrophobicContact CG-CB 3.23Å; R82-N266 WeakPolarHBondContact O-CB 3.39Å; R82-L267 PolarHBondContact O-N 2.95Å
83W95.4Very high95Very high3 Ų348.9 Ų48.91%0.01125%0.247CC..Hα-helixtrans-102.3-20.1-177.5-71.3108.1000113.3C79 I80 Y81 E254 Y258 I259 Q265 L267 M270C79-W83 VanDerWaalsContact O-CD1 3.27Å; C79-W83 PolarHBondContact O-N 3.12Å; I80-W83 CarbonylContact O-C 3.59Å; I80-W83 PolarHBondContact O-N 3.09Å; Y81-W83 VanDerWaalsContact C-N 3.3Å; Y81-W83 PolarHBondContact O-N 3.28Å; W83-E254 HydrophobicContact CB-CG 4.18Å; W83-E254 HydrophobicContact CD2-CB 4.46Å; W83-E254 HydrophobicContact CD2-CG 4.11Å; W83-E254 HydrophobicContact CE3-CB 3.69Å; W83-E254 HydrophobicContact CE3-CG 3.72Å; W83-E254 HydrophobicContact CG-CG 4.32Å; W83-E254 HydrophobicContact CZ3-CB 3.91Å; W83-E254 HydrophobicContact CZ3-CG 4.44Å; W83-Y258 AromaticContact CH2-CD1 3.91Å; W83-Y258 HydrophobicContact CH2-CD1 3.91Å; W83-Y258 AromaticContact CH2-CE1 3.88Å; W83-Y258 HydrophobicContact CH2-CE1 3.88Å; W83-Y258 HydrophobicContact CZ3-CD1 4.24Å; W83-Y258 HydrophobicContact CZ3-CE1 4.25Å; W83-I259 HydrophobicContact CD2-CG1 3.99Å; W83-I259 HydrophobicContact CG-CD1 4.36Å; W83-I259 HydrophobicContact CG-CG1 4.18Å; W83-I259 HydrophobicContact CZ2-CG1 4.33Å; W83-Q265 HydrophobicContact CH2-CB 4.19Å; W83-Q265 HydrophobicContact CZ2-CB 4.37Å; W83-L267 HydrophobicContact CE3-CB 4.27Å; W83-L267 HydrophobicContact CE3-CD1 4.45Å; W83-M270 HydrophobicContact CZ3-CE 4.37Å; W83-M270 HydrophobicContact CZ3-SD 4.34Å
84S95.3Very high95.3Very high10 Ų1046.7 Ų46.77%0.0723%0.233CC..Hα-helixtrans-96.4-12.5179.8-53.10000114.5I80 T86 H120I80-S84 WeakPolarHBondContact CG2-OG 3.23Å; I80-S84 WeakPolarHBondContact O-CB 3.34Å; I80-S84 PolarHBondContact O-N 3.18Å; I80-S84 PolarHBondContact O-OG 2.92Å; I80-S84 VanDerWaalsContact O-OG 3.09Å; S84-T86 PolarHBondContact O-N 2.67Å; S84-H120 VanDerWaalsContact CB-O 3.24Å; S84-H120 WeakPolarHBondContact CB-O 3.37Å; S84-H120 PolarHBondContact O-ND1 3.25Å
85T96.8Very high95.5Very high15 Ų1541.5 Ų41.59%0.09220%0.198CC..  trans-75114.4173.2-67.80000110.4S48 Y81 Q87 L267 F301S48-T85 PolarHBondContact O-OG1 3.4Å; Y81-T85 WeakPolarHBondContact O-CB 3.38Å; Y81-T85 PolarHBondContact O-N 3.15Å; Y81-T85 PolarHBondContact O-OG1 2.91Å; Y81-T85 VanDerWaalsContact O-OG1 3.05Å; T85-Q87 WeakPolarHBondContact CG2-O 3.45Å; T85-L267 WeakPolarHBondContact O-CD2 3.47Å; T85-F301 WeakPolarHBondContact O-CZ 3.14Å
86T97.1Very high95.8Very high0 Ų037.4 Ų37.40%018%0.175CC..  trans-106.6-20.6179.164.60000113.3H44 D45 S48 S84 L267 D300 F301H44-T86 PolarHBondContact O-OG1 3.34Å; D45-T86 HydrophobicContact CB-CG2 3.96Å; D45-T86 WeakPolarHBondContact CB-OG1 3.4Å; D45-T86 PolarHBondContact O-OG1 3.38Å; D45-T86 VanDerWaalsContact O-OG1 3.08Å; S48-T86 WeakPolarHBondContact OG-CA 3.18Å; S48-T86 PolarHBondContact OG-N 2.94Å; S48-T86 PolarHBondContact OG-OG1 3.29Å; S84-T86 PolarHBondContact O-N 2.67Å; T86-L267 HydrophobicContact CG2-CD2 3.63Å; T86-D300 VanDerWaalsContact CB-OD1 3.28Å; T86-D300 WeakPolarHBondContact CB-OD1 3.28Å; T86-D300 CarbonylContact O-C 3.59Å; T86-F301 WeakPolarHBondContact O-CD1 3.28Å; T86-F301 PolarHBondContact O-N 3.03Å
87Q97.6Very high96Very high0 Ų037.5 Ų37.50%018%0.175CC..  trans-127.4161.4178.5-56.2-55.5-28.200111.1H44 S48 F49 T85 C299H44-Q87 PolarHBondContact O-NE2 2.74Å; S48-Q87 PolarHBondContact OG-N 3.4Å; F49-Q87 WeakPolarHBondContact CA-O 3.39Å; F49-Q87 HydrophobicContact CB-CB 4.3Å; F49-Q87 WeakPolarHBondContact CB-O 3.36Å; T85-Q87 WeakPolarHBondContact CG2-O 3.45Å; Q87-C299 PolarHBondContact NE2-O 3.07Å; Q87-C299 VanDerWaalsContact NE2-O 3.14Å
88Q95.4Very high96.1Very high102 Ų10234.9 Ų34.948%0.47717%0.165SC..  trans-127.611178.4-65.1-166-48.700113.5F301 F304Q88-F301 HydrophobicContact CG-CD1 4.09Å; Q88-F301 HydrophobicContact CG-CE1 4.28Å; Q88-F304 HydrophobicContact CB-CE2 4.17Å; Q88-F304 HydrophobicContact CG-CE2 4.26Å
89S95.3Very high96.3Very high18 Ų1832.5 Ų32.513%0.12615%0.15CC..SBendtrans-141148.9-174.755.30000112F49 Y93 Q94F49-S89 WeakPolarHBondContact CD1-O 3.29Å; F49-S89 WeakPolarHBondContact CG-O 3.44Å; S89-Y93 VanDerWaalsContact CB-CD1 3.5Å; S89-Q94 PolarHBondContact O-NE2 2.72Å; S89-Q94 WeakPolarHBondContact OG-CG 3.34Å
90V95.9Very high96.6Very high51 Ų5130.5 Ų30.531%0.30914%0.136SC..  trans-60.5159.3172.7-63.60000112.1F49 W92 Y93 Q94F49-V90 HydrophobicContact CD2-CG1 4.32Å; F49-V90 HydrophobicContact CE1-CG1 4.46Å; F49-V90 HydrophobicContact CE2-CB 4.29Å; F49-V90 HydrophobicContact CE2-CG1 3.43Å; F49-V90 VanDerWaalsContact CE2-CG1 3.43Å; F49-V90 HydrophobicContact CZ-CB 4.04Å; F49-V90 HydrophobicContact CZ-CG1 3.53Å; V90-W92 VanDerWaalsContact C-N 3.3Å; V90-W92 HydrophobicContact CG2-CB 4.23Å; V90-W92 PolarHBondContact O-N 2.82Å; V90-Y93 PolarHBondContact O-N 2.9Å; V90-Y93 VanDerWaalsContact O-N 3.1Å; V90-Q94 WeakPolarHBondContact O-CG 3.46Å; V90-Q94 PolarHBondContact O-N 2.96Å; V90-Q94 VanDerWaalsContact O-N 3.07Å
91L97.4Very high96.8Very high1 Ų130 Ų301%0.00513%0.133CC..Hα-helixtrans-55.4-43.7-178.9-63.3-175.6000112.5M47 Y93 Q94 C95 L102 A131 L135M47-L91 HydrophobicContact CG-CD2 4.44Å; M47-L91 HydrophobicContact SD-CD1 3.64Å; M47-L91 HydrophobicContact SD-CD2 3.52Å; M47-L91 VanDerWaalsContact SD-CD2 3.52Å; M47-L91 HydrophobicContact SD-CG 3.41Å; M47-L91 WeakPolarHBondContact SD-CG 3.45Å; L91-Y93 VanDerWaalsContact C-N 3.27Å; L91-Y93 PolarHBondContact O-N 3.33Å; L91-Q94 WeakPolarHBondContact O-CB 3.36Å; L91-Q94 PolarHBondContact O-N 3.4Å; L91-Q94 VanDerWaalsContact O-N 3.09Å; L91-C95 PolarHBondContact O-N 3.47Å; L91-C95 PolarHBondContact O-SG 2.97Å; L91-C95 VanDerWaalsContact O-SG 3.4Å; L91-L102 HydrophobicContact CD1-CD1 4.28Å; L91-L102 HydrophobicContact CD2-CD1 4.19Å; L91-L102 HydrophobicContact CD2-CD2 3.95Å; L91-A131 HydrophobicContact CD1-CB 4.14Å; L91-L135 HydrophobicContact CD1-CD2 4.31Å
92W95.9Very high97Very high115 Ų11526.2 Ų26.244%0.43612%0.119SC..Hα-helixtrans-49.6-49.6176.2-178.5101.4000111.6V90 C95 E96 W138V90-W92 VanDerWaalsContact C-N 3.3Å; V90-W92 HydrophobicContact CG2-CB 4.23Å; V90-W92 PolarHBondContact O-N 2.82Å; W92-C95 WeakPolarHBondContact O-CB 3.34Å; W92-C95 PolarHBondContact O-N 3.39Å; W92-E96 HydrophobicContact CD2-CG 4.15Å; W92-E96 HydrophobicContact CE3-CG 3.71Å; W92-E96 HydrophobicContact CH2-CG 3.2Å; W92-E96 HydrophobicContact CZ2-CG 3.7Å; W92-E96 HydrophobicContact CZ3-CB 4.33Å; W92-E96 HydrophobicContact CZ3-CG 3.23Å; W92-E96 PolarHBondContact O-N 3.11Å; W92-W138 AromaticContact CD1-CD1 3.54Å; W92-W138 AromaticContact CE2-CD1 4Å; W92-W138 AromaticContact NE1-CD1 3.52Å
93Y96.5Very high97.2Very high109 Ų10923.1 Ų23.143%0.42711%0.107SC..Hα-helixtrans-73.7-32.8-177.8-172.5-100.7000112.1S89 V90 L91 C95 E96 L97S89-Y93 VanDerWaalsContact CB-CD1 3.5Å; V90-Y93 PolarHBondContact O-N 2.9Å; V90-Y93 VanDerWaalsContact O-N 3.1Å; L91-Y93 VanDerWaalsContact C-N 3.27Å; L91-Y93 PolarHBondContact O-N 3.33Å; Y93-C95 VanDerWaalsContact C-N 3.26Å; Y93-C95 PolarHBondContact O-N 3.46Å; Y93-E96 WeakPolarHBondContact O-CB 3.43Å; Y93-E96 PolarHBondContact O-N 3.32Å; Y93-L97 HydrophobicContact CD1-CD1 3.94Å; Y93-L97 HydrophobicContact CD1-CG 4.24Å; Y93-L97 HydrophobicContact CE1-CD1 3.76Å; Y93-L97 HydrophobicContact CE1-CD2 4.14Å; Y93-L97 HydrophobicContact CE1-CG 3.99Å; Y93-L97 WeakPolarHBondContact O-CG 3.35Å; Y93-L97 PolarHBondContact O-N 3.05Å; Y93-L97 VanDerWaalsContact O-N 3.1Å
94Q97.9Very high97.4Very high0 Ų023 Ų230%011%0.107CC..Hα-helixtrans-59.8-41.5171-65178.740.600110.6S43 S46 S89 V90 L91 L97 G98 I99 V302S43-Q94 PolarHBondContact OG-OE1 3.16Å; S46-Q94 PolarHBondContact O-NE2 3.01Å; S89-Q94 PolarHBondContact O-NE2 2.72Å; S89-Q94 WeakPolarHBondContact OG-CG 3.34Å; V90-Q94 WeakPolarHBondContact O-CG 3.46Å; V90-Q94 PolarHBondContact O-N 2.96Å; V90-Q94 VanDerWaalsContact O-N 3.07Å; L91-Q94 WeakPolarHBondContact O-CB 3.36Å; L91-Q94 PolarHBondContact O-N 3.4Å; L91-Q94 VanDerWaalsContact O-N 3.09Å; Q94-L97 WeakPolarHBondContact O-CB 3.34Å; Q94-L97 PolarHBondContact O-N 3.39Å; Q94-G98 PolarHBondContact O-N 2.51Å; Q94-I99 HydrophobicContact CB-CB 4.17Å; Q94-I99 HydrophobicContact CB-CG1 4.09Å; Q94-I99 WeakPolarHBondContact O-CB 3.48Å; Q94-I99 VanDerWaalsContact O-CG1 3.22Å; Q94-I99 WeakPolarHBondContact O-CG1 3.28Å; Q94-I99 PolarHBondContact O-N 3.46Å; Q94-V302 HydrophobicContact CG-CG2 4.18Å
95C98.1Very high97.5Very high0 Ų024.6 Ų24.60%011%0.111CC..Hα-helixtrans-66.2-37.6176.1-66.50000112.8L91 W92 Y93 L97 G98 R100 W138L91-C95 PolarHBondContact O-N 3.47Å; L91-C95 PolarHBondContact O-SG 2.97Å; L91-C95 VanDerWaalsContact O-SG 3.4Å; W92-C95 WeakPolarHBondContact O-CB 3.34Å; W92-C95 PolarHBondContact O-N 3.39Å; Y93-C95 VanDerWaalsContact C-N 3.26Å; Y93-C95 PolarHBondContact O-N 3.46Å; C95-L97 VanDerWaalsContact C-N 3.3Å; C95-L97 PolarHBondContact O-N 3.47Å; C95-G98 WeakPolarHBondContact O-CA 3.28Å; C95-G98 PolarHBondContact O-N 3.39Å; C95-R100 PolarHBondContact O-NH1 3.19Å; C95-W138 HydrophobicContact CB-CD2 3.7Å; C95-W138 VanDerWaalsContact CB-CE2 3.43Å; C95-W138 HydrophobicContact CB-CE3 4.06Å; C95-W138 HydrophobicContact CB-CG 4.3Å; C95-W138 HydrophobicContact CB-CH2 4.04Å; C95-W138 HydrophobicContact CB-CZ2 3.64Å; C95-W138 HydrophobicContact CB-CZ3 4.22Å
96E97.4Very high97.6Very high41 Ų4123.9 Ų23.919%0.19211%0.107CC..Hα-helixtrans-58.9-39.7171.5-72.3-53.9114.700113N19 S20 W92 Y93 G98 W138 H142N19-E96 CarbonylContact C-O 3.44Å; S20-E96 VanDerWaalsContact CB-OE2 3.29Å; S20-E96 WeakPolarHBondContact CB-OE2 3.22Å; S20-E96 PolarHBondContact N-O 3.02Å; S20-E96 VanDerWaalsContact N-O 3.12Å; W92-E96 HydrophobicContact CD2-CG 4.15Å; W92-E96 HydrophobicContact CE3-CG 3.71Å; W92-E96 HydrophobicContact CH2-CG 3.2Å; W92-E96 HydrophobicContact CZ2-CG 3.7Å; W92-E96 HydrophobicContact CZ3-CB 4.33Å; W92-E96 HydrophobicContact CZ3-CG 3.23Å; W92-E96 PolarHBondContact O-N 3.11Å; Y93-E96 WeakPolarHBondContact O-CB 3.43Å; Y93-E96 PolarHBondContact O-N 3.32Å; E96-G98 PolarHBondContact O-N 3.43Å; E96-W138 PolarHBondContact OE1-NE1 3Å; E96-H142 IonicContact OE1-CE1 3Å; E96-H142 IonicContact OE1-NE2 3.86Å; E96-H142 PolarHBondContact OE1-NE2 3.32Å
97L97.1Very high97.6Very high16 Ų1623.9 Ų23.98%0.08411%0.107CC..THydrogen-bonded Turntrans-67.1-15.3175.8-65.9170.6000112.6N19 Y93 Q94 C95 V302 C308N19-L97 WeakPolarHBondContact CB-O 3.39Å; N19-L97 PolarHBondContact ND2-O 3.45Å; N19-L97 VanDerWaalsContact ND2-O 3.16Å; Y93-L97 HydrophobicContact CD1-CD1 3.94Å; Y93-L97 HydrophobicContact CD1-CG 4.24Å; Y93-L97 HydrophobicContact CE1-CD1 3.76Å; Y93-L97 HydrophobicContact CE1-CD2 4.14Å; Y93-L97 HydrophobicContact CE1-CG 3.99Å; Y93-L97 WeakPolarHBondContact O-CG 3.35Å; Y93-L97 PolarHBondContact O-N 3.05Å; Y93-L97 VanDerWaalsContact O-N 3.1Å; Q94-L97 WeakPolarHBondContact O-CB 3.34Å; Q94-L97 PolarHBondContact O-N 3.39Å; C95-L97 VanDerWaalsContact C-N 3.3Å; C95-L97 PolarHBondContact O-N 3.47Å; L97-V302 HydrophobicContact CD1-CG2 4.12Å; L97-C308 WeakPolarHBondContact O-CB 3.36Å; L97-C308 PolarHBondContact O-SG 3.48Å; L97-C308 VanDerWaalsContact O-SG 3.41Å
98G98.2Very high97.5Very high0 Ų027.1 Ų27.10%012%0.119CC..THydrogen-bonded Turntrans115.70.3176.600000114.8W22 P41 Q94 C95 E96 R100W22-G98 PolarHBondContact NE1-O 3.44Å; P41-G98 WeakPolarHBondContact CG-O 3.47Å; Q94-G98 PolarHBondContact O-N 2.51Å; C95-G98 WeakPolarHBondContact O-CA 3.28Å; C95-G98 PolarHBondContact O-N 3.39Å; E96-G98 PolarHBondContact O-N 3.43Å; G98-R100 PolarHBondContact O-N 3.31Å
99I98.6Very high97.3Very high0 Ų023.8 Ų23.80%010%0.103CC..  trans-62.2133.3-178.8-60.9-68.5000110.9P41 Q94 Y101 L102 V302 F307P41-I99 HydrophobicContact CB-CD1 4.18Å; Q94-I99 HydrophobicContact CB-CB 4.17Å; Q94-I99 HydrophobicContact CB-CG1 4.09Å; Q94-I99 WeakPolarHBondContact O-CB 3.48Å; Q94-I99 VanDerWaalsContact O-CG1 3.22Å; Q94-I99 WeakPolarHBondContact O-CG1 3.28Å; Q94-I99 PolarHBondContact O-N 3.46Å; I99-Y101 VanDerWaalsContact CG2-O 3.26Å; I99-Y101 WeakPolarHBondContact CG2-O 3.48Å; I99-L102 HydrophobicContact CG2-CD2 3.66Å; I99-V302 HydrophobicContact CD1-CB 4Å; I99-V302 HydrophobicContact CD1-CG1 3.75Å; I99-V302 HydrophobicContact CD1-CG2 4.19Å; I99-V302 HydrophobicContact CG1-CB 4.36Å; I99-V302 HydrophobicContact CG1-CG1 4.47Å; I99-V302 HydrophobicContact CG1-CG2 4.02Å; I99-F307 HydrophobicContact CD1-CE1 4.31Å
100R98.8Very high96.8Very high0 Ų027 Ų270%012%0.123CC..  trans-132.1-0.7177.8-62.9-66.2177.5-90.1-3.6113.4S20 W22 M23 I40 P41 C95 G98 E145 V146 I147 I148S20-R100 PolarHBondContact O-NH2 3.19Å; W22-R100 HydrophobicContact CZ2-CG 3.91Å; M23-R100 HydrophobicContact CE-CB 3.92Å; M23-R100 HydrophobicContact CE-CG 3.7Å; M23-R100 HydrophobicContact SD-CG 4.22Å; I40-R100 HydrophobicContact CG2-CB 3.7Å; P41-R100 PolarHBondContact O-N 3Å; C95-R100 PolarHBondContact O-NH1 3.19Å; G98-R100 PolarHBondContact O-N 3.31Å; R100-E145 IonicContact CZ-OE2 3.66Å; R100-E145 VanDerWaalsContact CZ-OE2 3.24Å; R100-E145 IonicContact NE-OE2 3.05Å; R100-E145 PolarHBondContact NE-OE2 3.35Å; R100-E145 IonicContact NH2-OE2 3.53Å; R100-E145 PolarHBondContact NH2-OE2 3.04Å; R100-V146 WeakPolarHBondContact CD-O 3.47Å; R100-I147 CarbonylContact O-C 3.58Å; R100-I147 WeakPolarHBondContact O-CA 3.14Å; R100-I148 PolarHBondContact O-N 2.97Å
101Y98.9Very high95.9Very high2 Ų229.5 Ų29.51%0.00815%0.15CC..EExtended strand (participates in β ladder)trans-119.8127.8166.6173.6-85.1000109.6P41 G42 S43 I99 D103 I148 S150 I216 Y218 V247 I296 C298P41-Y101 PolarHBondContact O-N 3.12Å; G42-Y101 CarbonylContact C-O 3.58Å; G42-Y101 WeakPolarHBondContact CA-O 3.5Å; S43-Y101 PolarHBondContact N-O 3.45Å; I99-Y101 VanDerWaalsContact CG2-O 3.26Å; I99-Y101 WeakPolarHBondContact CG2-O 3.48Å; Y101-D103 HydrophobicContact CE1-CB 4.1Å; Y101-I148 WeakPolarHBondContact CA-O 3.36Å; Y101-I148 HydrophobicContact CD2-CB 3.89Å; Y101-I148 HydrophobicContact CD2-CG2 3.63Å; Y101-I148 HydrophobicContact CE2-CG2 4.07Å; Y101-S150 WeakPolarHBondContact OH-CB 3.41Å; Y101-S150 PolarHBondContact OH-OG 2.94Å; Y101-I216 HydrophobicContact CE2-CD1 3.96Å; Y101-I216 HydrophobicContact CE2-CG2 4.43Å; Y101-Y218 HydrophobicContact CE1-CE2 4.35Å; Y101-V247 HydrophobicContact CD1-CG2 4.43Å; Y101-V247 HydrophobicContact CD2-CG2 4.38Å; Y101-V247 HydrophobicContact CE1-CG2 3.85Å; Y101-V247 HydrophobicContact CE2-CG2 3.81Å; Y101-I296 HydrophobicContact CD1-CG2 3.93Å; Y101-I296 HydrophobicContact CD2-CD1 3.64Å; Y101-I296 HydrophobicContact CD2-CG1 4.34Å; Y101-I296 HydrophobicContact CD2-CG2 4.11Å; Y101-I296 HydrophobicContact CE2-CD1 4.13Å; Y101-I296 HydrophobicContact CG-CD1 4.28Å; Y101-I296 HydrophobicContact CG-CG2 3.61Å; Y101-C298 WeakPolarHBondContact CD1-SG 3.4Å
102L98.9Very high94.5Very high0 Ų030.4 Ų30.40%016%0.159CC..EExtended strand (participates in β ladder)trans-120.9113-177.8-60.1174.4000109.5S46 L91 I99 L104 L135 I148 S150S46-L102 WeakPolarHBondContact OG-CA 3.22Å; L91-L102 HydrophobicContact CD1-CD1 4.28Å; L91-L102 HydrophobicContact CD2-CD1 4.19Å; L91-L102 HydrophobicContact CD2-CD2 3.95Å; I99-L102 HydrophobicContact CG2-CD2 3.66Å; L102-L104 HydrophobicContact CB-CD2 4.27Å; L102-L104 HydrophobicContact CB-CG 4.39Å; L102-L104 PolarHBondContact O-N 3.09Å; L102-L135 HydrophobicContact CD1-CD1 4.1Å; L102-L135 HydrophobicContact CD1-CD2 3.64Å; L102-I148 PolarHBondContact N-O 2.79Å; L102-S150 PolarHBondContact O-N 2.72Å
103D98.8Very high93.8Very high3 Ų327.4 Ų27.42%0.01616%0.164CC..EExtended strand (participates in β ladder)trans-78.4111.5168.6-178.315.7000109.5S43 H44 D45 S46 Y101 R105S43-D103 WeakPolarHBondContact O-CB 3.3Å; S43-D103 PolarHBondContact O-N 3.14Å; H44-D103 IonicContact CD2-OD2 3.86Å; D45-D103 PolarHBondContact N-OD2 3.38Å; S46-D103 WeakPolarHBondContact CB-O 3.17Å; S46-D103 PolarHBondContact N-O 2.92Å; S46-D103 PolarHBondContact OG-N 3.1Å; S46-D103 PolarHBondContact OG-O 3.13Å; Y101-D103 HydrophobicContact CE1-CB 4.1Å; D103-R105 IonicContact OD2-CZ 3.74Å; D103-R105 IonicContact OD2-NE 3.79Å; D103-R105 IonicContact OD2-NH2 3.2Å; D103-R105 PolarHBondContact OD2-NH2 2.8Å
104L98.7Very high93.2Very high0 Ų026 Ų260%017%0.17CC..EExtended strand (participates in β ladder)trans-116.6101.6-177.7-59.7-169.1000110.3M47 L102 F118 L132 I149 S150 C151 S152M47-L104 HydrophobicContact CG-CD2 3.71Å; L102-L104 HydrophobicContact CB-CD2 4.27Å; L102-L104 HydrophobicContact CB-CG 4.39Å; L102-L104 PolarHBondContact O-N 3.09Å; L104-F118 HydrophobicContact CB-CD1 4.22Å; L104-F118 HydrophobicContact CB-CE1 3.89Å; L104-F118 HydrophobicContact CD1-CE1 3.96Å; L104-F118 HydrophobicContact CD1-CZ 4.44Å; L104-F118 HydrophobicContact CD2-CD1 4.46Å; L104-F118 HydrophobicContact CD2-CE1 3.99Å; L104-F118 HydrophobicContact CG-CE1 4.17Å; L104-L132 HydrophobicContact CD1-CD2 3.99Å; L104-I149 HydrophobicContact CD1-CG2 3.5Å; L104-I149 HydrophobicContact CG-CG2 4.21Å; L104-S150 WeakPolarHBondContact CA-O 3.47Å; L104-S150 WeakPolarHBondContact CB-O 3.07Å; L104-S150 PolarHBondContact N-O 3.25Å; L104-C151 WeakPolarHBondContact O-CA 3.4Å; L104-S152 PolarHBondContact O-N 2.93Å
105R98.4Very high93Very high43 Ų4328.9 Ų28.916%0.16219%0.19CC..EExtended strand (participates in β ladder)trans-88.4113.7174.8-59.8-163.6-174.1148.216.7110.8H44 D45 D103 F118 A119 S152 H153H44-R105 PolarHBondContact CD2-NH2 3.07Å; H44-R105 PolarHBondContact NE2-NH2 3.14Å; D45-R105 WeakPolarHBondContact OD1-CD 3.49Å; D45-R105 WeakPolarHBondContact OD1-CG 3.31Å; D45-R105 IonicContact OD1-CZ 2.92Å; D45-R105 IonicContact OD1-NE 3.39Å; D45-R105 PolarHBondContact OD1-NE 2.97Å; D45-R105 IonicContact OD1-NH1 2.74Å; D45-R105 PolarHBondContact OD1-NH1 2.79Å; D45-R105 IonicContact OD1-NH2 3.57Å; D45-R105 IonicContact OD2-CZ 2.67Å; D45-R105 IonicContact OD2-NE 3.69Å; D45-R105 IonicContact OD2-NH1 3.71Å; D45-R105 PolarHBondContact OD2-NH1 3.08Å; D45-R105 IonicContact OD2-NH2 3.4Å; D45-R105 PolarHBondContact OD2-NH2 3.12Å; D45-R105 VanDerWaalsContact OD2-NH2 3.15Å; D103-R105 IonicContact OD2-CZ 3.74Å; D103-R105 IonicContact OD2-NE 3.79Å; D103-R105 IonicContact OD2-NH2 3.2Å; D103-R105 PolarHBondContact OD2-NH2 2.8Å; R105-F118 CarbonylContact O-C 3.59Å; R105-F118 WeakPolarHBondContact O-CA 3.23Å; R105-F118 WeakPolarHBondContact O-CB 3.37Å; R105-A119 WeakPolarHBondContact CB-O 3.37Å; R105-A119 PolarHBondContact O-N 2.91Å; R105-S152 WeakPolarHBondContact CA-O 3.42Å; R105-H153 HydrophobicContact CB-CB 4.03Å; R105-H153 HydrophobicContact CG-CB 3.85Å; R105-H153 PolarHBondContact NE-ND1 2.96Å
106I98.5Very high93Very high0 Ų029.8 Ų29.80%020%0.195CC..EExtended strand (participates in β ladder)trans-106.5134.9-166.7-64174.9000110.8L116 F117 F118 V128 C151 S152 F154 E155 L157 L165I106-L116 HydrophobicContact CG2-CB 4.2Å; I106-L116 HydrophobicContact CG2-CD1 4.25Å; I106-F117 WeakPolarHBondContact CA-O 3.3Å; I106-F118 HydrophobicContact CG1-CD1 4.02Å; I106-F118 HydrophobicContact CG1-CE1 4.06Å; I106-V128 HydrophobicContact CD1-CG1 4.31Å; I106-V128 HydrophobicContact CD1-CG2 4.35Å; I106-V128 HydrophobicContact CG1-CG2 4.12Å; I106-V128 HydrophobicContact CG2-CG2 3.96Å; I106-C151 HydrophobicContact CD1-CB 3.99Å; I106-S152 PolarHBondContact N-O 3.38Å; I106-S152 VanDerWaalsContact N-O 3.16Å; I106-F154 HydrophobicContact CB-CD1 3.88Å; I106-F154 HydrophobicContact CB-CE1 4.01Å; I106-F154 HydrophobicContact CD1-CE1 4.12Å; I106-F154 HydrophobicContact CG2-CD1 4.29Å; I106-F154 HydrophobicContact CG2-CE1 4.47Å; I106-F154 CarbonylContact O-C 3.53Å; I106-F154 VanDerWaalsContact O-CA 3.24Å; I106-F154 WeakPolarHBondContact O-CA 3.27Å; I106-E155 PolarHBondContact O-N 3.18Å; I106-L157 HydrophobicContact CG2-CD1 4.27Å; I106-L157 HydrophobicContact CG2-CD2 4.15Å; I106-L165 HydrophobicContact CD1-CD2 3.79Å; I106-L165 HydrophobicContact CG2-CD2 4.19Å
107A97.3Very high93Very high1 Ų129 Ų291%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-142.2150.3-176.500000112.1L58 F117 A119 Y123 E155L58-A107 HydrophobicContact CD2-CB 4.2Å; A107-F117 PolarHBondContact N-O 3.41Å; A107-F117 PolarHBondContact O-N 2.96Å; A107-F117 VanDerWaalsContact O-O 3.08Å; A107-A119 HydrophobicContact CB-CB 3.66Å; A107-Y123 HydrophobicContact CB-CD1 4Å; A107-Y123 HydrophobicContact CB-CE1 3.68Å; A107-E155 WeakPolarHBondContact CA-O 3.32Å; A107-E155 HydrophobicContact CB-CB 3.79Å; A107-E155 HydrophobicContact CB-CG 4.38Å
108R95.5Very high93Very high67 Ų6728.4 Ų28.425%0.25319%0.188SC..EExtended strand (participates in β ladder)trans-96.8125169.7-169.3173.8-179.11615.9110.6G113 L116 Y123 E155 S156 L157 D161R108-G113 PolarHBondContact NE-O 2.78Å; R108-G113 PolarHBondContact NH2-O 3.43Å; R108-L116 HydrophobicContact CB-CD2 3.95Å; R108-L116 HydrophobicContact CG-CD2 4.24Å; R108-Y123 WeakPolarHBondContact O-CE1 3.36Å; R108-Y123 PolarHBondContact O-OH 3.41Å; R108-E155 PolarHBondContact N-O 3.4Å; R108-S156 WeakPolarHBondContact CB-O 3.16Å; R108-L157 HydrophobicContact CB-CD1 4.39Å; R108-D161 IonicContact CZ-OD1 3.52Å; R108-D161 IonicContact CZ-OD2 3.78Å; R108-D161 IonicContact NH1-OD1 2.68Å; R108-D161 PolarHBondContact NH1-OD1 3.5Å; R108-D161 IonicContact NH1-OD2 2.75Å; R108-D161 PolarHBondContact NH1-OD2 2.85Å
109K91.6Very high93Very high32 Ų3228.8 Ų28.814%0.13919%0.191CC..  trans-70.2137.6174.1-76.7-178.3-175.1175.10110.2D52 A111 G112 F117 Y123 T124D52-K109 IonicContact OD2-NZ 2.8Å; K109-A111 PolarHBondContact O-N 2.85Å; K109-A111 VanDerWaalsContact O-N 3.16Å; K109-G112 PolarHBondContact O-N 3.16Å; K109-G112 VanDerWaalsContact O-N 3.15Å; K109-F117 HydrophobicContact CB-CD2 4.15Å; K109-F117 HydrophobicContact CB-CE2 4.31Å; K109-F117 HydrophobicContact CD-CD1 4.24Å; K109-F117 HydrophobicContact CD-CD2 3.58Å; K109-F117 HydrophobicContact CD-CE1 4.29Å; K109-F117 HydrophobicContact CD-CE2 3.65Å; K109-F117 HydrophobicContact CD-CG 3.9Å; K109-F117 HydrophobicContact CD-CZ 4.01Å; K109-F117 HydrophobicContact CG-CB 4.5Å; K109-F117 HydrophobicContact CG-CD2 3.62Å; K109-F117 HydrophobicContact CG-CE2 4.06Å; K109-F117 HydrophobicContact CG-CG 4.1Å; K109-Y123 HydrophobicContact CB-CD1 4.41Å; K109-Y123 HydrophobicContact CB-CE1 4.41Å; K109-Y123 HydrophobicContact CD-CD1 4.49Å; K109-Y123 HydrophobicContact CD-CG 4.37Å; K109-Y123 HydrophobicContact CG-CD1 3.4Å; K109-Y123 VanDerWaalsContact CG-CD1 3.4Å; K109-Y123 HydrophobicContact CG-CD2 4.27Å; K109-Y123 HydrophobicContact CG-CE1 3.85Å; K109-Y123 HydrophobicContact CG-CG 3.63Å; K109-T124 VanDerWaalsContact CE-O 3.25Å; K109-T124 WeakPolarHBondContact CE-O 3.31Å; K109-T124 PolarHBondContact NZ-O 3.09Å
110P84.7Confident92.9Very high85 Ų8530.7 Ų30.755%0.55220%0.2SC*.THydrogen-bonded Turntrans-57.9-31.1178.4-26.734.3000114.9P56P56-P110 HydrophobicContact CG-CG 4.46Å
111A76.9Confident92.7Very high104 Ų10430.8 Ų30.886%0.8620%0.201SC*.THydrogen-bonded Turntrans-112.213.2-18000000113.3K109K109-A111 PolarHBondContact O-N 2.85Å; K109-A111 VanDerWaalsContact O-N 3.16Å
112G67.3Low92.5Very high20 Ų2030.7 Ų30.721%0.20620%0.2CC..SBendtrans-9312.4-170.100000116K109 S115K109-G112 PolarHBondContact O-N 3.16Å; K109-G112 VanDerWaalsContact O-N 3.15Å; G112-S115 PolarHBondContact O-N 3Å
113G80.9Confident92.5Very high52 Ų5230.7 Ų30.754%0.53620%0.201SC..THydrogen-bonded Turntrans62.9-136.8-17400000112R108R108-G113 PolarHBondContact NE-O 2.78Å; R108-G113 PolarHBondContact NH2-O 3.43Å
114S84.2Confident92.4Very high80 Ų8030.6 Ų30.656%0.55920%0.2SC*.THydrogen-bonded Turntrans-89.5-1.2175.254.30000113.8
115S94.1Very high92.3Very high60 Ų6035.8 Ų35.842%0.4223%0.227SC..  trans-72.9134.7-179.7-60.70000111.4G112 F117G112-S115 PolarHBondContact O-N 3Å; S115-F117 WeakPolarHBondContact O-CE2 3.39Å
116L97.6Very high92.2Very high19 Ų1935.4 Ų35.410%0.09923%0.228CC..EExtended strand (participates in β ladder)trans-95.3144.1172.3-59.9179.8000110.4I106 R108 S127 V128 L157 D161 L165I106-L116 HydrophobicContact CG2-CB 4.2Å; I106-L116 HydrophobicContact CG2-CD1 4.25Å; R108-L116 HydrophobicContact CB-CD2 3.95Å; R108-L116 HydrophobicContact CG-CD2 4.24Å; L116-S127 WeakPolarHBondContact O-CA 3.46Å; L116-S127 WeakPolarHBondContact O-CB 3.36Å; L116-V128 HydrophobicContact CB-CB 4.27Å; L116-V128 HydrophobicContact CB-CG2 3.82Å; L116-V128 PolarHBondContact O-N 2.65Å; L116-L157 HydrophobicContact CD1-CD2 4.11Å; L116-L157 HydrophobicContact CD2-CD1 4.17Å; L116-L157 HydrophobicContact CD2-CD2 4.39Å; L116-L157 HydrophobicContact CD2-CG 3.97Å; L116-D161 HydrophobicContact CD2-CB 4.45Å; L116-L165 HydrophobicContact CD1-CB 3.88Å; L116-L165 HydrophobicContact CD1-CD1 4.18Å; L116-L165 HydrophobicContact CD1-CD2 3.88Å; L116-L165 HydrophobicContact CD1-CG 4.19Å
117F97.9Very high92.1Very high25 Ų2536.2 Ų36.211%0.1123%0.233CC..EExtended strand (participates in β ladder)trans-127.2175.5179.9-64.5-92.4000109I106 A107 K109 S115 T124I106-F117 WeakPolarHBondContact CA-O 3.3Å; A107-F117 PolarHBondContact N-O 3.41Å; A107-F117 PolarHBondContact O-N 2.96Å; A107-F117 VanDerWaalsContact O-O 3.08Å; K109-F117 HydrophobicContact CB-CD2 4.15Å; K109-F117 HydrophobicContact CB-CE2 4.31Å; K109-F117 HydrophobicContact CD-CD1 4.24Å; K109-F117 HydrophobicContact CD-CD2 3.58Å; K109-F117 HydrophobicContact CD-CE1 4.29Å; K109-F117 HydrophobicContact CD-CE2 3.65Å; K109-F117 HydrophobicContact CD-CG 3.9Å; K109-F117 HydrophobicContact CD-CZ 4.01Å; K109-F117 HydrophobicContact CG-CB 4.5Å; K109-F117 HydrophobicContact CG-CD2 3.62Å; K109-F117 HydrophobicContact CG-CE2 4.06Å; K109-F117 HydrophobicContact CG-CG 4.1Å; S115-F117 WeakPolarHBondContact O-CE2 3.39Å; F117-T124 WeakPolarHBondContact CD1-O 3.46Å
118F98.2Very high92.2Very high3 Ų336.3 Ų36.31%0.01323%0.234CC..EExtended strand (participates in β ladder)trans-97.6162.1167.4-50.6-84.8000110M47 L104 R105 I106 Y123 T124 V128 A131M47-F118 HydrophobicContact CB-CB 3.61Å; M47-F118 HydrophobicContact CB-CD1 4.1Å; M47-F118 HydrophobicContact CB-CD2 3.66Å; M47-F118 HydrophobicContact CB-CE2 4.32Å; M47-F118 HydrophobicContact CB-CG 3.51Å; M47-F118 HydrophobicContact CE-CD2 3.72Å; M47-F118 HydrophobicContact CE-CE2 3.59Å; M47-F118 HydrophobicContact CE-CZ 4.43Å; M47-F118 HydrophobicContact CG-CB 4.19Å; M47-F118 HydrophobicContact CG-CD1 3.73Å; M47-F118 HydrophobicContact CG-CD2 3.5Å; M47-F118 VanDerWaalsContact CG-CD2 3.5Å; M47-F118 HydrophobicContact CG-CE1 3.88Å; M47-F118 HydrophobicContact CG-CE2 3.66Å; M47-F118 HydrophobicContact CG-CG 3.51Å; M47-F118 HydrophobicContact CG-CZ 3.82Å; M47-F118 HydrophobicContact SD-CD2 4.3Å; M47-F118 HydrophobicContact SD-CE2 4.06Å; M47-F118 HydrophobicContact SD-CZ 4.37Å; L104-F118 HydrophobicContact CB-CD1 4.22Å; L104-F118 HydrophobicContact CB-CE1 3.89Å; L104-F118 HydrophobicContact CD1-CE1 3.96Å; L104-F118 HydrophobicContact CD1-CZ 4.44Å; L104-F118 HydrophobicContact CD2-CD1 4.46Å; L104-F118 HydrophobicContact CD2-CE1 3.99Å; L104-F118 HydrophobicContact CG-CE1 4.17Å; R105-F118 CarbonylContact O-C 3.59Å; R105-F118 WeakPolarHBondContact O-CA 3.23Å; R105-F118 WeakPolarHBondContact O-CB 3.37Å; I106-F118 HydrophobicContact CG1-CD1 4.02Å; I106-F118 HydrophobicContact CG1-CE1 4.06Å; F118-Y123 CarbonylContact O-C 3.55Å; F118-Y123 WeakPolarHBondContact O-CA 3.44Å; F118-T124 HydrophobicContact CB-CG2 3.72Å; F118-T124 PolarHBondContact N-OG1 3.07Å; F118-T124 PolarHBondContact O-N 3.04Å; F118-T124 PolarHBondContact O-OG1 3.29Å; F118-V128 HydrophobicContact CD1-CG2 4.22Å; F118-V128 HydrophobicContact CD2-CG2 4.44Å; F118-V128 HydrophobicContact CE1-CB 4.45Å; F118-V128 HydrophobicContact CE1-CG1 4.4Å; F118-V128 HydrophobicContact CE1-CG2 3.83Å; F118-V128 HydrophobicContact CE2-CB 4.37Å; F118-V128 HydrophobicContact CE2-CG2 4.08Å; F118-V128 HydrophobicContact CZ-CB 4.02Å; F118-V128 HydrophobicContact CZ-CG1 4.13Å; F118-V128 HydrophobicContact CZ-CG2 3.79Å; F118-A131 HydrophobicContact CE2-CB 3.64Å; F118-A131 HydrophobicContact CZ-CB 3.88Å
119A97.1Very high92.3Very high9 Ų938.5 Ų38.57%0.07425%0.245CC..EExtended strand (participates in β ladder)trans-153.2148177.100000114.5L58 R105 A107 I122 Y123L58-A119 HydrophobicContact CD1-CB 3.69Å; L58-A119 HydrophobicContact CD2-CB 3.43Å; L58-A119 VanDerWaalsContact CD2-CB 3.43Å; L58-A119 HydrophobicContact CG-CB 3.98Å; R105-A119 WeakPolarHBondContact CB-O 3.37Å; R105-A119 PolarHBondContact O-N 2.91Å; A107-A119 HydrophobicContact CB-CB 3.66Å; A119-I122 VanDerWaalsContact CA-O 3.28Å; A119-I122 WeakPolarHBondContact CA-O 3.13Å; A119-I122 WeakPolarHBondContact CB-O 3.28Å; A119-Y123 HydrophobicContact CB-CD1 4.19Å
120H96.1Very high92.6Very high39 Ų3941.6 Ų41.618%0.18126%0.26CS..SBendtrans-153.7103.7167.1-174-153.1000107.6D45 S84 I122D45-H120 IonicContact OD2-CD2 2.91Å; D45-H120 IonicContact OD2-CE1 3.4Å; D45-H120 PolarHBondContact OD2-CE1 3.35Å; D45-H120 VanDerWaalsContact OD2-CE1 3.27Å; D45-H120 IonicContact OD2-CG 3.24Å; D45-H120 IonicContact OD2-ND1 2.97Å; D45-H120 PolarHBondContact OD2-ND1 3.45Å; D45-H120 IonicContact OD2-NE2 2.95Å; S84-H120 VanDerWaalsContact CB-O 3.24Å; S84-H120 WeakPolarHBondContact CB-O 3.37Å; S84-H120 PolarHBondContact O-ND1 3.25Å; H120-I122 PolarHBondContact N-O 3.02Å; H120-I122 PolarHBondContact O-N 2.97Å
121G94.6Very high93.2Very high2 Ų237.6 Ų37.62%0.02123%0.234CC..SBendtrans69.9-50.1-167.600000114.6V57 L58 E61V57-G121 WeakPolarHBondContact CA-O 3.22Å; L58-G121 PolarHBondContact N-O 2.97Å; E61-G121 WeakPolarHBondContact OE1-CA 3.41Å
122I96.2Very high94.2Very high0 Ų032.6 Ų32.60%019%0.193CC..SBendtrans-131173.1175.354.1177.3000109.6L51 V57 I80 Y81 A119 H120L51-I122 HydrophobicContact CB-CD1 4.09Å; L51-I122 HydrophobicContact CB-CG1 4.12Å; L51-I122 HydrophobicContact CD1-CG1 4.24Å; L51-I122 HydrophobicContact CD2-CG1 4.21Å; L51-I122 WeakPolarHBondContact CD2-O 3.18Å; L51-I122 HydrophobicContact CG-CG1 4.41Å; V57-I122 HydrophobicContact CG2-CG2 4.14Å; I80-I122 HydrophobicContact CG2-CD1 4.46Å; I80-I122 HydrophobicContact CG2-CG1 4.17Å; I80-I122 HydrophobicContact CG2-CG2 4.03Å; Y81-I122 HydrophobicContact CD2-CD1 4.38Å; A119-I122 VanDerWaalsContact CA-O 3.28Å; A119-I122 WeakPolarHBondContact CA-O 3.13Å; A119-I122 WeakPolarHBondContact CB-O 3.28Å; H120-I122 PolarHBondContact N-O 3.02Å; H120-I122 PolarHBondContact O-N 2.97Å
123Y97.3Very high95.7Very high1 Ų135.4 Ų35.40%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-90.6160.9-173.6-61-97.6000112.5D52 S55 P56 L58 A107 R108 K109 F118 A119D52-Y123 WeakPolarHBondContact CB-O 3.29Å; D52-Y123 PolarHBondContact N-O 3.1Å; S55-Y123 PolarHBondContact OG-N 3.27Å; P56-Y123 HydrophobicContact CG-CD2 4.34Å; P56-Y123 HydrophobicContact CG-CE2 3.97Å; P56-Y123 VanDerWaalsContact O-CD2 3.27Å; P56-Y123 WeakPolarHBondContact O-CD2 3.15Å; P56-Y123 WeakPolarHBondContact O-CE2 3.26Å; L58-Y123 HydrophobicContact CD2-CD1 4.19Å; L58-Y123 HydrophobicContact CD2-CD2 4.32Å; L58-Y123 HydrophobicContact CD2-CE1 3.66Å; L58-Y123 HydrophobicContact CD2-CE2 3.78Å; L58-Y123 VanDerWaalsContact CD2-CZ 3.43Å; A107-Y123 HydrophobicContact CB-CD1 4Å; A107-Y123 HydrophobicContact CB-CE1 3.68Å; R108-Y123 WeakPolarHBondContact O-CE1 3.36Å; R108-Y123 PolarHBondContact O-OH 3.41Å; K109-Y123 HydrophobicContact CB-CD1 4.41Å; K109-Y123 HydrophobicContact CB-CE1 4.41Å; K109-Y123 HydrophobicContact CD-CD1 4.49Å; K109-Y123 HydrophobicContact CD-CG 4.37Å; K109-Y123 HydrophobicContact CG-CD1 3.4Å; K109-Y123 VanDerWaalsContact CG-CD1 3.4Å; K109-Y123 HydrophobicContact CG-CD2 4.27Å; K109-Y123 HydrophobicContact CG-CE1 3.85Å; K109-Y123 HydrophobicContact CG-CG 3.63Å; F118-Y123 CarbonylContact O-C 3.55Å; F118-Y123 WeakPolarHBondContact O-CA 3.44Å; A119-Y123 HydrophobicContact CB-CD1 4.19Å
124T97.5Very high96.5Very high1 Ų136.4 Ų36.41%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-81.6159.8171.855.90000113.6M47 C50 L51 K109 F117 F118 M126M47-T124 HydrophobicContact CB-CG2 4.28Å; M47-T124 WeakPolarHBondContact O-CG2 3.2Å; C50-T124 CarbonylContact O-C 3.6Å; C50-T124 WeakPolarHBondContact O-CA 3.44Å; L51-T124 HydrophobicContact CD2-CG2 4.12Å; K109-T124 VanDerWaalsContact CE-O 3.25Å; K109-T124 WeakPolarHBondContact CE-O 3.31Å; K109-T124 PolarHBondContact NZ-O 3.09Å; F117-T124 WeakPolarHBondContact CD1-O 3.46Å; F118-T124 HydrophobicContact CB-CG2 3.72Å; F118-T124 PolarHBondContact N-OG1 3.07Å; F118-T124 PolarHBondContact O-N 3.04Å; F118-T124 PolarHBondContact O-OG1 3.29Å; T124-M126 PolarHBondContact OG1-O 3.44Å
125L96.3Very high97.1Very high108 Ų10832.6 Ų32.657%0.56517%0.165SC*.EExtended strand (participates in β ladder)trans-72.3-47.2167.4-70.2170000111.3C50 D52C50-L125 PolarHBondContact O-N 3.24Å; D52-L125 HydrophobicContact CB-CD2 3.64Å; D52-L125 HydrophobicContact CB-CG 3.82Å
126M96.6Very high97.4Very high36 Ų3630.2 Ų30.218%0.17715%0.149CC..EExtended strand (participates in β ladder)trans-75.2138.1-179-171.2177.2-84.200110.9M47 F49 T124 E130 A131M47-M126 HydrophobicContact CE-CB 4.36Å; M47-M126 HydrophobicContact CE-CG 4.37Å; M47-M126 HydrophobicContact CE-SD 3.78Å; F49-M126 HydrophobicContact CZ-SD 4.45Å; T124-M126 PolarHBondContact OG1-O 3.44Å; M126-E130 HydrophobicContact CG-CB 3.87Å; M126-A131 HydrophobicContact CG-CB 4.3Å; M126-A131 HydrophobicContact SD-CB 3.81Å
127S97.4Very high97.4Very high16 Ų1633.1 Ų33.111%0.11217%0.17CC..EExtended strand (participates in β ladder)trans-80.1162.3175.567.70000112.2L116 K129 E130 A131L116-S127 WeakPolarHBondContact O-CA 3.46Å; L116-S127 WeakPolarHBondContact O-CB 3.36Å; S127-K129 VanDerWaalsContact C-N 3.26Å; S127-K129 PolarHBondContact O-N 2.91Å; S127-E130 WeakPolarHBondContact CB-OE2 3.28Å; S127-E130 PolarHBondContact N-OE2 2.84Å; S127-E130 PolarHBondContact O-N 3.21Å; S127-E130 VanDerWaalsContact OG-CD 3.23Å; S127-E130 VanDerWaalsContact OG-CG 3.27Å; S127-E130 WeakPolarHBondContact OG-CG 3.39Å; S127-E130 PolarHBondContact OG-N 3.32Å; S127-E130 PolarHBondContact OG-OE2 2.95Å; S127-A131 PolarHBondContact O-N 3.42Å
128V98.3Very high97.4Very high3 Ų332 Ų322%0.01817%0.165CC..Hα-helixtrans-59.5-40.8175176.80000111.3I106 L116 F118 L132 L165I106-V128 HydrophobicContact CD1-CG1 4.31Å; I106-V128 HydrophobicContact CD1-CG2 4.35Å; I106-V128 HydrophobicContact CG1-CG2 4.12Å; I106-V128 HydrophobicContact CG2-CG2 3.96Å; L116-V128 HydrophobicContact CB-CB 4.27Å; L116-V128 HydrophobicContact CB-CG2 3.82Å; L116-V128 PolarHBondContact O-N 2.65Å; F118-V128 HydrophobicContact CD1-CG2 4.22Å; F118-V128 HydrophobicContact CD2-CG2 4.44Å; F118-V128 HydrophobicContact CE1-CB 4.45Å; F118-V128 HydrophobicContact CE1-CG1 4.4Å; F118-V128 HydrophobicContact CE1-CG2 3.83Å; F118-V128 HydrophobicContact CE2-CB 4.37Å; F118-V128 HydrophobicContact CE2-CG2 4.08Å; F118-V128 HydrophobicContact CZ-CB 4.02Å; F118-V128 HydrophobicContact CZ-CG1 4.13Å; F118-V128 HydrophobicContact CZ-CG2 3.79Å; V128-L132 HydrophobicContact CG1-CD1 3.8Å; V128-L132 HydrophobicContact CG1-CG 4.24Å; V128-L132 WeakPolarHBondContact O-CB 3.48Å; V128-L132 VanDerWaalsContact O-CG 3.31Å; V128-L132 WeakPolarHBondContact O-CG 3.45Å; V128-L132 PolarHBondContact O-N 3.03Å; V128-L165 HydrophobicContact CG1-CD1 3.81Å
129K97.8Very high97.4Very high113 Ų11331.8 Ų31.849%0.49117%0.165SC..Hα-helixtrans-60.9-52.7-179.7174.9165.6-177.6-1770111.9S127 A131 L132 E133 F168S127-K129 VanDerWaalsContact C-N 3.26Å; S127-K129 PolarHBondContact O-N 2.91Å; K129-A131 PolarHBondContact O-N 3.24Å; K129-L132 PolarHBondContact O-N 3.36Å; K129-E133 WeakPolarHBondContact CE-OE1 3.36Å; K129-E133 HydrophobicContact CG-CG 4.43Å; K129-E133 IonicContact NZ-OE1 3.6Å; K129-E133 WeakPolarHBondContact O-CB 3.49Å; K129-E133 WeakPolarHBondContact O-CG 3.33Å; K129-E133 PolarHBondContact O-N 3.31Å; K129-F168 HydrophobicContact CB-CE1 4.18Å; K129-F168 HydrophobicContact CB-CZ 3.96Å; K129-F168 HydrophobicContact CD-CE2 4.06Å; K129-F168 HydrophobicContact CD-CZ 4.28Å; K129-F168 HydrophobicContact CG-CE1 4.29Å; K129-F168 HydrophobicContact CG-CE2 3.84Å; K129-F168 HydrophobicContact CG-CZ 3.57Å
130E97.5Very high97.5Very high97 Ų9736.3 Ų36.345%0.45319%0.188SC..Hα-helixtrans-57.8-47.8179.8-70.3161.2144.300111.5M126 S127 L132 E133 E134M126-E130 HydrophobicContact CG-CB 3.87Å; S127-E130 WeakPolarHBondContact CB-OE2 3.28Å; S127-E130 PolarHBondContact N-OE2 2.84Å; S127-E130 PolarHBondContact O-N 3.21Å; S127-E130 VanDerWaalsContact OG-CD 3.23Å; S127-E130 VanDerWaalsContact OG-CG 3.27Å; S127-E130 WeakPolarHBondContact OG-CG 3.39Å; S127-E130 PolarHBondContact OG-N 3.32Å; S127-E130 PolarHBondContact OG-OE2 2.95Å; E130-L132 PolarHBondContact O-N 3.02Å; E130-E133 PolarHBondContact O-N 3.45Å; E130-E134 WeakPolarHBondContact O-CG 3.48Å; E130-E134 PolarHBondContact O-N 3.44Å
131A98.1Very high97.5Very high1 Ų137.7 Ų37.71%0.00821%0.206CC..Hα-helixtrans-63.9-39.2-178.200000112.9M47 L91 F118 M126 S127 K129 L135M47-A131 HydrophobicContact CE-CB 3.63Å; M47-A131 HydrophobicContact SD-CB 4.07Å; L91-A131 HydrophobicContact CD1-CB 4.14Å; F118-A131 HydrophobicContact CE2-CB 3.64Å; F118-A131 HydrophobicContact CZ-CB 3.88Å; M126-A131 HydrophobicContact CG-CB 4.3Å; M126-A131 HydrophobicContact SD-CB 3.81Å; S127-A131 PolarHBondContact O-N 3.42Å; K129-A131 PolarHBondContact O-N 3.24Å; A131-L135 WeakPolarHBondContact O-CB 3.49Å; A131-L135 PolarHBondContact O-N 2.98Å; A131-L135 VanDerWaalsContact O-N 3.11Å
132L98.6Very high97.7Very high0 Ų038.6 Ų38.60%021%0.21CC..Hα-helixtrans-74.7-33.1178.9-67.2-176.2000112.4L104 V128 K129 E130 L135 A136 I149 F168 I169 L172 F173L104-L132 HydrophobicContact CD1-CD2 3.99Å; V128-L132 HydrophobicContact CG1-CD1 3.8Å; V128-L132 HydrophobicContact CG1-CG 4.24Å; V128-L132 WeakPolarHBondContact O-CB 3.48Å; V128-L132 VanDerWaalsContact O-CG 3.31Å; V128-L132 WeakPolarHBondContact O-CG 3.45Å; V128-L132 PolarHBondContact O-N 3.03Å; K129-L132 PolarHBondContact O-N 3.36Å; E130-L132 PolarHBondContact O-N 3.02Å; L132-L135 HydrophobicContact CD2-CD2 4.15Å; L132-L135 PolarHBondContact O-N 2.77Å; L132-A136 WeakPolarHBondContact O-CB 3.37Å; L132-A136 PolarHBondContact O-N 2.8Å; L132-I149 HydrophobicContact CD2-CD1 4.13Å; L132-F168 HydrophobicContact CB-CE1 4.28Å; L132-F168 HydrophobicContact CD1-CE1 4.12Å; L132-I169 HydrophobicContact CD1-CD1 4.17Å; L132-I169 HydrophobicContact CD1-CG1 3.75Å; L132-L172 HydrophobicContact CB-CD2 3.68Å; L132-F173 HydrophobicContact CB-CZ 4.48Å; L132-F173 HydrophobicContact CD2-CE2 4.48Å; L132-F173 HydrophobicContact CD2-CZ 4.38Å
133E98.3Very high97.8Very high78 Ų7842.7 Ų42.736%0.36424%0.236SC..Hα-helixtrans-65.7-40.1173.1-74.1172.8163.600111.8K129 E130 L135 A136 S137 F168 L172K129-E133 WeakPolarHBondContact CE-OE1 3.36Å; K129-E133 HydrophobicContact CG-CG 4.43Å; K129-E133 IonicContact NZ-OE1 3.6Å; K129-E133 WeakPolarHBondContact O-CB 3.49Å; K129-E133 WeakPolarHBondContact O-CG 3.33Å; K129-E133 PolarHBondContact O-N 3.31Å; E130-E133 PolarHBondContact O-N 3.45Å; E133-L135 VanDerWaalsContact C-N 3.34Å; E133-A136 PolarHBondContact O-N 3.25Å; E133-S137 PolarHBondContact O-N 3.4Å; E133-S137 VanDerWaalsContact O-N 3.09Å; E133-S137 PolarHBondContact O-OG 2.97Å; E133-F168 HydrophobicContact CG-CZ 4.3Å; E133-L172 HydrophobicContact CG-CD1 4.14Å; E133-L172 HydrophobicContact CG-CD2 4.49Å
134E96.9Very high97.8Very high74 Ų7447.8 Ų47.835%0.34626%0.258SS..Hα-helixtrans-61.5-42.8171.5-73.9-176.8-18000111.5E130 S137 W138E130-E134 WeakPolarHBondContact O-CG 3.48Å; E130-E134 PolarHBondContact O-N 3.44Å; E134-S137 WeakPolarHBondContact O-CB 3.5Å; E134-S137 PolarHBondContact O-N 3.04Å; E134-W138 PolarHBondContact O-N 3.04Å; E134-W138 VanDerWaalsContact O-N 3.08Å
135L98.1Very high97.9Very high0 Ų047.7 Ų47.70%026%0.258CS..Hα-helixtrans-66.9-39178.3-175.359.9000112.4L91 L102 A131 L132 E133 S137 W138 L139 I147 I149L91-L135 HydrophobicContact CD1-CD2 4.31Å; L102-L135 HydrophobicContact CD1-CD1 4.1Å; L102-L135 HydrophobicContact CD1-CD2 3.64Å; A131-L135 WeakPolarHBondContact O-CB 3.49Å; A131-L135 PolarHBondContact O-N 2.98Å; A131-L135 VanDerWaalsContact O-N 3.11Å; L132-L135 HydrophobicContact CD2-CD2 4.15Å; L132-L135 PolarHBondContact O-N 2.77Å; E133-L135 VanDerWaalsContact C-N 3.34Å; L135-S137 VanDerWaalsContact C-N 3.31Å; L135-S137 PolarHBondContact O-N 3.31Å; L135-W138 WeakPolarHBondContact O-CB 3.49Å; L135-W138 PolarHBondContact O-N 3.21Å; L135-L139 WeakPolarHBondContact O-CG 3.31Å; L135-L139 PolarHBondContact O-N 3.39Å; L135-I147 HydrophobicContact CD1-CD1 3.83Å; L135-I147 HydrophobicContact CD2-CD1 3.56Å; L135-I147 HydrophobicContact CG-CD1 3.64Å; L135-I149 HydrophobicContact CD2-CD1 3.73Å; L135-I149 HydrophobicContact CD2-CG1 4.17Å
136A98.4Very high98Very high10 Ų1042.7 Ų42.78%0.08323%0.231CC..Hα-helixtrans-61-42173.900000111.3L132 E133 W138 L139 D140 L172 F173L132-A136 WeakPolarHBondContact O-CB 3.37Å; L132-A136 PolarHBondContact O-N 2.8Å; E133-A136 PolarHBondContact O-N 3.25Å; A136-W138 VanDerWaalsContact C-N 3.3Å; A136-W138 PolarHBondContact O-N 2.88Å; A136-L139 WeakPolarHBondContact O-CB 3.28Å; A136-L139 PolarHBondContact O-N 3.25Å; A136-L139 VanDerWaalsContact O-N 3.17Å; A136-D140 PolarHBondContact O-N 3.44Å; A136-D140 VanDerWaalsContact O-N 3.07Å; A136-L172 HydrophobicContact CB-CD1 4Å; A136-L172 HydrophobicContact CB-CD2 4.34Å; A136-L172 HydrophobicContact CB-CG 4.11Å; A136-F173 HydrophobicContact CB-CD1 4.38Å; A136-F173 HydrophobicContact CB-CE1 3.88Å
137S98.2Very high98.1Very high79 Ų7941 Ų4155%0.55222%0.223SC*.Hα-helixtrans-62.2-37.7175.5-57.10000112.2E133 E134 L135 D140 A141E133-S137 PolarHBondContact O-N 3.4Å; E133-S137 VanDerWaalsContact O-N 3.09Å; E133-S137 PolarHBondContact O-OG 2.97Å; E134-S137 WeakPolarHBondContact O-CB 3.5Å; E134-S137 PolarHBondContact O-N 3.04Å; L135-S137 VanDerWaalsContact C-N 3.31Å; L135-S137 PolarHBondContact O-N 3.31Å; S137-D140 PolarHBondContact O-N 3.39Å; S137-A141 PolarHBondContact O-N 3.21Å
138W98.1Very high98.2Very high1 Ų140.3 Ų40.30%0.00422%0.218CC..Hα-helixtrans-64.1-45.1173-174.987.2000111.5S20 W92 C95 E96 E134 L135 A136 D140 A141 H142 E145 I147S20-W138 WeakPolarHBondContact O-CZ2 3.3Å; W92-W138 AromaticContact CD1-CD1 3.54Å; W92-W138 AromaticContact CE2-CD1 4Å; W92-W138 AromaticContact NE1-CD1 3.52Å; C95-W138 HydrophobicContact CB-CD2 3.7Å; C95-W138 VanDerWaalsContact CB-CE2 3.43Å; C95-W138 HydrophobicContact CB-CE3 4.06Å; C95-W138 HydrophobicContact CB-CG 4.3Å; C95-W138 HydrophobicContact CB-CH2 4.04Å; C95-W138 HydrophobicContact CB-CZ2 3.64Å; C95-W138 HydrophobicContact CB-CZ3 4.22Å; E96-W138 PolarHBondContact OE1-NE1 3Å; E134-W138 PolarHBondContact O-N 3.04Å; E134-W138 VanDerWaalsContact O-N 3.08Å; L135-W138 WeakPolarHBondContact O-CB 3.49Å; L135-W138 PolarHBondContact O-N 3.21Å; A136-W138 VanDerWaalsContact C-N 3.3Å; A136-W138 PolarHBondContact O-N 2.88Å; W138-D140 VanDerWaalsContact C-N 3.25Å; W138-D140 PolarHBondContact O-N 3Å; W138-A141 WeakPolarHBondContact O-CB 3.48Å; W138-A141 PolarHBondContact O-N 3.1Å; W138-H142 AromaticContact CD1-CD2 3.62Å; W138-H142 AromaticContact CD1-NE2 3.85Å; W138-H142 HydrophobicContact CD2-CB 4.48Å; W138-H142 AromaticContact CD2-CD2 3.64Å; W138-H142 AromaticContact CE2-CD2 3.19Å; W138-H142 AromaticContact CE2-CG 3.73Å; W138-H142 AromaticContact CE2-NE2 3.73Å; W138-H142 HydrophobicContact CE3-CB 4.39Å; W138-H142 AromaticContact CG-CD2 3.88Å; W138-H142 HydrophobicContact CH2-CB 3.83Å; W138-H142 HydrophobicContact CZ2-CB 3.95Å; W138-H142 AromaticContact CZ2-CD2 3.56Å; W138-H142 AromaticContact CZ2-CG 3.59Å; W138-H142 HydrophobicContact CZ3-CB 4.08Å; W138-H142 AromaticContact NE1-CD2 3.21Å; W138-H142 PolarHBondContact NE1-CD2 2.82Å; W138-H142 AromaticContact NE1-NE2 3.31Å; W138-H142 PolarHBondContact NE1-NE2 3.02Å; W138-H142 PolarHBondContact O-CD2 3.04Å; W138-H142 PolarHBondContact O-N 3.21Å; W138-E145 HydrophobicContact CH2-CB 3.63Å; W138-E145 HydrophobicContact CH2-CG 3.87Å; W138-E145 HydrophobicContact CZ3-CB 3.9Å; W138-I147 HydrophobicContact CZ3-CG2 4.06Å
139L98.4Very high98.2Very high0 Ų040.2 Ų40.20%022%0.218CC..Hα-helixtrans-60.1-34.2177.5-70.3175.1000113.5L135 A136 A141 H142 I147 F173 Q195 V196L135-L139 WeakPolarHBondContact O-CG 3.31Å; L135-L139 PolarHBondContact O-N 3.39Å; A136-L139 WeakPolarHBondContact O-CB 3.28Å; A136-L139 PolarHBondContact O-N 3.25Å; A136-L139 VanDerWaalsContact O-N 3.17Å; L139-A141 VanDerWaalsContact C-N 3.31Å; L139-H142 CarbonylContact O-C 3.49Å; L139-H142 VanDerWaalsContact O-C 3.31Å; L139-H142 PolarHBondContact O-N 3.26Å; L139-I147 HydrophobicContact CD1-CD1 3.74Å; L139-I147 HydrophobicContact CD1-CG1 4.15Å; L139-I147 HydrophobicContact CD2-CD1 4.02Å; L139-I147 HydrophobicContact CD2-CG1 3.97Å; L139-I147 HydrophobicContact CD2-CG2 3.97Å; L139-I147 HydrophobicContact CG-CD1 4.12Å; L139-F173 HydrophobicContact CD1-CD1 3.99Å; L139-F173 HydrophobicContact CD1-CE1 3.76Å; L139-Q195 HydrophobicContact CD1-CB 4.43Å; L139-Q195 HydrophobicContact CD2-CB 4.09Å; L139-Q195 PolarHBondContact O-NE2 3.31Å; L139-V196 HydrophobicContact CD1-CG2 3.39Å
140D98Very high98.3Very high104 Ų10435 Ų3556%0.55620%0.195SC*.Hα-helixtrans-66.4-33.9175.1-72.3-24.1000112.5A136 S137 W138 K176A136-D140 PolarHBondContact O-N 3.44Å; A136-D140 VanDerWaalsContact O-N 3.07Å; S137-D140 PolarHBondContact O-N 3.39Å; W138-D140 VanDerWaalsContact C-N 3.25Å; W138-D140 PolarHBondContact O-N 3Å; D140-K176 WeakPolarHBondContact OD1-CE 3.39Å; D140-K176 IonicContact OD1-NZ 2.78Å; D140-K176 PolarHBondContact OD1-NZ 2.99Å
141A97.9Very high98.3Very high68 Ų6830.4 Ų30.456%0.56217%0.174SC*.Hα-helixtrans-75.5-23.6174.100000113.1S137 W138 L139 P143S137-A141 PolarHBondContact O-N 3.21Å; W138-A141 WeakPolarHBondContact O-CB 3.48Å; W138-A141 PolarHBondContact O-N 3.1Å; L139-A141 VanDerWaalsContact C-N 3.31Å; A141-P143 VanDerWaalsContact C-CD 3.48Å; A141-P143 WeakPolarHBondContact O-CD 3.44Å
142H98.2Very high98.3Very high21 Ų2130.6 Ų30.610%0.09718%0.175CC..  trans-123.265.8-174.1-63.2-80.4000112.3D21 E96 W138 L139 K144 E145 Q195D21-H142 VanDerWaalsContact CG-ND1 3.33Å; D21-H142 IonicContact OD1-CE1 3.3Å; D21-H142 IonicContact OD1-CG 3.53Å; D21-H142 IonicContact OD1-ND1 2.81Å; D21-H142 PolarHBondContact OD1-ND1 3.09Å; D21-H142 IonicContact OD2-CE1 3.15Å; D21-H142 IonicContact OD2-ND1 3.04Å; D21-H142 PolarHBondContact OD2-ND1 3.17Å; E96-H142 IonicContact OE1-CE1 3Å; E96-H142 IonicContact OE1-NE2 3.86Å; E96-H142 PolarHBondContact OE1-NE2 3.32Å; W138-H142 AromaticContact CD1-CD2 3.62Å; W138-H142 AromaticContact CD1-NE2 3.85Å; W138-H142 HydrophobicContact CD2-CB 4.48Å; W138-H142 AromaticContact CD2-CD2 3.64Å; W138-H142 AromaticContact CE2-CD2 3.19Å; W138-H142 AromaticContact CE2-CG 3.73Å; W138-H142 AromaticContact CE2-NE2 3.73Å; W138-H142 HydrophobicContact CE3-CB 4.39Å; W138-H142 AromaticContact CG-CD2 3.88Å; W138-H142 HydrophobicContact CH2-CB 3.83Å; W138-H142 HydrophobicContact CZ2-CB 3.95Å; W138-H142 AromaticContact CZ2-CD2 3.56Å; W138-H142 AromaticContact CZ2-CG 3.59Å; W138-H142 HydrophobicContact CZ3-CB 4.08Å; W138-H142 AromaticContact NE1-CD2 3.21Å; W138-H142 PolarHBondContact NE1-CD2 2.82Å; W138-H142 AromaticContact NE1-NE2 3.31Å; W138-H142 PolarHBondContact NE1-NE2 3.02Å; W138-H142 PolarHBondContact O-CD2 3.04Å; W138-H142 PolarHBondContact O-N 3.21Å; L139-H142 CarbonylContact O-C 3.49Å; L139-H142 VanDerWaalsContact O-C 3.31Å; L139-H142 PolarHBondContact O-N 3.26Å; H142-K144 PolarHBondContact O-N 3.03Å; H142-E145 HydrophobicContact CB-CB 4.13Å; H142-E145 HydrophobicContact CB-CG 3.85Å; H142-E145 PolarHBondContact O-N 3.26Å; H142-Q195 PolarHBondContact O-NE2 3.33Å
143P97.8Very high98.2Very high86 Ų8635.1 Ų35.156%0.55820%0.196SC*.THydrogen-bonded Turntrans-65.4-13.8-167.726.3-36.8000115.3A141A141-P143 VanDerWaalsContact C-CD 3.48Å; A141-P143 WeakPolarHBondContact O-CD 3.44Å
144K98.4Very high98.1Very high107 Ų10733.4 Ų33.447%0.46519%0.188SC..THydrogen-bonded Turntrans-102.35.8178.1-71.3-173176.8-175.70113.5H142 W190H142-K144 PolarHBondContact O-N 3.03Å; K144-W190 VanDerWaalsContact C-NE1 3.33Å; K144-W190 HydrophobicContact CB-CD2 4.38Å; K144-W190 HydrophobicContact CB-CZ2 3.99Å; K144-W190 HydrophobicContact CD-CZ3 4.48Å; K144-W190 HydrophobicContact CG-CD2 4.21Å; K144-W190 HydrophobicContact CG-CG 4.44Å; K144-W190 VanDerWaalsContact O-CE2 3.29Å; K144-W190 WeakPolarHBondContact O-CZ2 3.31Å; K144-W190 PolarHBondContact O-NE1 3.35Å
145E98.7Very high98.1Very high0 Ų031.5 Ų31.50%018%0.179CC..  trans-99.9140.5177.3-58.3-59.2123.200110.1D21 M23 S24 R100 W138 H142 Q195D21-E145 WeakPolarHBondContact CA-OE1 3.37Å; M23-E145 WeakPolarHBondContact CB-OE1 3.39Å; M23-E145 WeakPolarHBondContact CB-OE2 3.38Å; M23-E145 WeakPolarHBondContact CG-OE2 3.45Å; M23-E145 PolarHBondContact N-OE1 3.44Å; M23-E145 VanDerWaalsContact N-OE1 3.15Å; M23-E145 PolarHBondContact N-OE2 2.65Å; S24-E145 PolarHBondContact N-OE1 3Å; R100-E145 IonicContact CZ-OE2 3.66Å; R100-E145 VanDerWaalsContact CZ-OE2 3.24Å; R100-E145 IonicContact NE-OE2 3.05Å; R100-E145 PolarHBondContact NE-OE2 3.35Å; R100-E145 IonicContact NH2-OE2 3.53Å; R100-E145 PolarHBondContact NH2-OE2 3.04Å; W138-E145 HydrophobicContact CH2-CB 3.63Å; W138-E145 HydrophobicContact CH2-CG 3.87Å; W138-E145 HydrophobicContact CZ3-CB 3.9Å; H142-E145 HydrophobicContact CB-CB 4.13Å; H142-E145 HydrophobicContact CB-CG 3.85Å; H142-E145 PolarHBondContact O-N 3.26Å; E145-Q195 WeakPolarHBondContact O-CB 3.28Å; E145-Q195 PolarHBondContact O-NE2 3.32Å
146V98.8Very high97.9Very high2 Ų233.6 Ų33.61%0.01219%0.194CC..  trans-118.8125.9179.1-176.30000108.7M23 L35 R100 L186 C189 Q195 I197M23-V146 VanDerWaalsContact CE-O 3.28Å; M23-V146 WeakPolarHBondContact CE-O 3.39Å; M23-V146 HydrophobicContact SD-CB 4Å; M23-V146 PolarHBondContact SD-N 3.11Å; L35-V146 HydrophobicContact CD1-CB 4.35Å; L35-V146 HydrophobicContact CD1-CG1 3.81Å; R100-V146 WeakPolarHBondContact CD-O 3.47Å; V146-L186 HydrophobicContact CG2-CD2 4.11Å; V146-C189 HydrophobicContact CG2-CB 3.77Å; V146-Q195 CarbonylContact C-O 3.49Å; V146-Q195 VanDerWaalsContact CA-O 3.28Å; V146-Q195 WeakPolarHBondContact CA-O 3.43Å; V146-I197 HydrophobicContact CG1-CD1 4.42Å
147I98.8Very high97.7Very high0 Ų034.4 Ų34.40%020%0.196CC..EExtended strand (participates in β ladder)trans-109.8150.1178.864.6169.2000111.6R100 L135 W138 L139 I149 Q195 V196 I197R100-I147 CarbonylContact O-C 3.58Å; R100-I147 WeakPolarHBondContact O-CA 3.14Å; L135-I147 HydrophobicContact CD1-CD1 3.83Å; L135-I147 HydrophobicContact CD2-CD1 3.56Å; L135-I147 HydrophobicContact CG-CD1 3.64Å; W138-I147 HydrophobicContact CZ3-CG2 4.06Å; L139-I147 HydrophobicContact CD1-CD1 3.74Å; L139-I147 HydrophobicContact CD1-CG1 4.15Å; L139-I147 HydrophobicContact CD2-CD1 4.02Å; L139-I147 HydrophobicContact CD2-CG1 3.97Å; L139-I147 HydrophobicContact CD2-CG2 3.97Å; L139-I147 HydrophobicContact CG-CD1 4.12Å; I147-I149 HydrophobicContact CD1-CD1 3.84Å; I147-I149 HydrophobicContact CD1-CG1 3.88Å; I147-I149 HydrophobicContact CG1-CG1 4.34Å; I147-Q195 PolarHBondContact N-O 3.24Å; I147-V196 HydrophobicContact CD1-CG2 4.26Å; I147-V196 HydrophobicContact CG1-CG1 4.48Å; I147-V196 HydrophobicContact CG1-CG2 3.99Å; I147-V196 WeakPolarHBondContact O-CA 3.39Å; I147-I197 PolarHBondContact O-N 3.43Å
148I98.9Very high97.6Very high3 Ų334 Ų342%0.01519%0.19CC..EExtended strand (participates in β ladder)trans-112.7113.1173.8-53.1172.3000106.7I40 R100 Y101 L102 I197 I216 F245 I296I40-I148 HydrophobicContact CD1-CD1 3.88Å; R100-I148 PolarHBondContact O-N 2.97Å; Y101-I148 WeakPolarHBondContact CA-O 3.36Å; Y101-I148 HydrophobicContact CD2-CB 3.89Å; Y101-I148 HydrophobicContact CD2-CG2 3.63Å; Y101-I148 HydrophobicContact CE2-CG2 4.07Å; L102-I148 PolarHBondContact N-O 2.79Å; I148-I197 CarbonylContact C-O 3.53Å; I148-I197 WeakPolarHBondContact CA-O 3.3Å; I148-I197 HydrophobicContact CG1-CB 4.19Å; I148-I197 HydrophobicContact CG1-CD1 4.35Å; I148-I197 HydrophobicContact CG2-CB 4.42Å; I148-I197 HydrophobicContact CG2-CG2 4.17Å; I148-I216 HydrophobicContact CG2-CD1 3.52Å; I148-F245 HydrophobicContact CD1-CD1 3.75Å; I148-F245 HydrophobicContact CD1-CE1 3.63Å; I148-F245 HydrophobicContact CD1-CZ 4.29Å; I148-I296 HydrophobicContact CD1-CD1 3.91Å; I148-I296 HydrophobicContact CD1-CG1 4.31Å
149I98.8Very high97.5Very high0 Ų039.2 Ų39.20%022%0.219CC..EExtended strand (participates in β ladder)trans-99.8123.1175.6-59.7176.8000107.3L104 L132 L135 I147 F173 V196 I197 L198 S199L104-I149 HydrophobicContact CD1-CG2 3.5Å; L104-I149 HydrophobicContact CG-CG2 4.21Å; L132-I149 HydrophobicContact CD2-CD1 4.13Å; L135-I149 HydrophobicContact CD2-CD1 3.73Å; L135-I149 HydrophobicContact CD2-CG1 4.17Å; I147-I149 HydrophobicContact CD1-CD1 3.84Å; I147-I149 HydrophobicContact CD1-CG1 3.88Å; I147-I149 HydrophobicContact CG1-CG1 4.34Å; I149-F173 HydrophobicContact CD1-CE2 3.77Å; I149-F173 HydrophobicContact CD1-CZ 3.75Å; I149-V196 HydrophobicContact CD1-CG1 3.88Å; I149-V196 HydrophobicContact CG1-CG1 4.31Å; I149-I197 PolarHBondContact N-O 2.89Å; I149-L198 HydrophobicContact CB-CD1 4.1Å; I149-L198 HydrophobicContact CG2-CD1 4.04Å; I149-S199 PolarHBondContact O-N 3Å
150S98.6Very high97.4Very high4 Ų444.5 Ų44.53%0.02824%0.243CC..EExtended strand (participates in β ladder)trans-111100.9176.7-165.50000109.9Y101 L102 L104Y101-S150 WeakPolarHBondContact OH-CB 3.41Å; Y101-S150 PolarHBondContact OH-OG 2.94Å; L102-S150 PolarHBondContact O-N 2.72Å; L104-S150 WeakPolarHBondContact CA-O 3.47Å; L104-S150 WeakPolarHBondContact CB-O 3.07Å; L104-S150 PolarHBondContact N-O 3.25Å
151C98.8Very high97.3Very high1 Ų139.8 Ų39.81%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-85.3116.3173.1-66.10000109.2L104 I106 F154 S199 Y200 D201L104-C151 WeakPolarHBondContact O-CA 3.4Å; I106-C151 HydrophobicContact CD1-CB 3.99Å; C151-F154 HydrophobicContact CB-CE1 4.16Å; C151-F154 HydrophobicContact CB-CZ 3.77Å; C151-S199 PolarHBondContact N-O 3.05Å; C151-Y200 HydrophobicContact CB-CD2 3.62Å; C151-Y200 HydrophobicContact CB-CE2 3.97Å; C151-Y200 HydrophobicContact CB-CG 4.38Å; C151-D201 PolarHBondContact O-N 2.95Å
152S97.8Very high97.3Very high4 Ų437.2 Ų37.23%0.02819%0.194CC..EExtended strand (participates in β ladder)trans-151.2-176.3-175.770.60000112.8L104 R105 I106 F154L104-S152 PolarHBondContact O-N 2.93Å; R105-S152 WeakPolarHBondContact CA-O 3.42Å; I106-S152 PolarHBondContact N-O 3.38Å; I106-S152 VanDerWaalsContact N-O 3.16Å; S152-F154 PolarHBondContact O-N 3.24Å
153H96.1Very high97.3Very high96 Ų9638.5 Ų38.544%0.44420%0.204SC..EExtended strand (participates in β ladder)trans50.644.2175.1-60.983.5000112.4R105 E155R105-H153 HydrophobicContact CB-CB 4.03Å; R105-H153 HydrophobicContact CG-CB 3.85Å; R105-H153 PolarHBondContact NE-ND1 2.96Å; H153-E155 PolarHBondContact O-N 3.16Å; H153-E155 VanDerWaalsContact O-N 3.16Å
154F97.3Very high97.2Very high42 Ų4238.7 Ų38.718%0.18420%0.197CC..EExtended strand (participates in β ladder)trans-61.9115.9-176.1-61.7-69.9000111.1I106 C151 S152 L157 H162 L165 Y200 D201I106-F154 HydrophobicContact CB-CD1 3.88Å; I106-F154 HydrophobicContact CB-CE1 4.01Å; I106-F154 HydrophobicContact CD1-CE1 4.12Å; I106-F154 HydrophobicContact CG2-CD1 4.29Å; I106-F154 HydrophobicContact CG2-CE1 4.47Å; I106-F154 CarbonylContact O-C 3.53Å; I106-F154 VanDerWaalsContact O-CA 3.24Å; I106-F154 WeakPolarHBondContact O-CA 3.27Å; C151-F154 HydrophobicContact CB-CE1 4.16Å; C151-F154 HydrophobicContact CB-CZ 3.77Å; S152-F154 PolarHBondContact O-N 3.24Å; F154-L157 HydrophobicContact CB-CD1 4.36Å; F154-L157 HydrophobicContact CB-CD2 4.35Å; F154-L157 HydrophobicContact CD1-CD2 3.58Å; F154-L157 HydrophobicContact CE1-CD2 4.22Å; F154-L157 HydrophobicContact CG-CD2 4.28Å; F154-H162 AromaticContact CD1-CE1 3.81Å; F154-H162 AromaticContact CD2-CE1 3.57Å; F154-H162 AromaticContact CE2-CE1 3.94Å; F154-H162 AromaticContact CG-CE1 3.48Å; F154-H162 VanDerWaalsContact CG-CE1 3.48Å; F154-H162 WeakPolarHBondContact CG-CE1 3.28Å; F154-L165 HydrophobicContact CE1-CD2 4.17Å; F154-Y200 HydrophobicContact CE1-CE1 4.39Å; F154-Y200 HydrophobicContact CE1-CE2 4.15Å; F154-Y200 AromaticContact CE1-CZ 3.89Å; F154-Y200 HydrophobicContact CE2-CD1 4.06Å; F154-Y200 AromaticContact CE2-CE1 3.78Å; F154-Y200 HydrophobicContact CE2-CE1 3.78Å; F154-Y200 AromaticContact CZ-CD1 3.93Å; F154-Y200 HydrophobicContact CZ-CD1 3.93Å; F154-Y200 HydrophobicContact CZ-CD2 4.03Å; F154-Y200 AromaticContact CZ-CE1 3.51Å; F154-Y200 HydrophobicContact CZ-CE1 3.51Å; F154-Y200 AromaticContact CZ-CE2 3.64Å; F154-Y200 HydrophobicContact CZ-CE2 3.64Å; F154-Y200 HydrophobicContact CZ-CG 4.17Å; F154-Y200 AromaticContact CZ-CZ 3.37Å; F154-D201 HydrophobicContact CD2-CB 4.46Å; F154-D201 HydrophobicContact CE2-CB 4.02Å
155E95Very high97.2Very high33 Ų3334 Ų3415%0.15418%0.177CC..EExtended strand (participates in β ladder)trans-110.8118-178176.466.4-145.300111L58 K59 S60 I106 A107 R108 H153 L157L58-E155 HydrophobicContact CD2-CG 3.9Å; K59-E155 WeakPolarHBondContact CB-OE1 3.05Å; S60-E155 WeakPolarHBondContact CB-OE2 3.35Å; S60-E155 PolarHBondContact OG-OE2 3.17Å; I106-E155 PolarHBondContact O-N 3.18Å; A107-E155 WeakPolarHBondContact CA-O 3.32Å; A107-E155 HydrophobicContact CB-CB 3.79Å; A107-E155 HydrophobicContact CB-CG 4.38Å; R108-E155 PolarHBondContact N-O 3.4Å; H153-E155 PolarHBondContact O-N 3.16Å; H153-E155 VanDerWaalsContact O-N 3.16Å; E155-L157 WeakPolarHBondContact O-CD1 3.38Å; E155-L157 PolarHBondContact O-N 2.8Å
156S94.6Very high97.2Very high45 Ų4534 Ų3432%0.31518%0.177SC..SBendtrans59.926.1178.2-61.10000114.8R108R108-S156 WeakPolarHBondContact CB-O 3.16Å
157L95.6Very high97.2Very high26 Ų2638 Ų3814%0.13620%0.199CC..  trans-80.5142.2168.4-81.969.7000109.9I106 R108 L116 F154 E155 D161 L165I106-L157 HydrophobicContact CG2-CD1 4.27Å; I106-L157 HydrophobicContact CG2-CD2 4.15Å; R108-L157 HydrophobicContact CB-CD1 4.39Å; L116-L157 HydrophobicContact CD1-CD2 4.11Å; L116-L157 HydrophobicContact CD2-CD1 4.17Å; L116-L157 HydrophobicContact CD2-CD2 4.39Å; L116-L157 HydrophobicContact CD2-CG 3.97Å; F154-L157 HydrophobicContact CB-CD1 4.36Å; F154-L157 HydrophobicContact CB-CD2 4.35Å; F154-L157 HydrophobicContact CD1-CD2 3.58Å; F154-L157 HydrophobicContact CE1-CD2 4.22Å; F154-L157 HydrophobicContact CG-CD2 4.28Å; E155-L157 WeakPolarHBondContact O-CD1 3.38Å; E155-L157 PolarHBondContact O-N 2.8Å; L157-D161 HydrophobicContact CB-CB 4.19Å; L157-D161 HydrophobicContact CG-CB 4.17Å; L157-L165 HydrophobicContact CD2-CD2 4.41Å
158T94.9Very high97.2Very high70 Ų7040.4 Ų40.443%0.42921%0.209SC..  trans-95.1164.3168.9630000110.5E160 D161 H162T158-E160 PolarHBondContact O-N 3.07Å; T158-D161 PolarHBondContact N-OD2 2.95Å; T158-D161 WeakPolarHBondContact O-CA 3.42Å; T158-D161 WeakPolarHBondContact O-CB 3.45Å; T158-D161 PolarHBondContact O-N 3.48Å; T158-D161 PolarHBondContact OG1-N 3.28Å; T158-D161 PolarHBondContact OG1-OD2 2.83Å; T158-H162 PolarHBondContact O-CD2 3.27Å; T158-H162 VanDerWaalsContact O-CD2 3.3Å; T158-H162 PolarHBondContact O-N 2.89Å
159D95.9Very high97.2Very high112 Ų11240.2 Ų40.260%0.59921%0.208SC*.Hα-helixtrans-53.6-38.2175.3-57.6-4.6000112.1H162 V163D159-H162 WeakPolarHBondContact O-CB 3.41Å; D159-H162 PolarHBondContact O-N 2.88Å; D159-V163 WeakPolarHBondContact O-CG2 3.32Å; D159-V163 PolarHBondContact O-N 3.13Å
160E95.7Very high97.1Very high110 Ų11041.6 Ų41.651%0.51422%0.215SC..Hα-helixtrans-66.3-38.1175.6-17861.8-151.300112T158 H162 V163 Q164T158-E160 PolarHBondContact O-N 3.07Å; E160-H162 VanDerWaalsContact C-N 3.3Å; E160-H162 PolarHBondContact O-N 3.12Å; E160-V163 PolarHBondContact O-N 3.43Å; E160-Q164 WeakPolarHBondContact O-CB 3.26Å; E160-Q164 VanDerWaalsContact O-CG 3.3Å; E160-Q164 WeakPolarHBondContact O-CG 3.17Å; E160-Q164 PolarHBondContact O-N 3.18Å; E160-Q164 PolarHBondContact OE1-NE2 3.21Å
161D96.7Very high97.1Very high5 Ų546 Ų463%0.02725%0.246CC..Hα-helixtrans-65.3-36.4175-60.6-48.6000111.3R108 L116 L157 T158 L165R108-D161 IonicContact CZ-OD1 3.52Å; R108-D161 IonicContact CZ-OD2 3.78Å; R108-D161 IonicContact NH1-OD1 2.68Å; R108-D161 PolarHBondContact NH1-OD1 3.5Å; R108-D161 IonicContact NH1-OD2 2.75Å; R108-D161 PolarHBondContact NH1-OD2 2.85Å; L116-D161 HydrophobicContact CD2-CB 4.45Å; L157-D161 HydrophobicContact CB-CB 4.19Å; L157-D161 HydrophobicContact CG-CB 4.17Å; T158-D161 PolarHBondContact N-OD2 2.95Å; T158-D161 WeakPolarHBondContact O-CA 3.42Å; T158-D161 WeakPolarHBondContact O-CB 3.45Å; T158-D161 PolarHBondContact O-N 3.48Å; T158-D161 PolarHBondContact OG1-N 3.28Å; T158-D161 PolarHBondContact OG1-OD2 2.83Å; D161-L165 VanDerWaalsContact O-CB 3.22Å; D161-L165 WeakPolarHBondContact O-CB 3.37Å; D161-L165 PolarHBondContact O-N 2.86Å
162H97.9Very high97.1Very high15 Ų1548.3 Ų48.37%0.06926%0.258CS..Hα-helixtrans-63.7-48.8174.8-79.4-74.4000111.7F154 T158 D159 E160 Q164 L165 V166 Y200 M205F154-H162 AromaticContact CD1-CE1 3.81Å; F154-H162 AromaticContact CD2-CE1 3.57Å; F154-H162 AromaticContact CE2-CE1 3.94Å; F154-H162 AromaticContact CG-CE1 3.48Å; F154-H162 VanDerWaalsContact CG-CE1 3.48Å; F154-H162 WeakPolarHBondContact CG-CE1 3.28Å; T158-H162 PolarHBondContact O-CD2 3.27Å; T158-H162 VanDerWaalsContact O-CD2 3.3Å; T158-H162 PolarHBondContact O-N 2.89Å; D159-H162 WeakPolarHBondContact O-CB 3.41Å; D159-H162 PolarHBondContact O-N 2.88Å; E160-H162 VanDerWaalsContact C-N 3.3Å; E160-H162 PolarHBondContact O-N 3.12Å; H162-Q164 PolarHBondContact O-N 3.44Å; H162-L165 PolarHBondContact O-N 3.27Å; H162-V166 WeakPolarHBondContact O-CG2 3.37Å; H162-V166 PolarHBondContact O-N 3.14Å; H162-Y200 AromaticContact ND1-CE1 3.56Å; H162-Y200 AromaticContact ND1-CZ 3.61Å; H162-Y200 PolarHBondContact ND1-OH 2.85Å; H162-M205 HydrophobicContact CB-CE 4.5Å; H162-M205 HydrophobicContact CB-CG 4.04Å; H162-M205 HydrophobicContact CB-SD 4.18Å
163V97.5Very high97.2Very high48 Ų4848.2 Ų48.229%0.29126%0.257SS..Hα-helixtrans-57.4-50.3176.5172.20000110.6D159 E160 L165 V166 D167 M205D159-V163 WeakPolarHBondContact O-CG2 3.32Å; D159-V163 PolarHBondContact O-N 3.13Å; E160-V163 PolarHBondContact O-N 3.43Å; V163-L165 VanDerWaalsContact C-N 3.33Å; V163-L165 PolarHBondContact O-N 2.72Å; V163-V166 PolarHBondContact O-N 3.24Å; V163-D167 WeakPolarHBondContact O-CB 3.43Å; V163-D167 PolarHBondContact O-N 2.76Å; V163-M205 HydrophobicContact CG2-CE 3.84Å; V163-M205 HydrophobicContact CG2-SD 4.2Å
164Q97.4Very high97.2Very high90 Ų9047.2 Ų47.242%0.42126%0.261SS..Hα-helixtrans-62.4-39.2179.9-71.5177.919.100112.8E160 H162 F168E160-Q164 WeakPolarHBondContact O-CB 3.26Å; E160-Q164 VanDerWaalsContact O-CG 3.3Å; E160-Q164 WeakPolarHBondContact O-CG 3.17Å; E160-Q164 PolarHBondContact O-N 3.18Å; E160-Q164 PolarHBondContact OE1-NE2 3.21Å; H162-Q164 PolarHBondContact O-N 3.44Å; Q164-F168 VanDerWaalsContact O-CB 3.28Å; Q164-F168 WeakPolarHBondContact O-CB 3.49Å; Q164-F168 PolarHBondContact O-N 3.13Å
165L98.3Very high97.2Very high8 Ų850.4 Ų50.44%0.04228%0.284CS..Hα-helixtrans-65.9-46.9177176.658.4000111.2I106 L116 V128 F154 L157 D161 H162 V163 F168 I169 Y200I106-L165 HydrophobicContact CD1-CD2 3.79Å; I106-L165 HydrophobicContact CG2-CD2 4.19Å; L116-L165 HydrophobicContact CD1-CB 3.88Å; L116-L165 HydrophobicContact CD1-CD1 4.18Å; L116-L165 HydrophobicContact CD1-CD2 3.88Å; L116-L165 HydrophobicContact CD1-CG 4.19Å; V128-L165 HydrophobicContact CG1-CD1 3.81Å; F154-L165 HydrophobicContact CE1-CD2 4.17Å; L157-L165 HydrophobicContact CD2-CD2 4.41Å; D161-L165 VanDerWaalsContact O-CB 3.22Å; D161-L165 WeakPolarHBondContact O-CB 3.37Å; D161-L165 PolarHBondContact O-N 2.86Å; H162-L165 PolarHBondContact O-N 3.27Å; V163-L165 VanDerWaalsContact C-N 3.33Å; V163-L165 PolarHBondContact O-N 2.72Å; L165-F168 PolarHBondContact O-N 3.37Å; L165-I169 HydrophobicContact CD1-CD1 3.7Å; L165-I169 HydrophobicContact CD1-CG1 4.05Å; L165-I169 HydrophobicContact CG-CD1 3.84Å; L165-I169 VanDerWaalsContact O-CG1 3.22Å; L165-I169 WeakPolarHBondContact O-CG1 3.39Å; L165-I169 PolarHBondContact O-N 2.89Å; L165-Y200 HydrophobicContact CD2-CE2 4.04Å; L165-Y200 HydrophobicContact CG-CE2 4.37Å
166V98.4Very high97.3Very high0 Ų050.7 Ų50.70%029%0.285CS..Hα-helixtrans-62.3-49.4178.4171.20000110.1H162 V163 F168 I169 L170 Y200 M205 L212H162-V166 WeakPolarHBondContact O-CG2 3.37Å; H162-V166 PolarHBondContact O-N 3.14Å; V163-V166 PolarHBondContact O-N 3.24Å; V166-F168 VanDerWaalsContact C-N 3.28Å; V166-F168 PolarHBondContact O-N 2.64Å; V166-I169 PolarHBondContact O-N 3.01Å; V166-I169 VanDerWaalsContact O-N 3.1Å; V166-L170 HydrophobicContact CG1-CD1 3.74Å; V166-L170 HydrophobicContact CG1-CG 3.93Å; V166-L170 WeakPolarHBondContact O-CB 3.22Å; V166-L170 VanDerWaalsContact O-CG 3.27Å; V166-L170 WeakPolarHBondContact O-CG 3.48Å; V166-L170 PolarHBondContact O-N 3.4Å; V166-Y200 HydrophobicContact CG2-CD2 4.36Å; V166-Y200 HydrophobicContact CG2-CE1 4.22Å; V166-Y200 HydrophobicContact CG2-CE2 3.84Å; V166-M205 HydrophobicContact CG2-CB 4.23Å; V166-M205 HydrophobicContact CG2-CG 4.06Å; V166-M205 HydrophobicContact CG2-SD 4.04Å; V166-L212 HydrophobicContact CG1-CD1 4.07Å; V166-L212 HydrophobicContact CG2-CD1 3.95Å
167D98.1Very high97.5Very high87 Ų8749 Ų4947%0.46527%0.272SS..Hα-helixtrans-56.7-42.7177.9-78.6-14.9000112.1V163 S171V163-D167 WeakPolarHBondContact O-CB 3.43Å; V163-D167 PolarHBondContact O-N 2.76Å; D167-S171 VanDerWaalsContact O-CB 3.26Å; D167-S171 WeakPolarHBondContact O-CB 3.17Å; D167-S171 PolarHBondContact O-N 2.94Å
168F98.6Very high97.6Very high49 Ų4947.9 Ų47.922%0.21527%0.266CS..Hα-helixtrans-60.3-50.1174.5168.5-108.6000112K129 L132 E133 Q164 L165 V166 S171 L172K129-F168 HydrophobicContact CB-CE1 4.18Å; K129-F168 HydrophobicContact CB-CZ 3.96Å; K129-F168 HydrophobicContact CD-CE2 4.06Å; K129-F168 HydrophobicContact CD-CZ 4.28Å; K129-F168 HydrophobicContact CG-CE1 4.29Å; K129-F168 HydrophobicContact CG-CE2 3.84Å; K129-F168 HydrophobicContact CG-CZ 3.57Å; L132-F168 HydrophobicContact CB-CE1 4.28Å; L132-F168 HydrophobicContact CD1-CE1 4.12Å; E133-F168 HydrophobicContact CG-CZ 4.3Å; Q164-F168 VanDerWaalsContact O-CB 3.28Å; Q164-F168 WeakPolarHBondContact O-CB 3.49Å; Q164-F168 PolarHBondContact O-N 3.13Å; L165-F168 PolarHBondContact O-N 3.37Å; V166-F168 VanDerWaalsContact C-N 3.28Å; V166-F168 PolarHBondContact O-N 2.64Å; F168-S171 PolarHBondContact O-N 2.85Å; F168-L172 HydrophobicContact CE1-CD2 4.2Å; F168-L172 HydrophobicContact CZ-CD2 3.83Å; F168-L172 VanDerWaalsContact O-CB 3.3Å; F168-L172 WeakPolarHBondContact O-CB 3.43Å; F168-L172 PolarHBondContact O-N 2.78Å
169I98.6Very high97.7Very high0 Ų047.6 Ų47.60%026%0.262CS..Hα-helixtrans-64.7-43.7-178.2-63.6168.6000110.9L132 L165 V166 S171 L172 F173 L198L132-I169 HydrophobicContact CD1-CD1 4.17Å; L132-I169 HydrophobicContact CD1-CG1 3.75Å; L165-I169 HydrophobicContact CD1-CD1 3.7Å; L165-I169 HydrophobicContact CD1-CG1 4.05Å; L165-I169 HydrophobicContact CG-CD1 3.84Å; L165-I169 VanDerWaalsContact O-CG1 3.22Å; L165-I169 WeakPolarHBondContact O-CG1 3.39Å; L165-I169 PolarHBondContact O-N 2.89Å; V166-I169 PolarHBondContact O-N 3.01Å; V166-I169 VanDerWaalsContact O-N 3.1Å; I169-S171 VanDerWaalsContact C-N 3.32Å; I169-S171 PolarHBondContact O-N 2.73Å; I169-L172 PolarHBondContact O-N 2.78Å; I169-F173 HydrophobicContact CG2-CD2 3.6Å; I169-F173 HydrophobicContact CG2-CE2 3.86Å; I169-F173 WeakPolarHBondContact O-CD2 3.46Å; I169-F173 PolarHBondContact O-N 2.79Å; I169-L198 HydrophobicContact CB-CD2 4.24Å; I169-L198 HydrophobicContact CD1-CD1 4.48Å; I169-L198 HydrophobicContact CG2-CD1 4.15Å; I169-L198 HydrophobicContact CG2-CD2 3.35Å; I169-L198 HydrophobicContact CG2-CG 4.39Å
170L98.4Very high97.6Very high28 Ų2843.4 Ų43.415%0.14724%0.242CC..Hα-helixtrans-63-39.8177.4-65.4-173.2000111.5V166 S174 L177 H209 Q211V166-L170 HydrophobicContact CG1-CD1 3.74Å; V166-L170 HydrophobicContact CG1-CG 3.93Å; V166-L170 WeakPolarHBondContact O-CB 3.22Å; V166-L170 VanDerWaalsContact O-CG 3.27Å; V166-L170 WeakPolarHBondContact O-CG 3.48Å; V166-L170 PolarHBondContact O-N 3.4Å; L170-S174 WeakPolarHBondContact O-CA 3.45Å; L170-S174 PolarHBondContact O-N 3.26Å; L170-L177 HydrophobicContact CD2-CD1 3.47Å; L170-L177 VanDerWaalsContact CD2-CD1 3.47Å; L170-H209 WeakPolarHBondContact CD1-ND1 3.49Å; L170-Q211 HydrophobicContact CD2-CB 3.64Å; L170-Q211 HydrophobicContact CD2-CG 3.99Å
171S98.5Very high97.5Very high97 Ų9744.4 Ų44.468%0.67825%0.246SC*.Hα-helixtrans-69-39.7175.6-1750000112.4D167 F168 I169D167-S171 VanDerWaalsContact O-CB 3.26Å; D167-S171 WeakPolarHBondContact O-CB 3.17Å; D167-S171 PolarHBondContact O-N 2.94Å; F168-S171 PolarHBondContact O-N 2.85Å; I169-S171 VanDerWaalsContact C-N 3.32Å; I169-S171 PolarHBondContact O-N 2.73Å
172L98.7Very high97.4Very high49 Ų4947.3 Ų47.326%0.25726%0.262SS..Hα-helixtrans-68-50.1-177178.465.3000111.8L132 E133 A136 F168 I169L132-L172 HydrophobicContact CB-CD2 3.68Å; E133-L172 HydrophobicContact CG-CD1 4.14Å; E133-L172 HydrophobicContact CG-CD2 4.49Å; A136-L172 HydrophobicContact CB-CD1 4Å; A136-L172 HydrophobicContact CB-CD2 4.34Å; A136-L172 HydrophobicContact CB-CG 4.11Å; F168-L172 HydrophobicContact CE1-CD2 4.2Å; F168-L172 HydrophobicContact CZ-CD2 3.83Å; F168-L172 VanDerWaalsContact O-CB 3.3Å; F168-L172 WeakPolarHBondContact O-CB 3.43Å; F168-L172 PolarHBondContact O-N 2.78Å; I169-L172 PolarHBondContact O-N 2.78Å
173F98.5Very high97.3Very high2 Ų250.4 Ų50.41%0.00928%0.282CS..Hα-helixtrans-88.2-24.3-177.7-63.9-64000112.7L132 A136 L139 I149 I169 T175 K176 L177 V196L132-F173 HydrophobicContact CB-CZ 4.48Å; L132-F173 HydrophobicContact CD2-CE2 4.48Å; L132-F173 HydrophobicContact CD2-CZ 4.38Å; A136-F173 HydrophobicContact CB-CD1 4.38Å; A136-F173 HydrophobicContact CB-CE1 3.88Å; L139-F173 HydrophobicContact CD1-CD1 3.99Å; L139-F173 HydrophobicContact CD1-CE1 3.76Å; I149-F173 HydrophobicContact CD1-CE2 3.77Å; I149-F173 HydrophobicContact CD1-CZ 3.75Å; I169-F173 HydrophobicContact CG2-CD2 3.6Å; I169-F173 HydrophobicContact CG2-CE2 3.86Å; I169-F173 WeakPolarHBondContact O-CD2 3.46Å; I169-F173 PolarHBondContact O-N 2.79Å; F173-T175 PolarHBondContact O-N 2.87Å; F173-K176 HydrophobicContact CB-CB 4.43Å; F173-K176 WeakPolarHBondContact O-CA 3.47Å; F173-K176 WeakPolarHBondContact O-CB 3.48Å; F173-K176 WeakPolarHBondContact O-CG 3.45Å; F173-K176 PolarHBondContact O-N 3.1Å; F173-L177 HydrophobicContact CB-CD1 4.16Å; F173-L177 HydrophobicContact CB-CD2 4.12Å; F173-L177 HydrophobicContact CB-CG 3.81Å; F173-V196 HydrophobicContact CB-CG2 4.33Å; F173-V196 HydrophobicContact CD1-CG2 3.67Å; F173-V196 HydrophobicContact CD2-CG1 4.34Å; F173-V196 HydrophobicContact CE1-CG2 4.1Å; F173-V196 HydrophobicContact CG-CB 4.47Å; F173-V196 HydrophobicContact CG-CG1 4.41Å; F173-V196 HydrophobicContact CG-CG2 3.95Å
174S96.9Very high97.3Very high75 Ų7548.2 Ų48.252%0.52427%0.269SS..G310 helixtrans47.3-120.1171.4-1700000112.4L170 K176 L177L170-S174 WeakPolarHBondContact O-CA 3.45Å; L170-S174 PolarHBondContact O-N 3.26Å; S174-K176 PolarHBondContact O-N 3.31Å; S174-K176 VanDerWaalsContact O-N 3.17Å; S174-L177 PolarHBondContact O-N 3.48Å
175T96.5Very high97.4Very high110 Ų11044.9 Ų44.968%0.67525%0.254SS*.G310 helixtrans-67.6-10.8-179.659.50000114.1F173 L177F173-T175 PolarHBondContact O-N 2.87Å; T175-L177 PolarHBondContact O-N 3.22Å
176K98.4Very high97.4Very high39 Ų3944.5 Ų44.517%0.1725%0.252CS..G310 helixtrans-74.2-9.6176.1-58178.3-174.5-73.10112.6D140 F173 S174 Q194 Q195 V196D140-K176 WeakPolarHBondContact OD1-CE 3.39Å; D140-K176 IonicContact OD1-NZ 2.78Å; D140-K176 PolarHBondContact OD1-NZ 2.99Å; F173-K176 HydrophobicContact CB-CB 4.43Å; F173-K176 WeakPolarHBondContact O-CA 3.47Å; F173-K176 WeakPolarHBondContact O-CB 3.48Å; F173-K176 WeakPolarHBondContact O-CG 3.45Å; F173-K176 PolarHBondContact O-N 3.1Å; S174-K176 PolarHBondContact O-N 3.31Å; S174-K176 VanDerWaalsContact O-N 3.17Å; K176-Q194 CarbonylContact O-C 3.56Å; K176-Q194 WeakPolarHBondContact O-CA 3.41Å; K176-Q195 HydrophobicContact CB-CB 4.33Å; K176-Q195 PolarHBondContact O-N 2.72Å; K176-V196 HydrophobicContact CB-CG2 4.37Å; K176-V196 PolarHBondContact O-N 2.88Å
177L98.5Very high97.4Very high9 Ų948.7 Ų48.75%0.04727%0.268CS..BIsolated β-bridgetrans-80.2133.5-177-71.4160.3000113L170 F173 S174 T175 Q194 V196 L198 Q211L170-L177 HydrophobicContact CD2-CD1 3.47Å; L170-L177 VanDerWaalsContact CD2-CD1 3.47Å; F173-L177 HydrophobicContact CB-CD1 4.16Å; F173-L177 HydrophobicContact CB-CD2 4.12Å; F173-L177 HydrophobicContact CB-CG 3.81Å; S174-L177 PolarHBondContact O-N 3.48Å; T175-L177 PolarHBondContact O-N 3.22Å; L177-Q194 PolarHBondContact O-NE2 3.37Å; L177-V196 WeakPolarHBondContact CA-O 3.13Å; L177-V196 HydrophobicContact CD2-CB 3.95Å; L177-V196 HydrophobicContact CD2-CG1 3.79Å; L177-L198 HydrophobicContact CD2-CB 4.02Å; L177-L198 HydrophobicContact CD2-CD2 4.22Å; L177-Q211 HydrophobicContact CB-CB 4.43Å; L177-Q211 HydrophobicContact CB-CG 4.34Å; L177-Q211 HydrophobicContact CD1-CB 4.37Å; L177-Q211 HydrophobicContact CD1-CG 4.38Å
178C97.9Very high97.4Very high2 Ų246.4 Ų46.41%0.01426%0.259CS..PPolyproline II helixtrans-81.3137.1168.9-63.50000110.5C189 V196 I197 W213C178-C189 VanDerWaalsContact SG-SG 3.68Å; C178-V196 PolarHBondContact N-O 3.41Å; C178-I197 HydrophobicContact CB-CG1 3.77Å; C178-W213 HydrophobicContact CB-CZ2 4.32Å; C178-W213 PolarHBondContact O-NE1 3.16Å
179L96.8Very high97.4Very high64 Ų6444.1 Ų44.134%0.33525%0.249SC..PPolyproline II helixtrans-80.3145.2176.8-52.5179.6000110.8Q181 D182 Q211 W213L179-Q181 PolarHBondContact O-N 3.13Å; L179-Q181 VanDerWaalsContact O-N 3.14Å; L179-D182 WeakPolarHBondContact CB-OD2 3.31Å; L179-D182 WeakPolarHBondContact O-CB 3.45Å; L179-D182 PolarHBondContact O-N 3.08Å; L179-D182 VanDerWaalsContact O-N 3.16Å; L179-Q211 HydrophobicContact CD2-CG 3.95Å; L179-W213 WeakPolarHBondContact O-CZ2 3.42Å
180S94.3Very high97.4Very high25 Ų2546.8 Ų46.818%0.17526%0.259CS..THydrogen-bonded Turntrans-71.1-8.7-174.856.70000115.3R210 L212 W213S180-R210 PolarHBondContact N-O 2.74Å; S180-R210 PolarHBondContact OG-O 3.33Å; S180-R210 VanDerWaalsContact OG-O 3.12Å; S180-L212 WeakPolarHBondContact CB-O 3.46Å; S180-L212 PolarHBondContact OG-O 2.84Å; S180-W213 VanDerWaalsContact CA-CE2 3.47Å
181Q92.6Very high97.3Very high131 Ų13150.3 Ų50.361%0.61229%0.286SS*.THydrogen-bonded Turntrans-94.7-13179.9-69.259.443.200111.3L179 R210L179-Q181 PolarHBondContact O-N 3.13Å; L179-Q181 VanDerWaalsContact O-N 3.14Å; Q181-R210 PolarHBondContact OE1-O 2.91Å
182D94Very high97.2Very high66 Ų6647.9 Ų47.935%0.35328%0.276SS..SBendtrans-80.8157.3180-64.2-26.9000110.9L179 P184 W213L179-D182 WeakPolarHBondContact CB-OD2 3.31Å; L179-D182 WeakPolarHBondContact O-CB 3.45Å; L179-D182 PolarHBondContact O-N 3.08Å; L179-D182 VanDerWaalsContact O-N 3.16Å; D182-P184 WeakPolarHBondContact O-CD 3.17Å; D182-W213 WeakPolarHBondContact O-CH2 3.06Å
183T96.6Very high97.1Very high80 Ų8047.4 Ų47.449%0.49128%0.284SS..  trans-100.191.9163.4-64.80000108.3P34 W36 T185P34-T183 HydrophobicContact CB-CG2 3.86Å; P34-T183 HydrophobicContact CG-CG2 3.82Å; W36-T183 HydrophobicContact CH2-CG2 3.75Å; W36-T183 HydrophobicContact CZ2-CG2 3.43Å; W36-T183 VanDerWaalsContact CZ2-CG2 3.43Å; T183-T185 PolarHBondContact O-N 3.41Å
184P97.6Very high97.1Very high2 Ų249 Ų491%0.01329%0.291CS..  trans-66.9130.4-176.227.9-36000109.8P34 L35 W36 D182 I197 W213 F245P34-P184 CarbonylContact C-O 3.22Å; P34-P184 WeakPolarHBondContact CA-O 3.37Å; L35-P184 HydrophobicContact CB-CG 4.49Å; L35-P184 HydrophobicContact CD1-CB 3.9Å; L35-P184 HydrophobicContact CD1-CG 4.28Å; L35-P184 HydrophobicContact CG-CB 4.24Å; L35-P184 HydrophobicContact CG-CG 4.49Å; L35-P184 WeakPolarHBondContact CG-O 3.32Å; L35-P184 PolarHBondContact N-O 3.23Å; W36-P184 HydrophobicContact CE3-CG 4.47Å; W36-P184 HydrophobicContact CZ3-CG 4.13Å; D182-P184 WeakPolarHBondContact O-CD 3.17Å; P184-I197 HydrophobicContact CB-CD1 4.16Å; P184-I197 HydrophobicContact CG-CD1 3.82Å; P184-W213 HydrophobicContact CG-CH2 3.8Å; P184-W213 HydrophobicContact CG-CZ2 4.14Å; P184-F245 HydrophobicContact CG-CE2 4.34Å; P184-F245 HydrophobicContact CG-CZ 4.09Å
185T98.6Very high97.2Very high19 Ų1945.7 Ų45.712%0.11727%0.267CS..BIsolated β-bridgetrans-122.1161.5167.264.80000107.2L31 D32 T183 R187 S188 C189L31-T185 WeakPolarHBondContact O-CB 3.33Å; D32-T185 WeakPolarHBondContact O-CG2 3.5Å; T183-T185 PolarHBondContact O-N 3.41Å; T185-R187 VanDerWaalsContact C-N 3.27Å; T185-R187 PolarHBondContact O-N 3.06Å; T185-S188 PolarHBondContact N-OG 3.32Å; T185-S188 PolarHBondContact O-N 3.45Å; T185-S188 PolarHBondContact O-OG 3.07Å; T185-S188 VanDerWaalsContact OG1-CB 3.29Å; T185-S188 WeakPolarHBondContact OG1-CB 3.29Å; T185-S188 PolarHBondContact OG1-N 2.73Å; T185-S188 PolarHBondContact OG1-OG 3.33Å; T185-C189 WeakPolarHBondContact O-CB 3.48Å; T185-C189 PolarHBondContact O-N 3.17Å; T185-C189 PolarHBondContact O-SG 3.09Å
186L98.7Very high97.3Very high0 Ų040.5 Ų40.50%024%0.235CC..Hα-helixtrans-60.3-42176.4-69.5173.5000111.2M23 L26 L31 L35 L38 V146 C189 W190M23-L186 HydrophobicContact CB-CD1 4.21Å; M23-L186 HydrophobicContact CB-CD2 3.9Å; M23-L186 HydrophobicContact CG-CD2 4.18Å; M23-L186 HydrophobicContact SD-CD2 3.79Å; L26-L186 HydrophobicContact CD1-CD1 3.63Å; L31-L186 HydrophobicContact CD2-CB 4.12Å; L31-L186 HydrophobicContact CD2-CD1 4.01Å; L31-L186 PolarHBondContact O-N 3.18Å; L31-L186 VanDerWaalsContact O-N 3.11Å; L35-L186 HydrophobicContact CD2-CD2 3.75Å; L35-L186 HydrophobicContact CD2-CG 3.8Å; L38-L186 HydrophobicContact CD1-CD1 4.18Å; L38-L186 HydrophobicContact CD1-CG 4.42Å; V146-L186 HydrophobicContact CG2-CD2 4.11Å; L186-C189 PolarHBondContact O-N 3.07Å; L186-W190 HydrophobicContact CB-CD2 4.48Å; L186-W190 HydrophobicContact CB-CH2 4.29Å; L186-W190 HydrophobicContact CB-CZ2 3.87Å; L186-W190 HydrophobicContact CD1-CZ2 4.29Å; L186-W190 HydrophobicContact CD2-CZ2 4.23Å; L186-W190 HydrophobicContact CG-CZ2 4.36Å; L186-W190 WeakPolarHBondContact O-CB 3.5Å; L186-W190 VanDerWaalsContact O-CD1 3.28Å; L186-W190 VanDerWaalsContact O-CD2 3.3Å; L186-W190 PolarHBondContact O-N 2.55Å
187R98.5Very high97.4Very high88 Ų8838.6 Ų38.633%0.33223%0.227SC..Hα-helixtrans-60.9-48.5178.1-169.3-178.9-54.9-77-0.5112E28 L31 D32 T185 W190 S191E28-R187 IonicContact OE1-CZ 3.27Å; E28-R187 VanDerWaalsContact OE1-CZ 3.27Å; E28-R187 IonicContact OE1-NH1 2.87Å; E28-R187 PolarHBondContact OE1-NH1 3.47Å; E28-R187 IonicContact OE1-NH2 2.75Å; E28-R187 PolarHBondContact OE1-NH2 3.04Å; L31-R187 HydrophobicContact CB-CB 4.26Å; L31-R187 PolarHBondContact O-N 2.65Å; D32-R187 VanDerWaalsContact CG-NE 3.3Å; D32-R187 VanDerWaalsContact OD1-CD 3.23Å; D32-R187 WeakPolarHBondContact OD1-CD 3.26Å; D32-R187 IonicContact OD1-NE 3.28Å; D32-R187 PolarHBondContact OD1-NE 2.78Å; D32-R187 IonicContact OD2-CZ 3.53Å; D32-R187 IonicContact OD2-NE 3.73Å; D32-R187 PolarHBondContact OD2-NE 3.01Å; D32-R187 IonicContact OD2-NH2 3.27Å; D32-R187 PolarHBondContact OD2-NH2 3.26Å; T185-R187 VanDerWaalsContact C-N 3.27Å; T185-R187 PolarHBondContact O-N 3.06Å; R187-W190 PolarHBondContact O-N 3.47Å; R187-S191 WeakPolarHBondContact O-CB 3.36Å; R187-S191 PolarHBondContact O-N 3.31Å; R187-S191 PolarHBondContact O-OG 3.02Å
188S98.1Very high97.4Very high40 Ų4038.2 Ų38.228%0.2823%0.225SC..Hα-helixtrans-62.6-46.3-179.967.10000111T185 W190 S191 G192T185-S188 PolarHBondContact N-OG 3.32Å; T185-S188 PolarHBondContact O-N 3.45Å; T185-S188 PolarHBondContact O-OG 3.07Å; T185-S188 VanDerWaalsContact OG1-CB 3.29Å; T185-S188 WeakPolarHBondContact OG1-CB 3.29Å; T185-S188 PolarHBondContact OG1-N 2.73Å; T185-S188 PolarHBondContact OG1-OG 3.33Å; S188-W190 PolarHBondContact O-N 3.21Å; S188-S191 PolarHBondContact O-N 2.9Å; S188-S191 PolarHBondContact O-OG 3.38Å; S188-G192 PolarHBondContact O-N 3.08Å
189C98.4Very high97.4Very high0 Ų038.1 Ų38.10%022%0.224CC..Hα-helixtrans-57.8-49.7178.1-71.70000111.5V146 C178 T185 L186 S191 G192 G193 Q194V146-C189 HydrophobicContact CG2-CB 3.77Å; C178-C189 VanDerWaalsContact SG-SG 3.68Å; T185-C189 WeakPolarHBondContact O-CB 3.48Å; T185-C189 PolarHBondContact O-N 3.17Å; T185-C189 PolarHBondContact O-SG 3.09Å; L186-C189 PolarHBondContact O-N 3.07Å; C189-S191 PolarHBondContact O-N 2.99Å; C189-G192 CarbonylContact O-C 3.5Å; C189-G192 PolarHBondContact O-N 3.27Å; C189-G193 PolarHBondContact O-N 3.09Å; C189-Q194 CarbonylContact C-O 3.58Å; C189-Q194 HydrophobicContact CB-CB 4.45Å; C189-Q194 WeakPolarHBondContact CB-O 3.4Å; C189-Q194 PolarHBondContact O-N 3.04Å
190W98.1Very high97.5Very high56 Ų5635 Ų3521%0.21221%0.208CC..Hα-helixtrans-64.5-40.7179.9-57.6-15.8000112.8L31 K144 L186 R187 S188 G192 G193L31-W190 HydrophobicContact CD1-CH2 4.4Å; L31-W190 HydrophobicContact CD1-CZ3 3.81Å; L31-W190 HydrophobicContact CD2-CH2 3.44Å; L31-W190 VanDerWaalsContact CD2-CH2 3.44Å; L31-W190 HydrophobicContact CD2-CZ2 4.36Å; L31-W190 HydrophobicContact CD2-CZ3 3.69Å; L31-W190 HydrophobicContact CG-CZ3 4.34Å; K144-W190 VanDerWaalsContact C-NE1 3.33Å; K144-W190 HydrophobicContact CB-CD2 4.38Å; K144-W190 HydrophobicContact CB-CZ2 3.99Å; K144-W190 HydrophobicContact CD-CZ3 4.48Å; K144-W190 HydrophobicContact CG-CD2 4.21Å; K144-W190 HydrophobicContact CG-CG 4.44Å; K144-W190 VanDerWaalsContact O-CE2 3.29Å; K144-W190 WeakPolarHBondContact O-CZ2 3.31Å; K144-W190 PolarHBondContact O-NE1 3.35Å; L186-W190 HydrophobicContact CB-CD2 4.48Å; L186-W190 HydrophobicContact CB-CH2 4.29Å; L186-W190 HydrophobicContact CB-CZ2 3.87Å; L186-W190 HydrophobicContact CD1-CZ2 4.29Å; L186-W190 HydrophobicContact CD2-CZ2 4.23Å; L186-W190 HydrophobicContact CG-CZ2 4.36Å; L186-W190 WeakPolarHBondContact O-CB 3.5Å; L186-W190 VanDerWaalsContact O-CD1 3.28Å; L186-W190 VanDerWaalsContact O-CD2 3.3Å; L186-W190 PolarHBondContact O-N 2.55Å; R187-W190 PolarHBondContact O-N 3.47Å; S188-W190 PolarHBondContact O-N 3.21Å; W190-G192 VanDerWaalsContact C-N 3.26Å; W190-G192 PolarHBondContact O-N 2.7Å; W190-G193 PolarHBondContact O-N 3.36Å
191S97.5Very high97.6Very high103 Ų10336.4 Ų36.472%0.7221%0.214SC*.Hα-helixtrans-64.8-31.8178.471.30000112.8R187 S188 C189R187-S191 WeakPolarHBondContact O-CB 3.36Å; R187-S191 PolarHBondContact O-N 3.31Å; R187-S191 PolarHBondContact O-OG 3.02Å; S188-S191 PolarHBondContact O-N 2.9Å; S188-S191 PolarHBondContact O-OG 3.38Å; C189-S191 PolarHBondContact O-N 2.99Å
192G96.4Very high97.8Very high45 Ų4532.1 Ų32.146%0.46420%0.195SC..Hα-helixtrans-89.6-3.2176.500000114.6S188 C189 W190 Q194S188-G192 PolarHBondContact O-N 3.08Å; C189-G192 CarbonylContact O-C 3.5Å; C189-G192 PolarHBondContact O-N 3.27Å; W190-G192 VanDerWaalsContact C-N 3.26Å; W190-G192 PolarHBondContact O-N 2.7Å; G192-Q194 PolarHBondContact O-N 3.14Å
193G97.3Very high97.9Very high40 Ų4034.8 Ų34.841%0.41221%0.209SC..THydrogen-bonded Turntrans63.822.2-170.700000113.7C189 W190C189-G193 PolarHBondContact O-N 3.09Å; W190-G193 PolarHBondContact O-N 3.36Å
194Q98.4Very high97.8Very high35 Ų3535.7 Ų35.716%0.16421%0.207CC..  trans-89.4139.8179.4-61170.4-56.800110.6K176 L177 C189 G192K176-Q194 CarbonylContact O-C 3.56Å; K176-Q194 WeakPolarHBondContact O-CA 3.41Å; L177-Q194 PolarHBondContact O-NE2 3.37Å; C189-Q194 CarbonylContact C-O 3.58Å; C189-Q194 HydrophobicContact CB-CB 4.45Å; C189-Q194 WeakPolarHBondContact CB-O 3.4Å; C189-Q194 PolarHBondContact O-N 3.04Å; G192-Q194 PolarHBondContact O-N 3.14Å
195Q98.6Very high97.7Very high6 Ų635.8 Ų35.83%0.02821%0.207CC..  trans-141.7-8.7-175.1-59-178.4-93.900113.6L139 H142 E145 V146 I147 K176L139-Q195 HydrophobicContact CD1-CB 4.43Å; L139-Q195 HydrophobicContact CD2-CB 4.09Å; L139-Q195 PolarHBondContact O-NE2 3.31Å; H142-Q195 PolarHBondContact O-NE2 3.33Å; E145-Q195 WeakPolarHBondContact O-CB 3.28Å; E145-Q195 PolarHBondContact O-NE2 3.32Å; V146-Q195 CarbonylContact C-O 3.49Å; V146-Q195 VanDerWaalsContact CA-O 3.28Å; V146-Q195 WeakPolarHBondContact CA-O 3.43Å; I147-Q195 PolarHBondContact N-O 3.24Å; K176-Q195 HydrophobicContact CB-CB 4.33Å; K176-Q195 PolarHBondContact O-N 2.72Å
196V98.8Very high97.5Very high0 Ų037.6 Ų37.60%021%0.214CC..EExtended strand (participates in β ladder)trans-128.5122.9-171.3-175.40000111.4L139 I147 I149 F173 K176 L177 C178L139-V196 HydrophobicContact CD1-CG2 3.39Å; I147-V196 HydrophobicContact CD1-CG2 4.26Å; I147-V196 HydrophobicContact CG1-CG1 4.48Å; I147-V196 HydrophobicContact CG1-CG2 3.99Å; I147-V196 WeakPolarHBondContact O-CA 3.39Å; I149-V196 HydrophobicContact CD1-CG1 3.88Å; I149-V196 HydrophobicContact CG1-CG1 4.31Å; F173-V196 HydrophobicContact CB-CG2 4.33Å; F173-V196 HydrophobicContact CD1-CG2 3.67Å; F173-V196 HydrophobicContact CD2-CG1 4.34Å; F173-V196 HydrophobicContact CE1-CG2 4.1Å; F173-V196 HydrophobicContact CG-CB 4.47Å; F173-V196 HydrophobicContact CG-CG1 4.41Å; F173-V196 HydrophobicContact CG-CG2 3.95Å; K176-V196 HydrophobicContact CB-CG2 4.37Å; K176-V196 PolarHBondContact O-N 2.88Å; L177-V196 WeakPolarHBondContact CA-O 3.13Å; L177-V196 HydrophobicContact CD2-CB 3.95Å; L177-V196 HydrophobicContact CD2-CG1 3.79Å; C178-V196 PolarHBondContact N-O 3.41Å
197I98.8Very high97.2Very high0 Ų042.5 Ų42.50%025%0.248CC..EExtended strand (participates in β ladder)trans-102.9120.6165.7-66.9170.5000107.3L35 V146 I147 I148 I149 C178 P184 W213 F245L35-I197 HydrophobicContact CD1-CD1 3.76Å; V146-I197 HydrophobicContact CG1-CD1 4.42Å; I147-I197 PolarHBondContact O-N 3.43Å; I148-I197 CarbonylContact C-O 3.53Å; I148-I197 WeakPolarHBondContact CA-O 3.3Å; I148-I197 HydrophobicContact CG1-CB 4.19Å; I148-I197 HydrophobicContact CG1-CD1 4.35Å; I148-I197 HydrophobicContact CG2-CB 4.42Å; I148-I197 HydrophobicContact CG2-CG2 4.17Å; I149-I197 PolarHBondContact N-O 2.89Å; C178-I197 HydrophobicContact CB-CG1 3.77Å; P184-I197 HydrophobicContact CB-CD1 4.16Å; P184-I197 HydrophobicContact CG-CD1 3.82Å; I197-W213 HydrophobicContact CG2-CD2 3.76Å; I197-W213 HydrophobicContact CG2-CE3 4.35Å; I197-W213 HydrophobicContact CG2-CG 3.86Å; I197-W213 HydrophobicContact CG2-CZ2 4.45Å; I197-F245 HydrophobicContact CD1-CE1 4.46Å; I197-F245 HydrophobicContact CD1-CE2 3.85Å; I197-F245 HydrophobicContact CD1-CZ 3.5Å; I197-F245 VanDerWaalsContact CD1-CZ 3.5Å; I197-F245 HydrophobicContact CG2-CE2 4.17Å
198L98.7Very high97.1Very high0 Ų043.7 Ų43.70%026%0.257CS..EExtended strand (participates in β ladder)trans-111.497.6-173.2-179.359.6000110.4I149 I169 L177 L212 W213I149-L198 HydrophobicContact CB-CD1 4.1Å; I149-L198 HydrophobicContact CG2-CD1 4.04Å; I169-L198 HydrophobicContact CB-CD2 4.24Å; I169-L198 HydrophobicContact CD1-CD1 4.48Å; I169-L198 HydrophobicContact CG2-CD1 4.15Å; I169-L198 HydrophobicContact CG2-CD2 3.35Å; I169-L198 HydrophobicContact CG2-CG 4.39Å; L177-L198 HydrophobicContact CD2-CB 4.02Å; L177-L198 HydrophobicContact CD2-CD2 4.22Å; L198-L212 HydrophobicContact CB-CD2 4.43Å; L198-L212 HydrophobicContact CD2-CD2 3.34Å; L198-L212 HydrophobicContact CG-CD2 3.71Å; L198-W213 WeakPolarHBondContact O-CB 3.19Å; L198-W213 PolarHBondContact O-N 3.31Å
199S98.6Very high97Very high0 Ų043.5 Ų43.50%025%0.251CS..EExtended strand (participates in β ladder)trans-82.2130.2170.7178.30000109.8I149 C151 W213 P214 K215 I216I149-S199 PolarHBondContact O-N 3Å; C151-S199 PolarHBondContact N-O 3.05Å; S199-W213 WeakPolarHBondContact CA-O 3.43Å; S199-P214 PolarHBondContact OG-O 3.14Å; S199-K215 WeakPolarHBondContact OG-CA 3.19Å; S199-I216 PolarHBondContact OG-N 3.37Å; S199-I216 VanDerWaalsContact OG-N 3.13Å
200Y98.6Very high96.9Very high0 Ų052.7 Ų52.70%029%0.286CS..EExtended strand (participates in β ladder)trans-135.5117.8-175-158.7-85000110.7C151 F154 H162 L165 V166 D202 M205 L212 W213C151-Y200 HydrophobicContact CB-CD2 3.62Å; C151-Y200 HydrophobicContact CB-CE2 3.97Å; C151-Y200 HydrophobicContact CB-CG 4.38Å; F154-Y200 HydrophobicContact CE1-CE1 4.39Å; F154-Y200 HydrophobicContact CE1-CE2 4.15Å; F154-Y200 AromaticContact CE1-CZ 3.89Å; F154-Y200 HydrophobicContact CE2-CD1 4.06Å; F154-Y200 AromaticContact CE2-CE1 3.78Å; F154-Y200 HydrophobicContact CE2-CE1 3.78Å; F154-Y200 AromaticContact CZ-CD1 3.93Å; F154-Y200 HydrophobicContact CZ-CD1 3.93Å; F154-Y200 HydrophobicContact CZ-CD2 4.03Å; F154-Y200 AromaticContact CZ-CE1 3.51Å; F154-Y200 HydrophobicContact CZ-CE1 3.51Å; F154-Y200 AromaticContact CZ-CE2 3.64Å; F154-Y200 HydrophobicContact CZ-CE2 3.64Å; F154-Y200 HydrophobicContact CZ-CG 4.17Å; F154-Y200 AromaticContact CZ-CZ 3.37Å; H162-Y200 AromaticContact ND1-CE1 3.56Å; H162-Y200 AromaticContact ND1-CZ 3.61Å; H162-Y200 PolarHBondContact ND1-OH 2.85Å; L165-Y200 HydrophobicContact CD2-CE2 4.04Å; L165-Y200 HydrophobicContact CG-CE2 4.37Å; V166-Y200 HydrophobicContact CG2-CD2 4.36Å; V166-Y200 HydrophobicContact CG2-CE1 4.22Å; V166-Y200 HydrophobicContact CG2-CE2 3.84Å; Y200-D202 HydrophobicContact CD1-CB 3.69Å; Y200-D202 HydrophobicContact CE1-CB 3.58Å; Y200-D202 PolarHBondContact O-N 3.45Å; Y200-M205 HydrophobicContact CD1-CB 4.07Å; Y200-M205 HydrophobicContact CD1-CG 4.48Å; Y200-M205 HydrophobicContact CE1-CB 4.04Å; Y200-M205 HydrophobicContact CE1-CG 3.95Å; Y200-L212 HydrophobicContact CD1-CD1 4.46Å; Y200-L212 HydrophobicContact CG-CD1 4.24Å; Y200-W213 PolarHBondContact N-O 3.02Å
201D97.3Very high96.9Very high54 Ų5453.1 Ų53.129%0.28929%0.291SS..SBendtrans-81.950.8-175.1-165.521.2000113.1C151 F154 K215C151-D201 PolarHBondContact O-N 2.95Å; F154-D201 HydrophobicContact CD2-CB 4.46Å; F154-D201 HydrophobicContact CE2-CB 4.02Å; D201-K215 HydrophobicContact CB-CB 4.38Å; D201-K215 HydrophobicContact CB-CG 4.16Å; D201-K215 VanDerWaalsContact OD1-CD 3.26Å; D201-K215 WeakPolarHBondContact OD1-CD 3.34Å; D201-K215 IonicContact OD1-NZ 3.9Å; D201-K215 VanDerWaalsContact OD2-CE 3.29Å; D201-K215 WeakPolarHBondContact OD2-CE 3.17Å; D201-K215 IonicContact OD2-NZ 3.87Å; D201-K215 PolarHBondContact OD2-NZ 2.95Å
202D97.3Very high96.9Very high40 Ų4048.2 Ų48.221%0.21426%0.256CS..  trans-142.8112.4171.5-176.8-89.9000109.6Y200 Q204 M205 E206Y200-D202 HydrophobicContact CD1-CB 3.69Å; Y200-D202 HydrophobicContact CE1-CB 3.58Å; Y200-D202 PolarHBondContact O-N 3.45Å; D202-Q204 VanDerWaalsContact C-N 3.26Å; D202-Q204 PolarHBondContact O-N 3.08Å; D202-Q204 WeakPolarHBondContact OD1-CB 3.43Å; D202-Q204 PolarHBondContact OD1-N 2.93Å; D202-Q204 VanDerWaalsContact OD1-N 3.13Å; D202-M205 HydrophobicContact CB-CB 4.25Å; D202-M205 HydrophobicContact CB-CG 4.24Å; D202-M205 PolarHBondContact O-N 3.19Å; D202-M205 WeakPolarHBondContact OD1-CG 3.46Å; D202-M205 PolarHBondContact OD1-N 2.84Å; D202-E206 WeakPolarHBondContact O-CB 3.43Å; D202-E206 PolarHBondContact O-N 2.98Å
203L94.6Very high97Very high123 Ų12346.4 Ų46.464%0.64424%0.236SC*.Hα-helixtrans-65.3-31-173.3-177.462.9000112.5C207L203-C207 WeakPolarHBondContact O-CB 3.39Å; L203-C207 PolarHBondContact O-N 2.64Å; L203-C207 PolarHBondContact O-SG 2.93Å; L203-C207 VanDerWaalsContact O-SG 3.36Å
204Q95Very high96.9Very high99 Ų9947.4 Ų47.446%0.46324%0.235SC..Hα-helixtrans-68.5-48.6179.7178.4176.8-2200110.3D202 C207 Q208D202-Q204 VanDerWaalsContact C-N 3.26Å; D202-Q204 PolarHBondContact O-N 3.08Å; D202-Q204 WeakPolarHBondContact OD1-CB 3.43Å; D202-Q204 PolarHBondContact OD1-N 2.93Å; D202-Q204 VanDerWaalsContact OD1-N 3.13Å; Q204-C207 PolarHBondContact O-N 3.29Å; Q204-Q208 VanDerWaalsContact O-CG 3.27Å; Q204-Q208 WeakPolarHBondContact O-CG 3.23Å; Q204-Q208 PolarHBondContact O-N 2.9Å
205M96.3Very high96.9Very high3 Ų350.5 Ų50.52%0.01525%0.248CC..Hα-helixtrans-61.5-45174.1-66.6-61.110900111H162 V163 V166 Y200 D202 C207 Q208 H209 L212H162-M205 HydrophobicContact CB-CE 4.5Å; H162-M205 HydrophobicContact CB-CG 4.04Å; H162-M205 HydrophobicContact CB-SD 4.18Å; V163-M205 HydrophobicContact CG2-CE 3.84Å; V163-M205 HydrophobicContact CG2-SD 4.2Å; V166-M205 HydrophobicContact CG2-CB 4.23Å; V166-M205 HydrophobicContact CG2-CG 4.06Å; V166-M205 HydrophobicContact CG2-SD 4.04Å; Y200-M205 HydrophobicContact CD1-CB 4.07Å; Y200-M205 HydrophobicContact CD1-CG 4.48Å; Y200-M205 HydrophobicContact CE1-CB 4.04Å; Y200-M205 HydrophobicContact CE1-CG 3.95Å; D202-M205 HydrophobicContact CB-CB 4.25Å; D202-M205 HydrophobicContact CB-CG 4.24Å; D202-M205 PolarHBondContact O-N 3.19Å; D202-M205 WeakPolarHBondContact OD1-CG 3.46Å; D202-M205 PolarHBondContact OD1-N 2.84Å; M205-C207 VanDerWaalsContact C-N 3.31Å; M205-C207 PolarHBondContact O-N 3.33Å; M205-Q208 VanDerWaalsContact CE-OE1 3.31Å; M205-Q208 PolarHBondContact O-N 3.02Å; M205-H209 PolarHBondContact O-CD2 2.98Å; M205-H209 VanDerWaalsContact O-CD2 3.3Å; M205-H209 PolarHBondContact O-N 3.34Å; M205-L212 HydrophobicContact CB-CD1 3.75Å
206E92.8Very high96.8Very high57 Ų5750.7 Ų50.727%0.26625%0.249SC..Hα-helixtrans-54.2-47.2177.8-173.1-164.9140.300111.8D202 Q208 H209 P214D202-E206 WeakPolarHBondContact O-CB 3.43Å; D202-E206 PolarHBondContact O-N 2.98Å; E206-Q208 VanDerWaalsContact C-N 3.26Å; E206-Q208 PolarHBondContact O-N 2.9Å; E206-H209 PolarHBondContact O-N 2.95Å; E206-P214 WeakPolarHBondContact OE2-CA 3.32Å
207C93.5Very high96.8Very high103 Ų10353.2 Ų53.270%0.69627%0.265SS*.Hα-helixtrans-68.2-24.4179.6-76.60000113.7L203 Q204 M205L203-C207 WeakPolarHBondContact O-CB 3.39Å; L203-C207 PolarHBondContact O-N 2.64Å; L203-C207 PolarHBondContact O-SG 2.93Å; L203-C207 VanDerWaalsContact O-SG 3.36Å; Q204-C207 PolarHBondContact O-N 3.29Å; M205-C207 VanDerWaalsContact C-N 3.31Å; M205-C207 PolarHBondContact O-N 3.33Å
208Q95.7Very high96.7Very high113 Ų11355.5 Ų55.553%0.52827%0.274SS..Hα-helixtrans-86.6-26.1-179-72.6176.8-1400113Q204 M205 E206Q204-Q208 VanDerWaalsContact O-CG 3.27Å; Q204-Q208 WeakPolarHBondContact O-CG 3.23Å; Q204-Q208 PolarHBondContact O-N 2.9Å; M205-Q208 VanDerWaalsContact CE-OE1 3.31Å; M205-Q208 PolarHBondContact O-N 3.02Å; E206-Q208 VanDerWaalsContact C-N 3.26Å; E206-Q208 PolarHBondContact O-N 2.9Å
209H96.7Very high96.6Very high36 Ų3657.1 Ų57.117%0.16728%0.28CS..  trans-127.8113.8-170.6-61.6-86000112.1L170 M205 E206 Q211 L212L170-H209 WeakPolarHBondContact CD1-ND1 3.49Å; M205-H209 PolarHBondContact O-CD2 2.98Å; M205-H209 VanDerWaalsContact O-CD2 3.3Å; M205-H209 PolarHBondContact O-N 3.34Å; E206-H209 PolarHBondContact O-N 2.95Å; H209-Q211 PolarHBondContact O-N 3.34Å; H209-Q211 VanDerWaalsContact O-N 3.13Å; H209-L212 HydrophobicContact CB-CB 4.39Å; H209-L212 HydrophobicContact CB-CD1 3.86Å; H209-L212 HydrophobicContact CB-CG 3.71Å; H209-L212 PolarHBondContact O-N 3.48Å
210R96.4Very high96.5Very high193 Ų19362 Ų6273%0.72830%0.3SS*.THydrogen-bonded Turntrans-65.4-17.4-179.5-58.6-174.7-172-172.32114.2S180 Q181 L212S180-R210 PolarHBondContact N-O 2.74Å; S180-R210 PolarHBondContact OG-O 3.33Å; S180-R210 VanDerWaalsContact OG-O 3.12Å; Q181-R210 PolarHBondContact OE1-O 2.91Å; R210-L212 VanDerWaalsContact C-N 3.3Å
211Q97.7Very high96.3Very high65 Ų6563.2 Ų63.230%0.30431%0.309SS..THydrogen-bonded Turntrans-77.9-18.3175.7-61.285.9-2000112.2L170 L177 L179 H209L170-Q211 HydrophobicContact CD2-CB 3.64Å; L170-Q211 HydrophobicContact CD2-CG 3.99Å; L177-Q211 HydrophobicContact CB-CB 4.43Å; L177-Q211 HydrophobicContact CB-CG 4.34Å; L177-Q211 HydrophobicContact CD1-CB 4.37Å; L177-Q211 HydrophobicContact CD1-CG 4.38Å; L179-Q211 HydrophobicContact CD2-CG 3.95Å; H209-Q211 PolarHBondContact O-N 3.34Å; H209-Q211 VanDerWaalsContact O-N 3.13Å
212L98.1Very high96.1Very high0 Ų065.6 Ų65.60%032%0.322CS..EExtended strand (participates in β ladder)trans-86.9129.8-179.7-59.3-172.6000110V166 S180 L198 Y200 M205 H209 R210V166-L212 HydrophobicContact CG1-CD1 4.07Å; V166-L212 HydrophobicContact CG2-CD1 3.95Å; S180-L212 WeakPolarHBondContact CB-O 3.46Å; S180-L212 PolarHBondContact OG-O 2.84Å; L198-L212 HydrophobicContact CB-CD2 4.43Å; L198-L212 HydrophobicContact CD2-CD2 3.34Å; L198-L212 HydrophobicContact CG-CD2 3.71Å; Y200-L212 HydrophobicContact CD1-CD1 4.46Å; Y200-L212 HydrophobicContact CG-CD1 4.24Å; M205-L212 HydrophobicContact CB-CD1 3.75Å; H209-L212 HydrophobicContact CB-CB 4.39Å; H209-L212 HydrophobicContact CB-CD1 3.86Å; H209-L212 HydrophobicContact CB-CG 3.71Å; H209-L212 PolarHBondContact O-N 3.48Å; R210-L212 VanDerWaalsContact C-N 3.3Å
213W97.8Very high96Very high8 Ų863.8 Ų63.83%0.0331%0.313CS..EExtended strand (participates in β ladder)trans-94.1148.4174.9-68.564.3000109.4W36 C178 L179 S180 D182 P184 I197 L198 S199 Y200 F245W36-W213 AromaticContact CZ3-CH2 3.95Å; W36-W213 HydrophobicContact CZ3-CH2 3.95Å; W36-W213 AromaticContact CZ3-CZ3 3.88Å; W36-W213 HydrophobicContact CZ3-CZ3 3.88Å; C178-W213 HydrophobicContact CB-CZ2 4.32Å; C178-W213 PolarHBondContact O-NE1 3.16Å; L179-W213 WeakPolarHBondContact O-CZ2 3.42Å; S180-W213 VanDerWaalsContact CA-CE2 3.47Å; D182-W213 WeakPolarHBondContact O-CH2 3.06Å; P184-W213 HydrophobicContact CG-CH2 3.8Å; P184-W213 HydrophobicContact CG-CZ2 4.14Å; I197-W213 HydrophobicContact CG2-CD2 3.76Å; I197-W213 HydrophobicContact CG2-CE3 4.35Å; I197-W213 HydrophobicContact CG2-CG 3.86Å; I197-W213 HydrophobicContact CG2-CZ2 4.45Å; L198-W213 WeakPolarHBondContact O-CB 3.19Å; L198-W213 PolarHBondContact O-N 3.31Å; S199-W213 WeakPolarHBondContact CA-O 3.43Å; Y200-W213 PolarHBondContact N-O 3.02Å; W213-F245 HydrophobicContact CE3-CD2 4.2Å; W213-F245 HydrophobicContact CE3-CE2 4.1Å; W213-F245 HydrophobicContact CH2-CE2 4.16Å; W213-F245 HydrophobicContact CZ3-CD2 4.11Å; W213-F245 AromaticContact CZ3-CE2 3.72Å; W213-F245 HydrophobicContact CZ3-CE2 3.72Å
214P96.4Very high95.9Very high61 Ų6159.4 Ų59.440%0.39629%0.291SS..PPolyproline II helixtrans-59.7161.9175.325.4-34.7000111.5S199 E206 I216S199-P214 PolarHBondContact OG-O 3.14Å; E206-P214 WeakPolarHBondContact OE2-CA 3.32Å; P214-I216 PolarHBondContact O-N 3.02Å; P214-I216 VanDerWaalsContact O-N 3.13Å
215K96.8Very high95.9Very high100 Ų10057.4 Ų57.444%0.43528%0.284SS..PPolyproline II helixtrans-51.2121.9173.1-171.4-163.6-165.9138.10110.2S199 D201 P217S199-K215 WeakPolarHBondContact OG-CA 3.19Å; D201-K215 HydrophobicContact CB-CB 4.38Å; D201-K215 HydrophobicContact CB-CG 4.16Å; D201-K215 VanDerWaalsContact OD1-CD 3.26Å; D201-K215 WeakPolarHBondContact OD1-CD 3.34Å; D201-K215 IonicContact OD1-NZ 3.9Å; D201-K215 VanDerWaalsContact OD2-CE 3.29Å; D201-K215 WeakPolarHBondContact OD2-CE 3.17Å; D201-K215 IonicContact OD2-NZ 3.87Å; D201-K215 PolarHBondContact OD2-NZ 2.95Å; K215-P217 WeakPolarHBondContact O-CD 3.47Å
216I98.1Very high95.9Very high10 Ų1058.5 Ų58.55%0.05129%0.291CS..PPolyproline II helixtrans-71.9123.6174-66.8170.6000108.6Y101 I148 S199 P214 Y218 F245 V247 I296Y101-I216 HydrophobicContact CE2-CD1 3.96Å; Y101-I216 HydrophobicContact CE2-CG2 4.43Å; I148-I216 HydrophobicContact CG2-CD1 3.52Å; S199-I216 PolarHBondContact OG-N 3.37Å; S199-I216 VanDerWaalsContact OG-N 3.13Å; P214-I216 PolarHBondContact O-N 3.02Å; P214-I216 VanDerWaalsContact O-N 3.13Å; I216-Y218 PolarHBondContact O-N 2.86Å; I216-F245 HydrophobicContact CD1-CB 3.93Å; I216-F245 HydrophobicContact CD1-CG 4.41Å; I216-F245 HydrophobicContact CG1-CB 3.98Å; I216-F245 HydrophobicContact CG2-CB 4.03Å; I216-V247 HydrophobicContact CG2-CG2 3.93Å; I216-I296 HydrophobicContact CG2-CD1 4.46Å
217P97.1Very high96.1Very high53 Ų5363.3 Ų63.334%0.34431%0.311SS..PPolyproline II helixtrans-59.6132.1176.2-24.134.6000111.4K215 P242 Y246 V247K215-P217 WeakPolarHBondContact O-CD 3.47Å; P217-P242 HydrophobicContact CG-CG 4.35Å; P217-Y246 WeakPolarHBondContact O-CA 3.17Å; P217-V247 PolarHBondContact O-N 3.02Å
218Y97.6Very high96.3Very high47 Ų4763.6 Ų63.618%0.18430%0.302CS..EExtended strand (participates in β ladder)trans-116.3113.4179.7-159.4-62.5000110.1H44 Y101 I216 Y220 V247 N251 C298H44-Y218 WeakPolarHBondContact CB-OH 3.21Å; Y101-Y218 HydrophobicContact CE1-CE2 4.35Å; I216-Y218 PolarHBondContact O-N 2.86Å; Y218-Y220 AromaticContact CD1-CD1 3.85Å; Y218-Y220 HydrophobicContact CD1-CD1 3.85Å; Y218-Y220 HydrophobicContact CD1-CG 4.37Å; Y218-Y220 HydrophobicContact CE1-CD1 4.4Å; Y218-V247 HydrophobicContact CD1-CB 4.47Å; Y218-V247 HydrophobicContact CD1-CG1 4.28Å; Y218-V247 HydrophobicContact CD2-CB 3.78Å; Y218-V247 HydrophobicContact CD2-CG1 3.75Å; Y218-V247 HydrophobicContact CD2-CG2 3.99Å; Y218-V247 HydrophobicContact CE1-CG1 4.07Å; Y218-V247 HydrophobicContact CE2-CB 4.12Å; Y218-V247 HydrophobicContact CE2-CG1 3.55Å; Y218-V247 HydrophobicContact CE2-CG2 4.38Å; Y218-V247 HydrophobicContact CG-CB 3.98Å; Y218-V247 HydrophobicContact CG-CG1 4.12Å; Y218-N251 WeakPolarHBondContact CE1-OD1 3.45Å; Y218-N251 PolarHBondContact OH-OD1 3.01Å; Y218-N251 VanDerWaalsContact OH-OD1 3.14Å; Y218-C298 HydrophobicContact CE2-CB 4.36Å; Y218-C298 WeakPolarHBondContact OH-CB 3.13Å
219W97.2Very high96.4Very high35 Ų3558.2 Ų58.213%0.13328%0.277CS..EExtended strand (participates in β ladder)trans-96.3110.4177.6-60.6-17.9000110.1Y232 L233 K236 P242 Y246 V247 G249W219-Y232 HydrophobicContact CB-CE1 4Å; W219-L233 HydrophobicContact CB-CD2 4.25Å; W219-K236 HydrophobicContact CB-CG 4.47Å; W219-K236 HydrophobicContact CD2-CB 3.88Å; W219-K236 HydrophobicContact CD2-CD 4.5Å; W219-K236 HydrophobicContact CD2-CG 4.14Å; W219-K236 HydrophobicContact CE3-CB 3.57Å; W219-K236 HydrophobicContact CE3-CG 4.3Å; W219-K236 HydrophobicContact CG-CB 4.46Å; W219-K236 HydrophobicContact CG-CG 4.23Å; W219-K236 HydrophobicContact CH2-CB 4.29Å; W219-K236 HydrophobicContact CZ3-CB 3.8Å; W219-P242 HydrophobicContact CZ2-CG 4.04Å; W219-Y246 HydrophobicContact CD2-CD2 4.07Å; W219-Y246 HydrophobicContact CD2-CE2 4.39Å; W219-Y246 AromaticContact CE3-CD2 3.71Å; W219-Y246 HydrophobicContact CE3-CD2 3.71Å; W219-Y246 AromaticContact CE3-CE2 3.57Å; W219-Y246 HydrophobicContact CE3-CE2 3.57Å; W219-Y246 AromaticContact CH2-CD2 3.98Å; W219-Y246 HydrophobicContact CH2-CD2 3.98Å; W219-Y246 AromaticContact CH2-CE2 3.86Å; W219-Y246 HydrophobicContact CH2-CE2 3.86Å; W219-Y246 HydrophobicContact CZ2-CD2 4.3Å; W219-Y246 AromaticContact CZ3-CD2 3.66Å; W219-Y246 HydrophobicContact CZ3-CD2 3.66Å; W219-Y246 AromaticContact CZ3-CE2 3.26Å; W219-Y246 HydrophobicContact CZ3-CE2 3.26Å; W219-V247 WeakPolarHBondContact CB-O 3.44Å; W219-V247 PolarHBondContact N-O 2.84Å; W219-G249 PolarHBondContact O-N 2.83Å
220Y95.8Very high96.5Very high103 Ų10358.3 Ų58.340%0.40428%0.278SS..  trans-135.1152.417169.8-73.7000109.6Y218 D222 Y232Y218-Y220 AromaticContact CD1-CD1 3.85Å; Y218-Y220 HydrophobicContact CD1-CD1 3.85Å; Y218-Y220 HydrophobicContact CD1-CG 4.37Å; Y218-Y220 HydrophobicContact CE1-CD1 4.4Å; Y220-D222 HydrophobicContact CD2-CB 4.2Å; Y220-D222 HydrophobicContact CE2-CB 3.92Å; Y220-Y232 WeakPolarHBondContact O-CE1 3.37Å; Y220-Y232 PolarHBondContact O-OH 2.98Å
221A94.8Very high96.6Very high24 Ų2452 Ų5220%0.19827%0.268CS..  trans-89.6-10.6-169.100000114.5S223 V229 Y232A221-S223 PolarHBondContact O-N 3.11Å; A221-V229 HydrophobicContact CB-CB 4.34Å; A221-V229 HydrophobicContact CB-CG2 4.06Å; A221-Y232 HydrophobicContact CB-CD1 3.75Å; A221-Y232 HydrophobicContact CB-CD2 4.48Å; A221-Y232 HydrophobicContact CB-CG 3.69Å
222D93.4Very high96.6Very high104 Ų10451.8 Ų51.856%0.55627%0.265SS*.  trans53.750-176.7-158.533000113.1Y220 T253Y220-D222 HydrophobicContact CD2-CB 4.2Å; Y220-D222 HydrophobicContact CE2-CB 3.92Å; D222-T253 VanDerWaalsContact OD1-CB 3.31Å; D222-T253 WeakPolarHBondContact OD1-CB 3.24Å; D222-T253 WeakPolarHBondContact OD1-CG2 3.34Å; D222-T253 PolarHBondContact OD1-OG1 3.12Å; D222-T253 VanDerWaalsContact OD1-OG1 3.08Å
223S94.2Very high96.5Very high3 Ų351.9 Ų51.92%0.02127%0.265CS..  trans-143.1147.5-173.31730000112.5A221 D225 E228 L252 T253A221-S223 PolarHBondContact O-N 3.11Å; S223-D225 PolarHBondContact OG-N 3.38Å; S223-E228 VanDerWaalsContact CB-OE2 3.32Å; S223-E228 WeakPolarHBondContact CB-OE2 3.08Å; S223-E228 WeakPolarHBondContact OG-CB 3.46Å; S223-E228 PolarHBondContact OG-OE2 3.05Å; S223-L252 WeakPolarHBondContact O-CA 3.31Å; S223-L252 WeakPolarHBondContact O-CD2 3.33Å; S223-T253 CarbonylContact C-O 3.31Å; S223-T253 PolarHBondContact O-N 2.91Å
224P93.4Very high96.5Very high30 Ų3055 Ų5520%0.19528%0.28CS..SBendtrans-83.1-6.9171.734-35.8000113.4T253 Y258 M270P224-T253 WeakPolarHBondContact CA-O 3Å; P224-T253 WeakPolarHBondContact CB-O 3.32Å; P224-T253 WeakPolarHBondContact CD-O 3.46Å; P224-Y258 HydrophobicContact CB-CD2 3.73Å; P224-Y258 HydrophobicContact CB-CE2 3.98Å; P224-Y258 HydrophobicContact CB-CG 4.21Å; P224-Y258 HydrophobicContact CG-CD2 4.01Å; P224-M270 HydrophobicContact CB-SD 4Å
225D94.9Very high96.5Very high58 Ų5857.2 Ų57.231%0.3129%0.285SS..  trans-96.7118.2179.6-174.3-9.9000111.5S223 K227 E228 V229S223-D225 PolarHBondContact OG-N 3.38Å; D225-K227 PolarHBondContact O-N 2.83Å; D225-K227 VanDerWaalsContact O-N 3.11Å; D225-K227 WeakPolarHBondContact OD1-CB 3.37Å; D225-K227 PolarHBondContact OD1-N 3.17Å; D225-E228 HydrophobicContact CB-CB 4.23Å; D225-E228 HydrophobicContact CB-CG 3.98Å; D225-E228 PolarHBondContact O-N 3.31Å; D225-V229 PolarHBondContact O-N 3.3Å; D225-V229 VanDerWaalsContact O-N 3.11Å
226P96.1Very high96.4Very high25 Ų2555.1 Ų55.116%0.16228%0.276CS..Hα-helixtrans-58.6-25.4176.122.2-33.2000114.3I230 A274 P277 L278P226-I230 VanDerWaalsContact O-CG1 3.28Å; P226-I230 WeakPolarHBondContact O-CG1 3.41Å; P226-I230 PolarHBondContact O-N 3.43Å; P226-A274 HydrophobicContact CB-CB 3.92Å; P226-A274 HydrophobicContact CG-CB 3.77Å; P226-P277 HydrophobicContact CB-CG 4.2Å; P226-P277 HydrophobicContact CG-CG 4.29Å; P226-L278 HydrophobicContact CB-CD1 4.34Å; P226-L278 HydrophobicContact CB-CD2 4.03Å; P226-L278 HydrophobicContact CB-CG 3.99Å
227K97.1Very high96.2Very high159 Ų15955.4 Ų55.469%0.69128%0.277SS*.Hα-helixtrans-70.1-38.8176-64.6176.2-176.8170.10111.6D225 I230 A231D225-K227 PolarHBondContact O-N 2.83Å; D225-K227 VanDerWaalsContact O-N 3.11Å; D225-K227 WeakPolarHBondContact OD1-CB 3.37Å; D225-K227 PolarHBondContact OD1-N 3.17Å; K227-I230 PolarHBondContact O-N 2.84Å; K227-A231 WeakPolarHBondContact O-CB 3.46Å; K227-A231 PolarHBondContact O-N 3.13Å
228E97.5Very high95.9Very high109 Ų10957 Ų5751%0.50929%0.289SS..Hα-helixtrans-67.5-39.8175.2-67.2-174.8172.900110.5S223 D225 I230 A231 Y232S223-E228 VanDerWaalsContact CB-OE2 3.32Å; S223-E228 WeakPolarHBondContact CB-OE2 3.08Å; S223-E228 WeakPolarHBondContact OG-CB 3.46Å; S223-E228 PolarHBondContact OG-OE2 3.05Å; D225-E228 HydrophobicContact CB-CB 4.23Å; D225-E228 HydrophobicContact CB-CG 3.98Å; D225-E228 PolarHBondContact O-N 3.31Å; E228-I230 PolarHBondContact O-N 3.18Å; E228-A231 PolarHBondContact O-N 2.96Å; E228-Y232 VanDerWaalsContact O-CB 3.28Å; E228-Y232 WeakPolarHBondContact O-CB 3.43Å; E228-Y232 PolarHBondContact O-N 3.09Å
229V97.8Very high95.6Very high0 Ų060.3 Ų60.30%031%0.306CS..Hα-helixtrans-55.6-50.9171.1176.50000111.4A221 D225 Y232 L233 L252 L278A221-V229 HydrophobicContact CB-CB 4.34Å; A221-V229 HydrophobicContact CB-CG2 4.06Å; D225-V229 PolarHBondContact O-N 3.3Å; D225-V229 VanDerWaalsContact O-N 3.11Å; V229-Y232 PolarHBondContact O-N 3.18Å; V229-L233 HydrophobicContact CG1-CD1 3.98Å; V229-L233 HydrophobicContact CG1-CG 4.49Å; V229-L233 VanDerWaalsContact O-CG 3.31Å; V229-L233 WeakPolarHBondContact O-CG 3.5Å; V229-L233 PolarHBondContact O-N 2.99Å; V229-L252 HydrophobicContact CG2-CD2 3.63Å; V229-L278 HydrophobicContact CB-CD2 4.16Å; V229-L278 HydrophobicContact CG1-CD2 3.88Å
230I98.1Very high95.1Very high38 Ų3859.9 Ų59.920%0.19531%0.312CS..Hα-helixtrans-62.3-46.1179.5-71.2165.5000111.2P226 K227 E228 Y232 L233 E234 P277 L278 W281P226-I230 VanDerWaalsContact O-CG1 3.28Å; P226-I230 WeakPolarHBondContact O-CG1 3.41Å; P226-I230 PolarHBondContact O-N 3.43Å; K227-I230 PolarHBondContact O-N 2.84Å; E228-I230 PolarHBondContact O-N 3.18Å; I230-Y232 VanDerWaalsContact C-N 3.34Å; I230-Y232 PolarHBondContact O-N 2.7Å; I230-L233 PolarHBondContact O-N 2.84Å; I230-E234 WeakPolarHBondContact O-CG 3.41Å; I230-E234 PolarHBondContact O-N 3.37Å; I230-P277 HydrophobicContact CD1-CB 4.3Å; I230-L278 HydrophobicContact CD1-CD2 4.41Å; I230-L278 HydrophobicContact CG1-CD2 4.11Å; I230-W281 HydrophobicContact CD1-CB 4.07Å; I230-W281 HydrophobicContact CG1-CB 4.04Å; I230-W281 HydrophobicContact CG1-CG 4.03Å; I230-W281 HydrophobicContact CG2-CG 4.22Å
231A98.1Very high94.9Very high61 Ų6157 Ų5750%0.50430%0.301SS..Hα-helixtrans-60.3-45.1-179.900000111.6K227 E228 E234 E235K227-A231 WeakPolarHBondContact O-CB 3.46Å; K227-A231 PolarHBondContact O-N 3.13Å; E228-A231 PolarHBondContact O-N 2.96Å; A231-E234 PolarHBondContact O-N 2.99Å; A231-E235 PolarHBondContact O-N 3.38Å
232Y98.1Very high94.7Very high60 Ų6057.5 Ų57.524%0.23530%0.302CS..Hα-helixtrans-61.1-46.2176.4172.6-97.4000112.3W219 Y220 A221 E228 V229 I230 E234 E235 K236W219-Y232 HydrophobicContact CB-CE1 4Å; Y220-Y232 WeakPolarHBondContact O-CE1 3.37Å; Y220-Y232 PolarHBondContact O-OH 2.98Å; A221-Y232 HydrophobicContact CB-CD1 3.75Å; A221-Y232 HydrophobicContact CB-CD2 4.48Å; A221-Y232 HydrophobicContact CB-CG 3.69Å; E228-Y232 VanDerWaalsContact O-CB 3.28Å; E228-Y232 WeakPolarHBondContact O-CB 3.43Å; E228-Y232 PolarHBondContact O-N 3.09Å; V229-Y232 PolarHBondContact O-N 3.18Å; I230-Y232 VanDerWaalsContact C-N 3.34Å; I230-Y232 PolarHBondContact O-N 2.7Å; Y232-E234 VanDerWaalsContact C-N 3.35Å; Y232-E234 PolarHBondContact O-N 2.88Å; Y232-E235 WeakPolarHBondContact O-CB 3.44Å; Y232-E235 PolarHBondContact O-N 3.33Å; Y232-K236 HydrophobicContact CD1-CG 4.39Å; Y232-K236 HydrophobicContact CE1-CG 3.92Å; Y232-K236 HydrophobicContact CE2-CD 4.41Å; Y232-K236 VanDerWaalsContact CE2-CE 3.48Å; Y232-K236 HydrophobicContact CE2-CG 4.09Å; Y232-K236 VanDerWaalsContact CZ-CE 3.43Å; Y232-K236 WeakPolarHBondContact O-CG 3.43Å; Y232-K236 PolarHBondContact O-N 3.21Å; Y232-K236 WeakPolarHBondContact OH-CE 3.41Å
233L97.4Very high94.4Very high1 Ų156.1 Ų56.11%0.00531%0.313CS..Hα-helixtrans-66.1-37.2179.6-69175.8000112W219 V229 I230 K237 L250 W281W219-L233 HydrophobicContact CB-CD2 4.25Å; V229-L233 HydrophobicContact CG1-CD1 3.98Å; V229-L233 HydrophobicContact CG1-CG 4.49Å; V229-L233 VanDerWaalsContact O-CG 3.31Å; V229-L233 WeakPolarHBondContact O-CG 3.5Å; V229-L233 PolarHBondContact O-N 2.99Å; I230-L233 PolarHBondContact O-N 2.84Å; L233-K237 WeakPolarHBondContact O-CB 3.17Å; L233-K237 WeakPolarHBondContact O-CD 3.49Å; L233-K237 WeakPolarHBondContact O-CG 3.47Å; L233-K237 PolarHBondContact O-N 3.35Å; L233-L250 HydrophobicContact CD1-CD2 3.89Å; L233-W281 HydrophobicContact CB-CH2 4.02Å; L233-W281 HydrophobicContact CB-CZ2 3.69Å; L233-W281 HydrophobicContact CD1-CE3 4.45Å; L233-W281 HydrophobicContact CD1-CH2 3.68Å; L233-W281 HydrophobicContact CD1-CZ2 4.08Å; L233-W281 HydrophobicContact CD1-CZ3 3.89Å; L233-W281 HydrophobicContact CG-CH2 4.42Å
234E96.8Very high94.4Very high75 Ų7558 Ų5835%0.3533%0.326SS..Hα-helixtrans-65.4-40.8172.7-73.7-56.5148.700112.4I230 A231 Y232 K237 S238 W281I230-E234 WeakPolarHBondContact O-CG 3.41Å; I230-E234 PolarHBondContact O-N 3.37Å; A231-E234 PolarHBondContact O-N 2.99Å; Y232-E234 VanDerWaalsContact C-N 3.35Å; Y232-E234 PolarHBondContact O-N 2.88Å; E234-K237 PolarHBondContact O-N 3.32Å; E234-K237 IonicContact OE1-NZ 3.32Å; E234-K237 PolarHBondContact OE1-NZ 3.3Å; E234-K237 IonicContact OE2-NZ 2.73Å; E234-K237 PolarHBondContact OE2-NZ 3.28Å; E234-S238 PolarHBondContact O-N 3.32Å; E234-W281 PolarHBondContact OE1-NE1 3.14Å
235E96.1Very high94.6Very high106 Ų10656.8 Ų56.850%0.49532%0.318SS..Hα-helixtrans-60-50.6174.7-169.4-168.4155.100110.8A231 Y232 K237 S238 Q239A231-E235 PolarHBondContact O-N 3.38Å; Y232-E235 WeakPolarHBondContact O-CB 3.44Å; Y232-E235 PolarHBondContact O-N 3.33Å; E235-K237 VanDerWaalsContact C-N 3.33Å; E235-K237 PolarHBondContact O-N 3.27Å; E235-S238 WeakPolarHBondContact O-CB 3.23Å; E235-S238 PolarHBondContact O-N 3.15Å; E235-S238 PolarHBondContact O-OG 3Å; E235-Q239 WeakPolarHBondContact O-CG 3.29Å; E235-Q239 PolarHBondContact O-N 3.09Å; E235-Q239 PolarHBondContact OE1-NE2 2.77Å; E235-Q239 VanDerWaalsContact OE1-NE2 3.07Å
236K95Very high94.8Very high56 Ų5654.1 Ų54.124%0.24330%0.303CS..Hα-helixtrans-59.3-42.8177.9-71.1-61.7-176.9-169.80112.5W219 Y232 S238 Q239W219-K236 HydrophobicContact CB-CG 4.47Å; W219-K236 HydrophobicContact CD2-CB 3.88Å; W219-K236 HydrophobicContact CD2-CD 4.5Å; W219-K236 HydrophobicContact CD2-CG 4.14Å; W219-K236 HydrophobicContact CE3-CB 3.57Å; W219-K236 HydrophobicContact CE3-CG 4.3Å; W219-K236 HydrophobicContact CG-CB 4.46Å; W219-K236 HydrophobicContact CG-CG 4.23Å; W219-K236 HydrophobicContact CH2-CB 4.29Å; W219-K236 HydrophobicContact CZ3-CB 3.8Å; Y232-K236 HydrophobicContact CD1-CG 4.39Å; Y232-K236 HydrophobicContact CE1-CG 3.92Å; Y232-K236 HydrophobicContact CE2-CD 4.41Å; Y232-K236 VanDerWaalsContact CE2-CE 3.48Å; Y232-K236 HydrophobicContact CE2-CG 4.09Å; Y232-K236 VanDerWaalsContact CZ-CE 3.43Å; Y232-K236 WeakPolarHBondContact O-CG 3.43Å; Y232-K236 PolarHBondContact O-N 3.21Å; Y232-K236 WeakPolarHBondContact OH-CE 3.41Å; K236-S238 VanDerWaalsContact C-N 3.25Å; K236-S238 PolarHBondContact O-N 2.81Å; K236-Q239 PolarHBondContact O-N 3.14Å; K236-Q239 VanDerWaalsContact O-N 3.16Å
237K92.9Very high94.9Very high17 Ų1752.9 Ų52.97%0.07430%0.295CS..Hα-helixtrans-59.3-35.8175-80.4169.564.9-138.70112.9L233 E234 E235 Q239 G240 W281 G292 V294L233-K237 WeakPolarHBondContact O-CB 3.17Å; L233-K237 WeakPolarHBondContact O-CD 3.49Å; L233-K237 WeakPolarHBondContact O-CG 3.47Å; L233-K237 PolarHBondContact O-N 3.35Å; E234-K237 PolarHBondContact O-N 3.32Å; E234-K237 IonicContact OE1-NZ 3.32Å; E234-K237 PolarHBondContact OE1-NZ 3.3Å; E234-K237 IonicContact OE2-NZ 2.73Å; E234-K237 PolarHBondContact OE2-NZ 3.28Å; E235-K237 VanDerWaalsContact C-N 3.33Å; E235-K237 PolarHBondContact O-N 3.27Å; K237-Q239 VanDerWaalsContact C-N 3.32Å; K237-G240 PolarHBondContact O-N 2.8Å; K237-W281 HydrophobicContact CD-CZ2 3.89Å; K237-G292 WeakPolarHBondContact CE-O 3.31Å; K237-G292 PolarHBondContact O-N 3Å; K237-V294 HydrophobicContact CD-CG1 4.48Å
238S91.6Very high94.9Very high86 Ų8645.3 Ų45.360%0.60126%0.262SS*.Hα-helixtrans-71-26.9178.980.10000113.3E234 E235 K236 G240E234-S238 PolarHBondContact O-N 3.32Å; E235-S238 WeakPolarHBondContact O-CB 3.23Å; E235-S238 PolarHBondContact O-N 3.15Å; E235-S238 PolarHBondContact O-OG 3Å; K236-S238 VanDerWaalsContact C-N 3.25Å; K236-S238 PolarHBondContact O-N 2.81Å; S238-G240 PolarHBondContact O-N 3.3Å
239Q91.3Very high95Very high116 Ų11640.1 Ų40.154%0.54224%0.238SC..THydrogen-bonded Turntrans-77.8-5.5179-66.5170.64.500113.1E235 K236 K237E235-Q239 WeakPolarHBondContact O-CG 3.29Å; E235-Q239 PolarHBondContact O-N 3.09Å; E235-Q239 PolarHBondContact OE1-NE2 2.77Å; E235-Q239 VanDerWaalsContact OE1-NE2 3.07Å; K236-Q239 PolarHBondContact O-N 3.14Å; K236-Q239 VanDerWaalsContact O-N 3.16Å; K237-Q239 VanDerWaalsContact C-N 3.32Å
240G87.4Confident94.9Very high26 Ų2640.2 Ų40.227%0.26824%0.238SC..  trans98162.9-175.700000112.5K237 S238K237-G240 PolarHBondContact O-N 2.8Å; S238-G240 PolarHBondContact O-N 3.3Å
241R90.3Very high94.7Very high42 Ų4238.5 Ų38.516%0.15823%0.23CC..  trans-103.6151.1-179.462.1166.7-67.9163.86111.8W36 S244 Y246 G288W36-R241 PolarHBondContact O-NH1 3.49Å; W36-R241 VanDerWaalsContact O-NH1 3.09Å; W36-R241 PolarHBondContact O-NH2 2.89Å; R241-S244 PolarHBondContact NH2-O 3.13Å; R241-Y246 HydrophobicContact CB-CD1 4.47Å; R241-Y246 HydrophobicContact CB-CE1 3.84Å; R241-G288 PolarHBondContact NH1-O 3.1Å
242P91.3Very high94.5Very high36 Ų3635.8 Ų35.823%0.23421%0.207CC..  trans-56.9151.6166.1-25.237000111.5P217 W219 S244 Y246P217-P242 HydrophobicContact CG-CG 4.35Å; W219-P242 HydrophobicContact CZ2-CG 4.04Å; P242-S244 PolarHBondContact O-N 3.13Å; P242-Y246 HydrophobicContact CG-CD1 4.42Å; P242-Y246 HydrophobicContact CG-CG 4.15Å
243G87.9Confident94.1Very high75 Ų7534.6 Ų34.677%0.77321%0.206SC*.SBendtrans-71.4-7.6178.500000114.8
244S93.8Very high93.6Very high43 Ų4336.5 Ų36.530%0.30122%0.215SC..SBendtrans-129.8-157.4179.3-169.90000110.2R241 P242R241-S244 PolarHBondContact NH2-O 3.13Å; P242-S244 PolarHBondContact O-N 3.13Å
245F97.8Very high93.2Very high4 Ų436.5 Ų36.52%0.01822%0.217CC..  trans-56.3143.8175.7-62.4-73.4000111.9L35 W36 I40 I148 P184 I197 W213 I216 N295 I296L35-F245 HydrophobicContact CB-CE1 3.73Å; L35-F245 HydrophobicContact CB-CZ 3.76Å; W36-F245 HydrophobicContact CB-CD1 3.89Å; W36-F245 HydrophobicContact CB-CE1 4.06Å; W36-F245 HydrophobicContact CB-CG 4.23Å; W36-F245 HydrophobicContact CE3-CD2 4.11Å; W36-F245 AromaticContact CE3-CE2 3.69Å; W36-F245 HydrophobicContact CE3-CE2 3.69Å; W36-F245 AromaticContact CE3-CZ 3.92Å; W36-F245 HydrophobicContact CE3-CZ 3.92Å; W36-F245 HydrophobicContact CZ3-CE2 4.25Å; I40-F245 HydrophobicContact CD1-CE1 4.46Å; I148-F245 HydrophobicContact CD1-CD1 3.75Å; I148-F245 HydrophobicContact CD1-CE1 3.63Å; I148-F245 HydrophobicContact CD1-CZ 4.29Å; P184-F245 HydrophobicContact CG-CE2 4.34Å; P184-F245 HydrophobicContact CG-CZ 4.09Å; I197-F245 HydrophobicContact CD1-CE1 4.46Å; I197-F245 HydrophobicContact CD1-CE2 3.85Å; I197-F245 HydrophobicContact CD1-CZ 3.5Å; I197-F245 VanDerWaalsContact CD1-CZ 3.5Å; I197-F245 HydrophobicContact CG2-CE2 4.17Å; W213-F245 HydrophobicContact CE3-CD2 4.2Å; W213-F245 HydrophobicContact CE3-CE2 4.1Å; W213-F245 HydrophobicContact CH2-CE2 4.16Å; W213-F245 HydrophobicContact CZ3-CD2 4.11Å; W213-F245 AromaticContact CZ3-CE2 3.72Å; W213-F245 HydrophobicContact CZ3-CE2 3.72Å; I216-F245 HydrophobicContact CD1-CB 3.93Å; I216-F245 HydrophobicContact CD1-CG 4.41Å; I216-F245 HydrophobicContact CG1-CB 3.98Å; I216-F245 HydrophobicContact CG2-CB 4.03Å; F245-N295 WeakPolarHBondContact CA-OD1 3.34Å; F245-N295 WeakPolarHBondContact CD1-OD1 3.43Å; F245-I296 HydrophobicContact CB-CD1 4.13Å; F245-I296 HydrophobicContact CD1-CD1 4.11Å
246Y97.9Very high92.5Very high1 Ų134.9 Ų34.90%0.00422%0.222CC..  trans-158.1155.1169.378.3-84.4000109.6P217 W219 R241 P242 R293 V294 N295 I296P217-Y246 WeakPolarHBondContact O-CA 3.17Å; W219-Y246 HydrophobicContact CD2-CD2 4.07Å; W219-Y246 HydrophobicContact CD2-CE2 4.39Å; W219-Y246 AromaticContact CE3-CD2 3.71Å; W219-Y246 HydrophobicContact CE3-CD2 3.71Å; W219-Y246 AromaticContact CE3-CE2 3.57Å; W219-Y246 HydrophobicContact CE3-CE2 3.57Å; W219-Y246 AromaticContact CH2-CD2 3.98Å; W219-Y246 HydrophobicContact CH2-CD2 3.98Å; W219-Y246 AromaticContact CH2-CE2 3.86Å; W219-Y246 HydrophobicContact CH2-CE2 3.86Å; W219-Y246 HydrophobicContact CZ2-CD2 4.3Å; W219-Y246 AromaticContact CZ3-CD2 3.66Å; W219-Y246 HydrophobicContact CZ3-CD2 3.66Å; W219-Y246 AromaticContact CZ3-CE2 3.26Å; W219-Y246 HydrophobicContact CZ3-CE2 3.26Å; R241-Y246 HydrophobicContact CB-CD1 4.47Å; R241-Y246 HydrophobicContact CB-CE1 3.84Å; P242-Y246 HydrophobicContact CG-CD1 4.42Å; P242-Y246 HydrophobicContact CG-CG 4.15Å; Y246-R293 PolarHBondContact OH-O 2.85Å; Y246-V294 VanDerWaalsContact OH-CA 3.28Å; Y246-V294 WeakPolarHBondContact OH-CA 3.45Å; Y246-N295 HydrophobicContact CD1-CB 3.93Å; Y246-N295 HydrophobicContact CE1-CB 3.78Å; Y246-N295 PolarHBondContact N-OD1 2.78Å; Y246-I296 WeakPolarHBondContact O-CB 3.43Å; Y246-I296 PolarHBondContact O-N 3.06Å; Y246-I296 VanDerWaalsContact O-N 3.12Å
247V98.6Very high91.9Very high0 Ų041.1 Ų41.10%024%0.244CC..EExtended strand (participates in β ladder)trans-109.8133.4-176.7-176.50000110.9Y101 I216 P217 Y218 W219 I296 C298Y101-V247 HydrophobicContact CD1-CG2 4.43Å; Y101-V247 HydrophobicContact CD2-CG2 4.38Å; Y101-V247 HydrophobicContact CE1-CG2 3.85Å; Y101-V247 HydrophobicContact CE2-CG2 3.81Å; I216-V247 HydrophobicContact CG2-CG2 3.93Å; P217-V247 PolarHBondContact O-N 3.02Å; Y218-V247 HydrophobicContact CD1-CB 4.47Å; Y218-V247 HydrophobicContact CD1-CG1 4.28Å; Y218-V247 HydrophobicContact CD2-CB 3.78Å; Y218-V247 HydrophobicContact CD2-CG1 3.75Å; Y218-V247 HydrophobicContact CD2-CG2 3.99Å; Y218-V247 HydrophobicContact CE1-CG1 4.07Å; Y218-V247 HydrophobicContact CE2-CB 4.12Å; Y218-V247 HydrophobicContact CE2-CG1 3.55Å; Y218-V247 HydrophobicContact CE2-CG2 4.38Å; Y218-V247 HydrophobicContact CG-CB 3.98Å; Y218-V247 HydrophobicContact CG-CG1 4.12Å; W219-V247 WeakPolarHBondContact CB-O 3.44Å; W219-V247 PolarHBondContact N-O 2.84Å; V247-I296 CarbonylContact C-O 3.54Å; V247-I296 WeakPolarHBondContact CA-O 3.43Å; V247-I296 HydrophobicContact CB-CB 4.46Å; V247-I296 HydrophobicContact CB-CG2 4.42Å; V247-I296 HydrophobicContact CG1-CG2 4.16Å; V247-I296 HydrophobicContact CG2-CB 4Å; V247-I296 HydrophobicContact CG2-CD1 4.15Å; V247-I296 HydrophobicContact CG2-CG2 3.88Å; V247-C298 HydrophobicContact CG1-CB 3.71Å; V247-C298 WeakPolarHBondContact CG1-SG 3.44Å
248S98.3Very high91.6Very high0 Ų042.5 Ų42.50%025%0.249CC..EExtended strand (participates in β ladder)trans-100.4104.4162.1-57.50000108.9I296 V297 C298S248-I296 PolarHBondContact N-O 2.84Å; S248-V297 WeakPolarHBondContact O-CA 3.21Å; S248-C298 PolarHBondContact O-N 2.97Å
249G97.9Very high91.4Very high0 Ų040.5 Ų40.50%023%0.231CC..EExtended strand (participates in β ladder)trans-83.8121.3-179.400000112.1W219 N251W219-G249 PolarHBondContact O-N 2.83Å; G249-N251 VanDerWaalsContact C-N 3.27Å; G249-N251 VanDerWaalsContact CA-OD1 3.28Å; G249-N251 WeakPolarHBondContact CA-OD1 3.29Å
250L97.2Very high90.9Very high1 Ų141.7 Ų41.71%0.00524%0.24CC..  trans-87.50.4170-54.7179.5000112.3L233 L252 L278 W281 T282 V297 C298 C299 F307L233-L250 HydrophobicContact CD1-CD2 3.89Å; L250-L252 PolarHBondContact O-N 2.81Å; L250-L278 HydrophobicContact CB-CD1 4.45Å; L250-L278 HydrophobicContact CD2-CD2 4.36Å; L250-W281 HydrophobicContact CD2-CE3 3.78Å; L250-W281 HydrophobicContact CD2-CZ3 3.71Å; L250-T282 WeakPolarHBondContact CD1-OG1 3.38Å; L250-V297 HydrophobicContact CD1-CG1 3.82Å; L250-V297 HydrophobicContact CD2-CG1 4.37Å; L250-V297 HydrophobicContact CG-CG1 3.88Å; L250-C298 VanDerWaalsContact CB-O 3.3Å; L250-C298 WeakPolarHBondContact CB-O 3.26Å; L250-C298 WeakPolarHBondContact CG-O 3.39Å; L250-C298 PolarHBondContact N-O 2.98Å; L250-C299 HydrophobicContact CB-CB 4.45Å; L250-C299 HydrophobicContact CD1-CB 4.36Å; L250-F307 HydrophobicContact CD1-CD2 4.2Å; L250-F307 HydrophobicContact CD1-CE2 3.73Å
251N94.1Very high90.9Very high3 Ų346 Ų462%0.01626%0.257CS..  trans-61.1134.9179.653.6-76.6000110.3H44 Y218 G249H44-N251 HydrophobicContact CB-CB 4.33Å; Y218-N251 WeakPolarHBondContact CE1-OD1 3.45Å; Y218-N251 PolarHBondContact OH-OD1 3.01Å; Y218-N251 VanDerWaalsContact OH-OD1 3.14Å; G249-N251 VanDerWaalsContact C-N 3.27Å; G249-N251 VanDerWaalsContact CA-OD1 3.28Å; G249-N251 WeakPolarHBondContact CA-OD1 3.29Å
252L93.9Very high90.8Very high4 Ų446.5 Ų46.52%0.02126%0.261CS..  trans-91.1144.8170.6-67.7174.5000108.3S223 V229 L250 M270 A274S223-L252 WeakPolarHBondContact O-CA 3.31Å; S223-L252 WeakPolarHBondContact O-CD2 3.33Å; V229-L252 HydrophobicContact CG2-CD2 3.63Å; L250-L252 PolarHBondContact O-N 2.81Å; L252-M270 HydrophobicContact CB-CE 3.64Å; L252-M270 HydrophobicContact CB-SD 4.46Å; L252-M270 HydrophobicContact CD1-CE 4.33Å; L252-M270 HydrophobicContact CD1-CG 3.83Å; L252-M270 HydrophobicContact CD1-SD 4.45Å; L252-A274 HydrophobicContact CD1-CB 3.46Å; L252-A274 VanDerWaalsContact CD1-CB 3.46Å
253T89.9Confident90.6Very high34 Ų3448.8 Ų48.821%0.20928%0.276CS..  trans-111.2125.1172.6-49.50000109.1D222 S223 P224D222-T253 VanDerWaalsContact OD1-CB 3.31Å; D222-T253 WeakPolarHBondContact OD1-CB 3.24Å; D222-T253 WeakPolarHBondContact OD1-CG2 3.34Å; D222-T253 PolarHBondContact OD1-OG1 3.12Å; D222-T253 VanDerWaalsContact OD1-OG1 3.08Å; S223-T253 CarbonylContact C-O 3.31Å; S223-T253 PolarHBondContact O-N 2.91Å; P224-T253 WeakPolarHBondContact CA-O 3Å; P224-T253 WeakPolarHBondContact CB-O 3.32Å; P224-T253 WeakPolarHBondContact CD-O 3.46Å
254E86.8Confident90.5Very high41 Ų4153 Ų5319%0.19228%0.28CS..  trans-72.2145.5168.876.9-70.8176.800111.1W83 I259 L267 M270W83-E254 HydrophobicContact CB-CG 4.18Å; W83-E254 HydrophobicContact CD2-CB 4.46Å; W83-E254 HydrophobicContact CD2-CG 4.11Å; W83-E254 HydrophobicContact CE3-CB 3.69Å; W83-E254 HydrophobicContact CE3-CG 3.72Å; W83-E254 HydrophobicContact CG-CG 4.32Å; W83-E254 HydrophobicContact CZ3-CB 3.91Å; W83-E254 HydrophobicContact CZ3-CG 4.44Å; E254-I259 HydrophobicContact CB-CD1 4.48Å; E254-I259 HydrophobicContact CB-CG1 4.13Å; E254-I259 HydrophobicContact CG-CD1 3.57Å; E254-I259 HydrophobicContact CG-CG1 3.7Å; E254-L267 WeakPolarHBondContact OE2-CD1 3.31Å; E254-M270 HydrophobicContact CB-CE 4.37Å
255D86.9Confident90.4Very high75 Ų7552.9 Ų52.940%0.40127%0.274SS..  trans-110.9166.51687339.3000111R257 Y258 I259D255-R257 PolarHBondContact O-N 3.38Å; D255-R257 VanDerWaalsContact OD1-CA 3.29Å; D255-R257 WeakPolarHBondContact OD1-CA 3.41Å; D255-R257 VanDerWaalsContact OD1-CB 3.23Å; D255-R257 WeakPolarHBondContact OD1-CB 3.37Å; D255-R257 PolarHBondContact OD1-N 3.36Å; D255-Y258 WeakPolarHBondContact O-CB 3.45Å; D255-Y258 PolarHBondContact O-N 2.85Å; D255-Y258 VanDerWaalsContact O-N 3.09Å; D255-Y258 PolarHBondContact OD1-N 3.49Å; D255-I259 WeakPolarHBondContact O-CG1 3.32Å; D255-I259 PolarHBondContact O-N 3.22Å
256A81.4Confident90.2Very high73 Ų7354.8 Ų54.860%0.60329%0.285SS*.Hα-helixtrans-57.2-34.1-179.500000112.7L260A256-L260 WeakPolarHBondContact O-CB 3.44Å; A256-L260 WeakPolarHBondContact O-CD1 3.4Å; A256-L260 WeakPolarHBondContact O-CG 3.49Å; A256-L260 PolarHBondContact O-N 3.42Å; A256-L260 VanDerWaalsContact O-N 3.13Å
257R83.6Confident90Very high187 Ų18754.9 Ų54.971%0.70629%0.285SS*.Hα-helixtrans-70.7-41.4178.2-178.7-175.4-179.6-175.7-0.6110.5D255 L260 L261D255-R257 PolarHBondContact O-N 3.38Å; D255-R257 VanDerWaalsContact OD1-CA 3.29Å; D255-R257 WeakPolarHBondContact OD1-CA 3.41Å; D255-R257 VanDerWaalsContact OD1-CB 3.23Å; D255-R257 WeakPolarHBondContact OD1-CB 3.37Å; D255-R257 PolarHBondContact OD1-N 3.36Å; R257-L260 PolarHBondContact O-N 3.39Å; R257-L261 HydrophobicContact CG-CD1 4.09Å; R257-L261 VanDerWaalsContact O-CG 3.31Å; R257-L261 WeakPolarHBondContact O-CG 3.39Å; R257-L261 PolarHBondContact O-N 3.48Å
258Y86.1Confident89.8Confident45 Ų4559.1 Ų59.118%0.17630%0.301CS..Hα-helixtrans-63.3-47.4177.6-165-82.1000110.9W83 P224 D255 L260 L261 H262 M270W83-Y258 AromaticContact CH2-CD1 3.91Å; W83-Y258 HydrophobicContact CH2-CD1 3.91Å; W83-Y258 AromaticContact CH2-CE1 3.88Å; W83-Y258 HydrophobicContact CH2-CE1 3.88Å; W83-Y258 HydrophobicContact CZ3-CD1 4.24Å; W83-Y258 HydrophobicContact CZ3-CE1 4.25Å; P224-Y258 HydrophobicContact CB-CD2 3.73Å; P224-Y258 HydrophobicContact CB-CE2 3.98Å; P224-Y258 HydrophobicContact CB-CG 4.21Å; P224-Y258 HydrophobicContact CG-CD2 4.01Å; D255-Y258 WeakPolarHBondContact O-CB 3.45Å; D255-Y258 PolarHBondContact O-N 2.85Å; D255-Y258 VanDerWaalsContact O-N 3.09Å; D255-Y258 PolarHBondContact OD1-N 3.49Å; Y258-L260 VanDerWaalsContact C-N 3.31Å; Y258-L260 PolarHBondContact O-N 3.44Å; Y258-L261 PolarHBondContact O-N 3.07Å; Y258-H262 AromaticContact CD1-ND1 3.57Å; Y258-H262 AromaticContact CD2-CE1 3.94Å; Y258-H262 AromaticContact CD2-ND1 3.98Å; Y258-H262 HydrophobicContact CE1-CB 4.31Å; Y258-H262 AromaticContact CE1-CG 3.92Å; Y258-H262 AromaticContact CE1-ND1 3.51Å; Y258-H262 AromaticContact CE2-CE1 3.68Å; Y258-H262 AromaticContact CE2-ND1 3.94Å; Y258-H262 AromaticContact CG-ND1 3.81Å; Y258-H262 AromaticContact CZ-CE1 3.71Å; Y258-H262 AromaticContact CZ-ND1 3.71Å; Y258-H262 PolarHBondContact O-N 3.32Å; Y258-H262 PolarHBondContact O-ND1 3Å; Y258-M270 HydrophobicContact CD1-SD 4.13Å; Y258-M270 HydrophobicContact CE1-CG 4.23Å; Y258-M270 HydrophobicContact CE1-SD 3.62Å; Y258-M270 HydrophobicContact CE2-SD 4.45Å
259I86.7Confident89.5Confident44 Ų4461.5 Ų61.523%0.22631%0.314CS..Hα-helixtrans-57.4-45.1176.2-66.5166.4000110.8W83 E254 D255 L261 H262W83-I259 HydrophobicContact CD2-CG1 3.99Å; W83-I259 HydrophobicContact CG-CD1 4.36Å; W83-I259 HydrophobicContact CG-CG1 4.18Å; W83-I259 HydrophobicContact CZ2-CG1 4.33Å; E254-I259 HydrophobicContact CB-CD1 4.48Å; E254-I259 HydrophobicContact CB-CG1 4.13Å; E254-I259 HydrophobicContact CG-CD1 3.57Å; E254-I259 HydrophobicContact CG-CG1 3.7Å; D255-I259 WeakPolarHBondContact O-CG1 3.32Å; D255-I259 PolarHBondContact O-N 3.22Å; I259-L261 VanDerWaalsContact C-N 3.35Å; I259-L261 PolarHBondContact O-N 3.41Å; I259-H262 CarbonylContact O-C 3.59Å; I259-H262 PolarHBondContact O-N 2.83Å
260L82Confident89.3Confident141 Ų14161.7 Ų61.774%0.73831%0.314SS*.Hα-helixtrans-64.1-37.3179.9-76.3171.1000112.9A256 R257 Y258A256-L260 WeakPolarHBondContact O-CB 3.44Å; A256-L260 WeakPolarHBondContact O-CD1 3.4Å; A256-L260 WeakPolarHBondContact O-CG 3.49Å; A256-L260 PolarHBondContact O-N 3.42Å; A256-L260 VanDerWaalsContact O-N 3.13Å; R257-L260 PolarHBondContact O-N 3.39Å; Y258-L260 VanDerWaalsContact C-N 3.31Å; Y258-L260 PolarHBondContact O-N 3.44Å
261L86.8Confident89.1Confident116 Ų11661.7 Ų61.761%0.60731%0.314SS*.Hα-helixtrans-77.9-20.6178.9-68.8173.7000113.1R257 Y258 I259 P263R257-L261 HydrophobicContact CG-CD1 4.09Å; R257-L261 VanDerWaalsContact O-CG 3.31Å; R257-L261 WeakPolarHBondContact O-CG 3.39Å; R257-L261 PolarHBondContact O-N 3.48Å; Y258-L261 PolarHBondContact O-N 3.07Å; I259-L261 VanDerWaalsContact C-N 3.35Å; I259-L261 PolarHBondContact O-N 3.41Å; L261-P263 VanDerWaalsContact O-CD 3.29Å; L261-P263 WeakPolarHBondContact O-CD 3.43Å
262H88.9Confident89Confident54 Ų5464.6 Ų64.625%0.2533%0.332CS..  trans-122.860.7-175.8-5692.4000112.8Y258 I259 L264 Q265Y258-H262 AromaticContact CD1-ND1 3.57Å; Y258-H262 AromaticContact CD2-CE1 3.94Å; Y258-H262 AromaticContact CD2-ND1 3.98Å; Y258-H262 HydrophobicContact CE1-CB 4.31Å; Y258-H262 AromaticContact CE1-CG 3.92Å; Y258-H262 AromaticContact CE1-ND1 3.51Å; Y258-H262 AromaticContact CE2-CE1 3.68Å; Y258-H262 AromaticContact CE2-ND1 3.94Å; Y258-H262 AromaticContact CG-ND1 3.81Å; Y258-H262 AromaticContact CZ-CE1 3.71Å; Y258-H262 AromaticContact CZ-ND1 3.71Å; Y258-H262 PolarHBondContact O-N 3.32Å; Y258-H262 PolarHBondContact O-ND1 3Å; I259-H262 CarbonylContact O-C 3.59Å; I259-H262 PolarHBondContact O-N 2.83Å; H262-L264 PolarHBondContact O-N 3.34Å; H262-Q265 HydrophobicContact CB-CB 3.9Å; H262-Q265 HydrophobicContact CB-CG 3.94Å; H262-Q265 PolarHBondContact CD2-OE1 3.47Å; H262-Q265 PolarHBondContact O-N 2.97Å; H262-Q265 VanDerWaalsContact O-N 3.09Å
263P85.2Confident89Confident84 Ų8470.6 Ų70.655%0.54536%0.36SS..THydrogen-bonded Turntrans-67-13.5-172.528.9-37.3000114.2R82 L261R82-P263 PolarHBondContact NH1-O 3.3Å; R82-P263 PolarHBondContact NH2-O 2.73Å; L261-P263 VanDerWaalsContact O-CD 3.29Å; L261-P263 WeakPolarHBondContact O-CD 3.43Å
264L86.7Confident89.1Confident163 Ų16369.3 Ų69.385%0.85335%0.353SS*.THydrogen-bonded Turntrans-106.1-4.7177.3-60.8179.2000113.8H262H262-L264 PolarHBondContact O-N 3.34Å
265Q92.8Very high89.4Confident41 Ų4168.2 Ų68.219%0.19235%0.348CS..  trans-89.6179.2178-66-171.4-10.100111.9R82 W83 H262 I269R82-Q265 VanDerWaalsContact CD-O 3.23Å; R82-Q265 WeakPolarHBondContact CD-O 3.15Å; R82-Q265 PolarHBondContact NE-O 3.3Å; R82-Q265 PolarHBondContact NH1-O 2.88Å; W83-Q265 HydrophobicContact CH2-CB 4.19Å; W83-Q265 HydrophobicContact CZ2-CB 4.37Å; H262-Q265 HydrophobicContact CB-CB 3.9Å; H262-Q265 HydrophobicContact CB-CG 3.94Å; H262-Q265 PolarHBondContact CD2-OE1 3.47Å; H262-Q265 PolarHBondContact O-N 2.97Å; H262-Q265 VanDerWaalsContact O-N 3.09Å; Q265-I269 HydrophobicContact CG-CG2 4.32Å
266N92.9Very high89.8Confident44 Ų4468.1 Ų68.124%0.23535%0.353CS..  trans-151.2170.2174.958.146.1000109.1R82 R268 I269 M270R82-N266 HydrophobicContact CG-CB 3.23Å; R82-N266 WeakPolarHBondContact O-CB 3.39Å; N266-R268 PolarHBondContact O-N 2.87Å; N266-R268 WeakPolarHBondContact OD1-CA 3.37Å; N266-R268 VanDerWaalsContact OD1-CB 3.3Å; N266-R268 WeakPolarHBondContact OD1-CB 3.33Å; N266-R268 PolarHBondContact OD1-N 2.68Å; N266-I269 PolarHBondContact O-N 2.89Å; N266-I269 VanDerWaalsContact O-N 3.13Å; N266-I269 WeakPolarHBondContact OD1-CG1 3.22Å; N266-I269 PolarHBondContact OD1-N 3.18Å; N266-M270 PolarHBondContact O-N 2.79Å
267L93.5Very high90.5Very high3 Ų366.8 Ų66.82%0.01634%0.339CS..Hα-helixtrans-56.1-39.3-178.5-167.977.9000111.4R82 W83 T85 T86 E254 I269 M270 T271 F301R82-L267 PolarHBondContact O-N 2.95Å; W83-L267 HydrophobicContact CE3-CB 4.27Å; W83-L267 HydrophobicContact CE3-CD1 4.45Å; T85-L267 WeakPolarHBondContact O-CD2 3.47Å; T86-L267 HydrophobicContact CG2-CD2 3.63Å; E254-L267 WeakPolarHBondContact OE2-CD1 3.31Å; L267-I269 PolarHBondContact O-N 3.16Å; L267-M270 HydrophobicContact CD1-CE 3.3Å; L267-M270 HydrophobicContact CG-CE 4.36Å; L267-M270 PolarHBondContact O-N 3.04Å; L267-T271 PolarHBondContact O-N 2.96Å; L267-T271 PolarHBondContact O-OG1 3.16Å; L267-T271 VanDerWaalsContact O-OG1 3.07Å; L267-F301 HydrophobicContact CB-CE2 4.43Å; L267-F301 HydrophobicContact CB-CZ 4.23Å; L267-F301 HydrophobicContact CD2-CE2 4.14Å; L267-F301 HydrophobicContact CD2-CZ 4.18Å; L267-F301 HydrophobicContact CG-CE2 4.13Å; L267-F301 HydrophobicContact CG-CZ 4.31Å
268R94.2Very high91.2Very high89 Ų8957.9 Ų57.934%0.33631%0.305SS..Hα-helixtrans-58.4-47.6177.8-177.8-177.4171.6-82-2.9113N266 T271 V272 F301N266-R268 PolarHBondContact O-N 2.87Å; N266-R268 WeakPolarHBondContact OD1-CA 3.37Å; N266-R268 VanDerWaalsContact OD1-CB 3.3Å; N266-R268 WeakPolarHBondContact OD1-CB 3.33Å; N266-R268 PolarHBondContact OD1-N 2.68Å; R268-T271 PolarHBondContact O-N 3.04Å; R268-V272 HydrophobicContact CG-CG2 4.31Å; R268-V272 WeakPolarHBondContact O-CB 3.47Å; R268-V272 VanDerWaalsContact O-CG2 3.23Å; R268-V272 WeakPolarHBondContact O-CG2 3.33Å; R268-V272 PolarHBondContact O-N 2.98Å; R268-F301 HydrophobicContact CB-CD1 4.16Å; R268-F301 HydrophobicContact CB-CD2 4.45Å; R268-F301 HydrophobicContact CB-CE1 3.63Å; R268-F301 HydrophobicContact CB-CE2 3.99Å; R268-F301 HydrophobicContact CB-CZ 3.52Å; R268-F301 HydrophobicContact CG-CD1 4.05Å; R268-F301 HydrophobicContact CG-CE1 4.04Å; R268-F301 HydrophobicContact CG-CG 4.31Å; R268-F301 HydrophobicContact CG-CZ 4.28Å; R268-F301 VanDerWaalsContact N-CZ 3.35Å
269I92.9Very high91.7Very high50 Ų5056.8 Ų56.826%0.25630%0.302SS..Hα-helixtrans-61.9-48.2179.5-69.8166.3000109.3Q265 N266 L267 T271 V272 E273Q265-I269 HydrophobicContact CG-CG2 4.32Å; N266-I269 PolarHBondContact O-N 2.89Å; N266-I269 VanDerWaalsContact O-N 3.13Å; N266-I269 WeakPolarHBondContact OD1-CG1 3.22Å; N266-I269 PolarHBondContact OD1-N 3.18Å; L267-I269 PolarHBondContact O-N 3.16Å; I269-T271 PolarHBondContact O-N 2.97Å; I269-V272 PolarHBondContact O-N 3.18Å; I269-E273 HydrophobicContact CG2-CG 4.43Å; I269-E273 WeakPolarHBondContact O-CB 3.48Å; I269-E273 WeakPolarHBondContact O-CG 3.3Å; I269-E273 PolarHBondContact O-N 3.04Å
270M92.9Very high92.3Very high4 Ų462 Ų622%0.0232%0.319CS..Hα-helixtrans-57.5-48.1178.7-177.1-179.666.600111.7W83 P224 L252 E254 Y258 N266 L267 A274W83-M270 HydrophobicContact CZ3-CE 4.37Å; W83-M270 HydrophobicContact CZ3-SD 4.34Å; P224-M270 HydrophobicContact CB-SD 4Å; L252-M270 HydrophobicContact CB-CE 3.64Å; L252-M270 HydrophobicContact CB-SD 4.46Å; L252-M270 HydrophobicContact CD1-CE 4.33Å; L252-M270 HydrophobicContact CD1-CG 3.83Å; L252-M270 HydrophobicContact CD1-SD 4.45Å; E254-M270 HydrophobicContact CB-CE 4.37Å; Y258-M270 HydrophobicContact CD1-SD 4.13Å; Y258-M270 HydrophobicContact CE1-CG 4.23Å; Y258-M270 HydrophobicContact CE1-SD 3.62Å; Y258-M270 HydrophobicContact CE2-SD 4.45Å; N266-M270 PolarHBondContact O-N 2.79Å; L267-M270 HydrophobicContact CD1-CE 3.3Å; L267-M270 HydrophobicContact CG-CE 4.36Å; L267-M270 PolarHBondContact O-N 3.04Å; M270-A274 WeakPolarHBondContact O-CB 3.19Å; M270-A274 PolarHBondContact O-N 3.13Å
271T92.9Very high93Very high1 Ų155.8 Ų55.81%0.00629%0.286CS..Hα-helixtrans-64.4-45.2178.7-57.10000112.1L267 R268 I269 E273 A274 L275 D300 F301L267-T271 PolarHBondContact O-N 2.96Å; L267-T271 PolarHBondContact O-OG1 3.16Å; L267-T271 VanDerWaalsContact O-OG1 3.07Å; R268-T271 PolarHBondContact O-N 3.04Å; I269-T271 PolarHBondContact O-N 2.97Å; T271-E273 VanDerWaalsContact C-N 3.35Å; T271-E273 PolarHBondContact O-N 3Å; T271-A274 CarbonylContact O-C 3.52Å; T271-A274 PolarHBondContact O-N 3.33Å; T271-L275 WeakPolarHBondContact O-CB 3.49Å; T271-L275 PolarHBondContact O-N 3.41Å; T271-D300 HydrophobicContact CG2-CB 4.12Å; T271-F301 HydrophobicContact CG2-CD2 3.89Å; T271-F301 HydrophobicContact CG2-CE2 4.47Å
272V92.3Very high93.5Very high64 Ų6450.2 Ų50.239%0.38826%0.257SS..Hα-helixtrans-64-40.5-178.1169.30000111.4R268 I269 A274 L275R268-V272 HydrophobicContact CG-CG2 4.31Å; R268-V272 WeakPolarHBondContact O-CB 3.47Å; R268-V272 VanDerWaalsContact O-CG2 3.23Å; R268-V272 WeakPolarHBondContact O-CG2 3.33Å; R268-V272 PolarHBondContact O-N 2.98Å; I269-V272 PolarHBondContact O-N 3.18Å; V272-A274 VanDerWaalsContact C-N 3.27Å; V272-A274 PolarHBondContact O-N 3.38Å; V272-L275 WeakPolarHBondContact O-CB 3.27Å; V272-L275 PolarHBondContact O-N 2.94Å
273E92.6Very high94Very high129 Ų12949.7 Ų49.760%0.60326%0.262SS*.Hα-helixtrans-63.7-34.4176.2-72.9179.3175.900112.2I269 T271I269-E273 HydrophobicContact CG2-CG 4.43Å; I269-E273 WeakPolarHBondContact O-CB 3.48Å; I269-E273 WeakPolarHBondContact O-CG 3.3Å; I269-E273 PolarHBondContact O-N 3.04Å; T271-E273 VanDerWaalsContact C-N 3.35Å; T271-E273 PolarHBondContact O-N 3Å
274A93.1Very high94.5Very high8 Ų851.8 Ų51.87%0.06626%0.264CS..Hα-helixtrans-85.2-8.4178.500000114.7P226 L252 M270 T271 V272 S276 P277 L278P226-A274 HydrophobicContact CB-CB 3.92Å; P226-A274 HydrophobicContact CG-CB 3.77Å; L252-A274 HydrophobicContact CD1-CB 3.46Å; L252-A274 VanDerWaalsContact CD1-CB 3.46Å; M270-A274 WeakPolarHBondContact O-CB 3.19Å; M270-A274 PolarHBondContact O-N 3.13Å; T271-A274 CarbonylContact O-C 3.52Å; T271-A274 PolarHBondContact O-N 3.33Å; V272-A274 VanDerWaalsContact C-N 3.27Å; V272-A274 PolarHBondContact O-N 3.38Å; A274-S276 PolarHBondContact O-N 3.47Å; A274-P277 WeakPolarHBondContact O-CD 3.39Å; A274-P277 WeakPolarHBondContact O-CG 3.44Å; A274-L278 HydrophobicContact CB-CD1 4.2Å; A274-L278 WeakPolarHBondContact O-CD1 3.4Å; A274-L278 WeakPolarHBondContact O-CG 3.32Å
275L93.3Very high95Very high17 Ų1744.5 Ų44.59%0.08923%0.226CC..Hα-helixtrans-68.8-35-166.6-16555000113.1T271 V272 L278 L279T271-L275 WeakPolarHBondContact O-CB 3.49Å; T271-L275 PolarHBondContact O-N 3.41Å; V272-L275 WeakPolarHBondContact O-CB 3.27Å; V272-L275 PolarHBondContact O-N 2.94Å; L275-L278 PolarHBondContact O-N 3.05Å; L275-L279 HydrophobicContact CD1-CD1 4.13Å; L275-L279 HydrophobicContact CD1-CD2 4.09Å; L275-L279 HydrophobicContact CD1-CG 3.83Å; L275-L279 HydrophobicContact CD2-CD1 4.28Å; L275-L279 HydrophobicContact CG-CD1 3.72Å; L275-L279 HydrophobicContact CG-CG 3.86Å; L275-L279 WeakPolarHBondContact O-CB 3.4Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.45Å; L275-L279 PolarHBondContact O-N 3.34Å
276S95.2Very high95.2Very high73 Ų7348.1 Ų48.151%0.5124%0.238SC..Hα-helixtrans-58.4-54.3-178.6-175.20000113.8A274 L278 R280A274-S276 PolarHBondContact O-N 3.47Å; S276-L278 VanDerWaalsContact C-N 3.35Å; S276-L278 PolarHBondContact O-N 2.89Å; S276-R280 WeakPolarHBondContact O-CB 3.28Å; S276-R280 PolarHBondContact O-N 3.05Å
277P96.8Very high95.4Very high45 Ų4546.1 Ų46.129%0.29223%0.227SC..Hα-helixtrans-63.5-38176.323.4-33.4000112.8P226 I230 A274 R280 W281P226-P277 HydrophobicContact CB-CG 4.2Å; P226-P277 HydrophobicContact CG-CG 4.29Å; I230-P277 HydrophobicContact CD1-CB 4.3Å; A274-P277 WeakPolarHBondContact O-CD 3.39Å; A274-P277 WeakPolarHBondContact O-CG 3.44Å; P277-R280 PolarHBondContact O-N 3.3Å; P277-W281 PolarHBondContact O-N 2.79Å
278L97.4Very high95.4Very high0 Ų046 Ų460%023%0.227CC..Hα-helixtrans-63.6-46.6178.8-66.1171.1000111.7P226 V229 I230 L250 A274 L275 S276 R280 W281 T282P226-L278 HydrophobicContact CB-CD1 4.34Å; P226-L278 HydrophobicContact CB-CD2 4.03Å; P226-L278 HydrophobicContact CB-CG 3.99Å; V229-L278 HydrophobicContact CB-CD2 4.16Å; V229-L278 HydrophobicContact CG1-CD2 3.88Å; I230-L278 HydrophobicContact CD1-CD2 4.41Å; I230-L278 HydrophobicContact CG1-CD2 4.11Å; L250-L278 HydrophobicContact CB-CD1 4.45Å; L250-L278 HydrophobicContact CD2-CD2 4.36Å; A274-L278 HydrophobicContact CB-CD1 4.2Å; A274-L278 WeakPolarHBondContact O-CD1 3.4Å; A274-L278 WeakPolarHBondContact O-CG 3.32Å; L275-L278 PolarHBondContact O-N 3.05Å; S276-L278 VanDerWaalsContact C-N 3.35Å; S276-L278 PolarHBondContact O-N 2.89Å; L278-R280 VanDerWaalsContact C-N 3.35Å; L278-R280 PolarHBondContact O-N 2.74Å; L278-W281 WeakPolarHBondContact O-CB 3.1Å; L278-W281 PolarHBondContact O-N 2.99Å; L278-T282 PolarHBondContact O-N 2.79Å; L278-T282 PolarHBondContact O-OG1 2.9Å
279L97.3Very high95.3Very high23 Ų2346.8 Ų46.812%0.1224%0.243CC..Hα-helixtrans-67.7-33.8177.6-68.3-173.9000112.8L275 T282 A283 F307 I310L275-L279 HydrophobicContact CD1-CD1 4.13Å; L275-L279 HydrophobicContact CD1-CD2 4.09Å; L275-L279 HydrophobicContact CD1-CG 3.83Å; L275-L279 HydrophobicContact CD2-CD1 4.28Å; L275-L279 HydrophobicContact CG-CD1 3.72Å; L275-L279 HydrophobicContact CG-CG 3.86Å; L275-L279 WeakPolarHBondContact O-CB 3.4Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.45Å; L275-L279 PolarHBondContact O-N 3.34Å; L279-T282 PolarHBondContact O-N 2.89Å; L279-A283 WeakPolarHBondContact O-CB 3.48Å; L279-A283 PolarHBondContact O-N 3.06Å; L279-F307 HydrophobicContact CD2-CB 3.92Å; L279-F307 HydrophobicContact CD2-CD2 3.74Å; L279-F307 HydrophobicContact CD2-CG 4.33Å; L279-I310 HydrophobicContact CB-CD1 3.96Å; L279-I310 HydrophobicContact CD1-CD1 4.09Å; L279-I310 HydrophobicContact CD2-CD1 4.2Å; L279-I310 HydrophobicContact CG-CD1 4.31Å
280R97.7Very high95.1Very high152 Ų15246 Ų4657%0.57425%0.247SC*.Hα-helixtrans-61.5-47.6172.1-174.2-179.3-62.6132.55110.5S276 P277 L278 T282 A283 E284S276-R280 WeakPolarHBondContact O-CB 3.28Å; S276-R280 PolarHBondContact O-N 3.05Å; P277-R280 PolarHBondContact O-N 3.3Å; L278-R280 VanDerWaalsContact C-N 3.35Å; L278-R280 PolarHBondContact O-N 2.74Å; R280-T282 VanDerWaalsContact C-N 3.35Å; R280-T282 PolarHBondContact O-N 2.68Å; R280-A283 PolarHBondContact O-N 2.94Å; R280-E284 PolarHBondContact O-N 3.24Å
281W97.7Very high94.8Very high11 Ų1150.9 Ų50.94%0.04228%0.278CS..Hα-helixtrans-57.5-47.5174.3174.986.6000111.4I230 L233 E234 K237 L250 P277 L278 A283 E284 Q285 V294I230-W281 HydrophobicContact CD1-CB 4.07Å; I230-W281 HydrophobicContact CG1-CB 4.04Å; I230-W281 HydrophobicContact CG1-CG 4.03Å; I230-W281 HydrophobicContact CG2-CG 4.22Å; L233-W281 HydrophobicContact CB-CH2 4.02Å; L233-W281 HydrophobicContact CB-CZ2 3.69Å; L233-W281 HydrophobicContact CD1-CE3 4.45Å; L233-W281 HydrophobicContact CD1-CH2 3.68Å; L233-W281 HydrophobicContact CD1-CZ2 4.08Å; L233-W281 HydrophobicContact CD1-CZ3 3.89Å; L233-W281 HydrophobicContact CG-CH2 4.42Å; E234-W281 PolarHBondContact OE1-NE1 3.14Å; K237-W281 HydrophobicContact CD-CZ2 3.89Å; L250-W281 HydrophobicContact CD2-CE3 3.78Å; L250-W281 HydrophobicContact CD2-CZ3 3.71Å; P277-W281 PolarHBondContact O-N 2.79Å; L278-W281 WeakPolarHBondContact O-CB 3.1Å; L278-W281 PolarHBondContact O-N 2.99Å; W281-A283 VanDerWaalsContact C-N 3.33Å; W281-A283 PolarHBondContact O-N 2.86Å; W281-E284 PolarHBondContact O-N 3.28Å; W281-E284 VanDerWaalsContact O-N 3.16Å; W281-Q285 HydrophobicContact CD2-CG 4.37Å; W281-Q285 HydrophobicContact CE3-CG 4.26Å; W281-Q285 HydrophobicContact CH2-CG 4.06Å; W281-Q285 HydrophobicContact CZ2-CG 4.18Å; W281-Q285 HydrophobicContact CZ3-CG 4.09Å; W281-Q285 WeakPolarHBondContact O-CG 3.48Å; W281-Q285 PolarHBondContact O-NE2 2.93Å; W281-V294 HydrophobicContact CH2-CG1 4.45Å
282T98.1Very high94.7Very high0 Ų051.8 Ų51.80%029%0.287CS..Hα-helixtrans-58.5-44.5177.9-52.70000111.7L250 L278 L279 R280 E284 Q285 V297 I310 V311 L314L250-T282 WeakPolarHBondContact CD1-OG1 3.38Å; L278-T282 PolarHBondContact O-N 2.79Å; L278-T282 PolarHBondContact O-OG1 2.9Å; L279-T282 PolarHBondContact O-N 2.89Å; R280-T282 VanDerWaalsContact C-N 3.35Å; R280-T282 PolarHBondContact O-N 2.68Å; T282-E284 PolarHBondContact O-N 2.6Å; T282-Q285 WeakPolarHBondContact O-CB 3.24Å; T282-Q285 WeakPolarHBondContact O-CG 3.44Å; T282-Q285 PolarHBondContact O-N 2.73Å; T282-Q285 VanDerWaalsContact O-N 3.07Å; T282-V297 HydrophobicContact CG2-CG1 4.22Å; T282-I310 HydrophobicContact CG2-CG2 3.95Å; T282-V311 HydrophobicContact CG2-CG2 3.73Å; T282-L314 HydrophobicContact CG2-CD1 4.46Å
283A98Very high94.8Very high43 Ų4353 Ų5336%0.35528%0.284SS..Hα-helixtrans-63.9-20.6-178.900000113.3L279 R280 W281 I310 K317L279-A283 WeakPolarHBondContact O-CB 3.48Å; L279-A283 PolarHBondContact O-N 3.06Å; R280-A283 PolarHBondContact O-N 2.94Å; W281-A283 VanDerWaalsContact C-N 3.33Å; W281-A283 PolarHBondContact O-N 2.86Å; A283-I310 HydrophobicContact CB-CG2 3.86Å; A283-K317 PolarHBondContact O-NZ 3.29Å
284E96.9Very high95Very high128 Ų12846.8 Ų46.860%0.59826%0.256SS*.Hα-helixtrans-84.1-18.5176.9-70.8172.5-17400112.9R280 W281 T282R280-E284 PolarHBondContact O-N 3.24Å; W281-E284 PolarHBondContact O-N 3.28Å; W281-E284 VanDerWaalsContact O-N 3.16Å; T282-E284 PolarHBondContact O-N 2.6Å
285Q97.1Very high95.2Very high10 Ų1046.4 Ų46.45%0.04725%0.252CS..  trans-68165.9-174.4-54.4-48.9-46.300113.5W281 T282 V294 L314 K317W281-Q285 HydrophobicContact CD2-CG 4.37Å; W281-Q285 HydrophobicContact CE3-CG 4.26Å; W281-Q285 HydrophobicContact CH2-CG 4.06Å; W281-Q285 HydrophobicContact CZ2-CG 4.18Å; W281-Q285 HydrophobicContact CZ3-CG 4.09Å; W281-Q285 WeakPolarHBondContact O-CG 3.48Å; W281-Q285 PolarHBondContact O-NE2 2.93Å; T282-Q285 WeakPolarHBondContact O-CB 3.24Å; T282-Q285 WeakPolarHBondContact O-CG 3.44Å; T282-Q285 PolarHBondContact O-N 2.73Å; T282-Q285 VanDerWaalsContact O-N 3.07Å; Q285-V294 HydrophobicContact CB-CB 4.44Å; Q285-V294 HydrophobicContact CB-CG1 3.84Å; Q285-V294 HydrophobicContact CB-CG2 3.71Å; Q285-V294 HydrophobicContact CG-CG1 3.89Å; Q285-L314 HydrophobicContact CB-CD1 4.06Å; Q285-L314 WeakPolarHBondContact O-CD2 3.4Å; Q285-K317 PolarHBondContact O-NZ 3.02Å
286R96.2Very high95.4Very high116 Ų11645.6 Ų45.644%0.43825%0.248SC..  trans-136.9135.8174.1-63.6-172.4-177.4-161.23.1109.8R293 V294 K317R286-R293 CarbonylContact O-C 3.48Å; R286-R293 WeakPolarHBondContact O-CA 3.44Å; R286-R293 WeakPolarHBondContact O-CB 3.46Å; R286-R293 WeakPolarHBondContact O-CD 3.27Å; R286-V294 PolarHBondContact O-N 2.82Å; R286-K317 HydrophobicContact CG-CD 4.11Å
287P96.8Very high95.6Very high2 Ų242.1 Ų42.11%0.01322%0.224CC..BIsolated β-bridgetrans-84.3175.5170.835.1-34.1000111.4N37 A39 R293 V294 L314 L318N37-P287 WeakPolarHBondContact O-CB 3.36Å; A39-P287 HydrophobicContact CB-CB 3.9Å; A39-P287 HydrophobicContact CB-CG 3.91Å; P287-R293 WeakPolarHBondContact O-CD 3.44Å; P287-V294 VanDerWaalsContact CA-O 3.26Å; P287-V294 WeakPolarHBondContact CA-O 3.46Å; P287-V294 WeakPolarHBondContact CB-O 3.3Å; P287-L314 WeakPolarHBondContact CD-O 3.42Å; P287-L314 HydrophobicContact CG-CB 4.43Å; P287-L318 HydrophobicContact CG-CD1 3.92Å; P287-L318 HydrophobicContact CG-CD2 4.25Å; P287-L318 HydrophobicContact CG-CG 3.89Å; P287-L318 VanDerWaalsContact O-CD2 3.28Å; P287-L318 WeakPolarHBondContact O-CD2 3.45Å
288G94.9Very high95.7Very high2 Ų240 Ų402%0.02121%0.21CC..SBendtrans122.5179.6178.600000114.2N37 R241 G290 R293N37-G288 WeakPolarHBondContact O-CA 3.36Å; N37-G288 PolarHBondContact O-N 2.97Å; R241-G288 PolarHBondContact NH1-O 3.1Å; G288-G290 VanDerWaalsContact C-N 3.34Å; G288-G290 PolarHBondContact O-N 3.37Å; G288-R293 WeakPolarHBondContact O-CB 3.38Å
289P91.6Very high95.7Very high104 Ų10440 Ų4068%0.67521%0.21SC*.SBendtrans-79.4-11.5-171.130.3-36.1000114.7N37N37-P289 WeakPolarHBondContact OD1-CA 3.48Å
290G87.4Confident95.7Very high33 Ų3339 Ų3934%0.3421%0.205SC..SBendtrans-73.2168.7-17500000114.8G288 R293G288-G290 VanDerWaalsContact C-N 3.34Å; G288-G290 PolarHBondContact O-N 3.37Å; G290-R293 VanDerWaalsContact O-CB 3.26Å; G290-R293 WeakPolarHBondContact O-CB 3.4Å; G290-R293 WeakPolarHBondContact O-CG 3.28Å; G290-R293 PolarHBondContact O-N 2.91Å
291V88.2Confident95.6Very high108 Ų10832 Ų3266%0.65518%0.179SC*.THydrogen-bonded Turntrans-60.4142.6171.8-1790000110.5R293V291-R293 PolarHBondContact O-N 3.3Å
292G89.4Confident95.4Very high19 Ų1931.6 Ų31.620%0.19618%0.177CC..THydrogen-bonded Turntrans66.318.7-179.600000114.9K237K237-G292 WeakPolarHBondContact CE-O 3.31Å; K237-G292 PolarHBondContact O-N 3Å
293R94.4Very high95Very high89 Ų8933.1 Ų33.134%0.33619%0.193SC..  trans-97.5132.1176.7-62.3-62.1-177.2-119.2-6.3111.7Y246 R286 P287 G288 G290 V291Y246-R293 PolarHBondContact OH-O 2.85Å; R286-R293 CarbonylContact O-C 3.48Å; R286-R293 WeakPolarHBondContact O-CA 3.44Å; R286-R293 WeakPolarHBondContact O-CB 3.46Å; R286-R293 WeakPolarHBondContact O-CD 3.27Å; P287-R293 WeakPolarHBondContact O-CD 3.44Å; G288-R293 WeakPolarHBondContact O-CB 3.38Å; G290-R293 VanDerWaalsContact O-CB 3.26Å; G290-R293 WeakPolarHBondContact O-CB 3.4Å; G290-R293 WeakPolarHBondContact O-CG 3.28Å; G290-R293 PolarHBondContact O-N 2.91Å; V291-R293 PolarHBondContact O-N 3.3Å
294V96.6Very high94.4Very high0 Ų035.4 Ų35.40%020%0.195CC..BIsolated β-bridgetrans-79.4156.5-179.3-61.80000112.7K237 Y246 W281 Q285 R286 P287 V297 L314K237-V294 HydrophobicContact CD-CG1 4.48Å; Y246-V294 VanDerWaalsContact OH-CA 3.28Å; Y246-V294 WeakPolarHBondContact OH-CA 3.45Å; W281-V294 HydrophobicContact CH2-CG1 4.45Å; Q285-V294 HydrophobicContact CB-CB 4.44Å; Q285-V294 HydrophobicContact CB-CG1 3.84Å; Q285-V294 HydrophobicContact CB-CG2 3.71Å; Q285-V294 HydrophobicContact CG-CG1 3.89Å; R286-V294 PolarHBondContact O-N 2.82Å; P287-V294 VanDerWaalsContact CA-O 3.26Å; P287-V294 WeakPolarHBondContact CA-O 3.46Å; P287-V294 WeakPolarHBondContact CB-O 3.3Å; V294-V297 HydrophobicContact CB-CG2 4.39Å; V294-V297 HydrophobicContact CG2-CG2 4.5Å; V294-L314 HydrophobicContact CG2-CD1 4.15Å
295N98.1Very high93.9Very high0 Ų030.3 Ų30.30%017%0.174CC..  trans-122.1-93.7168.7174.7-131.1000110.5L35 W36 L38 A39 I40 F245 Y246L35-N295 PolarHBondContact O-ND2 3.32Å; L35-N295 VanDerWaalsContact O-ND2 3.08Å; W36-N295 VanDerWaalsContact CA-ND2 3.27Å; W36-N295 WeakPolarHBondContact CA-ND2 3.44Å; W36-N295 WeakPolarHBondContact O-CB 2.82Å; W36-N295 VanDerWaalsContact O-CG 3.28Å; W36-N295 PolarHBondContact O-ND2 3.31Å; W36-N295 VanDerWaalsContact O-ND2 3.14Å; L38-N295 WeakPolarHBondContact O-CA 3.26Å; L38-N295 PolarHBondContact O-ND2 3.2Å; A39-N295 WeakPolarHBondContact CA-O 3.44Å; I40-N295 PolarHBondContact N-O 2.88Å; F245-N295 WeakPolarHBondContact CA-OD1 3.34Å; F245-N295 WeakPolarHBondContact CD1-OD1 3.43Å; Y246-N295 HydrophobicContact CD1-CB 3.93Å; Y246-N295 HydrophobicContact CE1-CB 3.78Å; Y246-N295 PolarHBondContact N-OD1 2.78Å
296I98.8Very high93.7Very high0 Ų035.8 Ų35.80%020%0.199CC..EExtended strand (participates in β ladder)trans-83.4132.6175.7-60.5147.7000108.1I40 Y101 I148 I216 F245 Y246 V247 S248I40-I296 HydrophobicContact CB-CG1 4Å; I40-I296 HydrophobicContact CD1-CG1 4.5Å; I40-I296 HydrophobicContact CG2-CG1 4.4Å; I40-I296 VanDerWaalsContact O-CA 3.3Å; I40-I296 WeakPolarHBondContact O-CA 3.49Å; Y101-I296 HydrophobicContact CD1-CG2 3.93Å; Y101-I296 HydrophobicContact CD2-CD1 3.64Å; Y101-I296 HydrophobicContact CD2-CG1 4.34Å; Y101-I296 HydrophobicContact CD2-CG2 4.11Å; Y101-I296 HydrophobicContact CE2-CD1 4.13Å; Y101-I296 HydrophobicContact CG-CD1 4.28Å; Y101-I296 HydrophobicContact CG-CG2 3.61Å; I148-I296 HydrophobicContact CD1-CD1 3.91Å; I148-I296 HydrophobicContact CD1-CG1 4.31Å; I216-I296 HydrophobicContact CG2-CD1 4.46Å; F245-I296 HydrophobicContact CB-CD1 4.13Å; F245-I296 HydrophobicContact CD1-CD1 4.11Å; Y246-I296 WeakPolarHBondContact O-CB 3.43Å; Y246-I296 PolarHBondContact O-N 3.06Å; Y246-I296 VanDerWaalsContact O-N 3.12Å; V247-I296 CarbonylContact C-O 3.54Å; V247-I296 WeakPolarHBondContact CA-O 3.43Å; V247-I296 HydrophobicContact CB-CB 4.46Å; V247-I296 HydrophobicContact CB-CG2 4.42Å; V247-I296 HydrophobicContact CG1-CG2 4.16Å; V247-I296 HydrophobicContact CG2-CB 4Å; V247-I296 HydrophobicContact CG2-CD1 4.15Å; V247-I296 HydrophobicContact CG2-CG2 3.88Å; S248-I296 PolarHBondContact N-O 2.84Å
297V98.7Very high93.8Very high0 Ų030.2 Ų30.20%018%0.178CC..EExtended strand (participates in β ladder)trans-116.1127.6169.6-173.60000106.8I40 G42 S248 L250 T282 V294 F307 V311I40-V297 PolarHBondContact O-N 2.74Å; G42-V297 PolarHBondContact N-O 3.48Å; S248-V297 WeakPolarHBondContact O-CA 3.21Å; L250-V297 HydrophobicContact CD1-CG1 3.82Å; L250-V297 HydrophobicContact CD2-CG1 4.37Å; L250-V297 HydrophobicContact CG-CG1 3.88Å; T282-V297 HydrophobicContact CG2-CG1 4.22Å; V294-V297 HydrophobicContact CB-CG2 4.39Å; V294-V297 HydrophobicContact CG2-CG2 4.5Å; V297-F307 HydrophobicContact CB-CE2 4.41Å; V297-F307 HydrophobicContact CB-CZ 4.37Å; V297-F307 HydrophobicContact CG1-CE2 3.82Å; V297-F307 HydrophobicContact CG1-CZ 4.13Å; V297-F307 VanDerWaalsContact O-CZ 3.31Å; V297-F307 WeakPolarHBondContact O-CZ 3.37Å; V297-V311 HydrophobicContact CB-CG1 4.43Å; V297-V311 HydrophobicContact CB-CG2 4.05Å; V297-V311 HydrophobicContact CG1-CG2 4.43Å; V297-V311 HydrophobicContact CG2-CG1 4.49Å
298C98.3Very high93.8Very high0 Ų030.4 Ų30.40%018%0.179CC..EExtended strand (participates in β ladder)trans-111.1146.6179.3-76.30000111.7G42 Y101 Y218 V247 S248 L250G42-C298 VanDerWaalsContact CA-SG 3.58Å; G42-C298 VanDerWaalsContact O-CA 3.32Å; G42-C298 WeakPolarHBondContact O-CA 3.38Å; Y101-C298 WeakPolarHBondContact CD1-SG 3.4Å; Y218-C298 HydrophobicContact CE2-CB 4.36Å; Y218-C298 WeakPolarHBondContact OH-CB 3.13Å; V247-C298 HydrophobicContact CG1-CB 3.71Å; V247-C298 WeakPolarHBondContact CG1-SG 3.44Å; S248-C298 PolarHBondContact O-N 2.97Å; L250-C298 VanDerWaalsContact CB-O 3.3Å; L250-C298 WeakPolarHBondContact CB-O 3.26Å; L250-C298 WeakPolarHBondContact CG-O 3.39Å; L250-C298 PolarHBondContact N-O 2.98Å
299C96.7Very high93.9Very high1 Ų132.7 Ų32.71%0.00720%0.195CC..EExtended strand (participates in β ladder)trans-143.8156.8176.3-163.80000110.9G42 H44 Q87 L250 V302 F307G42-C299 PolarHBondContact O-N 2.91Å; H44-C299 PolarHBondContact N-O 3.26Å; Q87-C299 PolarHBondContact NE2-O 3.07Å; Q87-C299 VanDerWaalsContact NE2-O 3.14Å; L250-C299 HydrophobicContact CB-CB 4.45Å; L250-C299 HydrophobicContact CD1-CB 4.36Å; C299-V302 WeakPolarHBondContact O-CG1 3.14Å; C299-F307 HydrophobicContact CB-CD1 3.9Å; C299-F307 HydrophobicContact CB-CD2 3.85Å; C299-F307 HydrophobicContact CB-CE1 3.67Å; C299-F307 HydrophobicContact CB-CE2 3.63Å; C299-F307 HydrophobicContact CB-CG 3.97Å; C299-F307 HydrophobicContact CB-CZ 3.51Å
300D97.4Very high94.2Very high1 Ų129.5 Ų29.51%0.00517%0.172CC..SBendtrans-83.4154.7167.3-61.5-31.9000110.1H44 T86 T271 V302H44-D300 VanDerWaalsContact CB-OD1 3.32Å; H44-D300 WeakPolarHBondContact CB-OD1 3.35Å; H44-D300 IonicContact CE1-OD1 2.68Å; H44-D300 IonicContact CG-OD1 3.95Å; H44-D300 IonicContact ND1-OD1 3.57Å; H44-D300 PolarHBondContact ND1-OD1 3.13Å; H44-D300 IonicContact ND1-OD2 3.84Å; T86-D300 VanDerWaalsContact CB-OD1 3.28Å; T86-D300 WeakPolarHBondContact CB-OD1 3.28Å; T86-D300 CarbonylContact O-C 3.59Å; T271-D300 HydrophobicContact CG2-CB 4.12Å; D300-V302 PolarHBondContact O-N 3.3Å
301F96.4Very high94.8Very high5 Ų527.9 Ų27.92%0.02216%0.156CC..  trans55.648.2173-51.3-74.1000113.4T85 T86 Q88 L267 R268 T271 G303 F304T85-F301 WeakPolarHBondContact O-CZ 3.14Å; T86-F301 WeakPolarHBondContact O-CD1 3.28Å; T86-F301 PolarHBondContact O-N 3.03Å; Q88-F301 HydrophobicContact CG-CD1 4.09Å; Q88-F301 HydrophobicContact CG-CE1 4.28Å; L267-F301 HydrophobicContact CB-CE2 4.43Å; L267-F301 HydrophobicContact CB-CZ 4.23Å; L267-F301 HydrophobicContact CD2-CE2 4.14Å; L267-F301 HydrophobicContact CD2-CZ 4.18Å; L267-F301 HydrophobicContact CG-CE2 4.13Å; L267-F301 HydrophobicContact CG-CZ 4.31Å; R268-F301 HydrophobicContact CB-CD1 4.16Å; R268-F301 HydrophobicContact CB-CD2 4.45Å; R268-F301 HydrophobicContact CB-CE1 3.63Å; R268-F301 HydrophobicContact CB-CE2 3.99Å; R268-F301 HydrophobicContact CB-CZ 3.52Å; R268-F301 HydrophobicContact CG-CD1 4.05Å; R268-F301 HydrophobicContact CG-CE1 4.04Å; R268-F301 HydrophobicContact CG-CG 4.31Å; R268-F301 HydrophobicContact CG-CZ 4.28Å; R268-F301 VanDerWaalsContact N-CZ 3.35Å; T271-F301 HydrophobicContact CG2-CD2 3.89Å; T271-F301 HydrophobicContact CG2-CE2 4.47Å; F301-G303 PolarHBondContact O-N 3.4Å; F301-F304 HydrophobicContact CB-CD2 3.84Å; F301-F304 PolarHBondContact O-N 3.05Å
302V94.3Very high95.2Very high2 Ų223.4 Ų23.41%0.01213%0.128CC..G310 helixtrans-58.6-20.1-171.4-60.10000114.5Q94 L97 I99 C299 D300 F307Q94-V302 HydrophobicContact CG-CG2 4.18Å; L97-V302 HydrophobicContact CD1-CG2 4.12Å; I99-V302 HydrophobicContact CD1-CB 4Å; I99-V302 HydrophobicContact CD1-CG1 3.75Å; I99-V302 HydrophobicContact CD1-CG2 4.19Å; I99-V302 HydrophobicContact CG1-CB 4.36Å; I99-V302 HydrophobicContact CG1-CG1 4.47Å; I99-V302 HydrophobicContact CG1-CG2 4.02Å; C299-V302 WeakPolarHBondContact O-CG1 3.14Å; D300-V302 PolarHBondContact O-N 3.3Å; V302-F307 HydrophobicContact CB-CD1 4.48Å; V302-F307 HydrophobicContact CG1-CD1 4.12Å; V302-F307 HydrophobicContact CG1-CE1 4.24Å
303G89.5Confident95.6Very high33 Ų3324 Ų2434%0.3414%0.135SC..G310 helixtrans-81.5-3.1176.500000116.2F301F301-G303 PolarHBondContact O-N 3.4Å
304F85.6Confident95.8Very high91 Ų9120 Ų2040%0.39912%0.119SC..G310 helixtrans-105.49.9-174.7-69.4-83.9000114.2Q88 F301Q88-F304 HydrophobicContact CB-CE2 4.17Å; Q88-F304 HydrophobicContact CG-CE2 4.26Å; F301-F304 HydrophobicContact CB-CD2 3.84Å; F301-F304 PolarHBondContact O-N 3.05Å
305S86.4Confident95.9Very high20 Ų2020 Ų2014%0.1412%0.119CC..SBendtrans-157.1175.1-17771.60000113.6F307S305-F307 PolarHBondContact O-N 2.82Å; S305-F307 WeakPolarHBondContact OG-CB 3.07Å; S305-F307 PolarHBondContact OG-N 3.02Å
306Q92.8Very high95.8Very high125 Ų12524.1 Ų24.158%0.58414%0.138SC*.SBendtrans-79.514.4173.4-59.4177.322.500112.7V15 C308 S309 I310V15-Q306 HydrophobicContact CG1-CG 4.08Å; Q306-C308 PolarHBondContact O-N 3.21Å; Q306-S309 PolarHBondContact O-N 3.01Å; Q306-S309 VanDerWaalsContact O-N 3.13Å; Q306-I310 HydrophobicContact CB-CD1 4.29Å; Q306-I310 HydrophobicContact CB-CG1 4.43Å; Q306-I310 WeakPolarHBondContact O-CG1 3.35Å; Q306-I310 PolarHBondContact O-N 3.33Å
307F96.7Very high95.6Very high0 Ų026.9 Ų26.90%015%0.149CC..Hα-helixtrans-47.8-55.1-175.7169.6-110.3000113P41 G42 I99 L250 L279 V297 C299 V302 S305 S309 I310 V311P41-F307 HydrophobicContact CB-CE1 4.22Å; G42-F307 WeakPolarHBondContact O-CE1 3.32Å; I99-F307 HydrophobicContact CD1-CE1 4.31Å; L250-F307 HydrophobicContact CD1-CD2 4.2Å; L250-F307 HydrophobicContact CD1-CE2 3.73Å; L279-F307 HydrophobicContact CD2-CB 3.92Å; L279-F307 HydrophobicContact CD2-CD2 3.74Å; L279-F307 HydrophobicContact CD2-CG 4.33Å; V297-F307 HydrophobicContact CB-CE2 4.41Å; V297-F307 HydrophobicContact CB-CZ 4.37Å; V297-F307 HydrophobicContact CG1-CE2 3.82Å; V297-F307 HydrophobicContact CG1-CZ 4.13Å; V297-F307 VanDerWaalsContact O-CZ 3.31Å; V297-F307 WeakPolarHBondContact O-CZ 3.37Å; C299-F307 HydrophobicContact CB-CD1 3.9Å; C299-F307 HydrophobicContact CB-CD2 3.85Å; C299-F307 HydrophobicContact CB-CE1 3.67Å; C299-F307 HydrophobicContact CB-CE2 3.63Å; C299-F307 HydrophobicContact CB-CG 3.97Å; C299-F307 HydrophobicContact CB-CZ 3.51Å; V302-F307 HydrophobicContact CB-CD1 4.48Å; V302-F307 HydrophobicContact CG1-CD1 4.12Å; V302-F307 HydrophobicContact CG1-CE1 4.24Å; S305-F307 PolarHBondContact O-N 2.82Å; S305-F307 WeakPolarHBondContact OG-CB 3.07Å; S305-F307 PolarHBondContact OG-N 3.02Å; F307-S309 VanDerWaalsContact C-N 3.35Å; F307-S309 PolarHBondContact O-N 3.47Å; F307-I310 PolarHBondContact O-N 3.35Å; F307-V311 HydrophobicContact CD2-CG2 4.03Å; F307-V311 HydrophobicContact CE2-CG2 3.6Å; F307-V311 HydrophobicContact CZ-CG2 3.92Å; F307-V311 WeakPolarHBondContact O-CG2 3.27Å; F307-V311 PolarHBondContact O-N 2.87Å
308C97.5Very high95.3Very high5 Ų528.5 Ų28.53%0.03416%0.158CC..Hα-helixtrans-58.6-47.4-179.4-640000111.4P41 L97 Q306 I310 V311 I312P41-C308 HydrophobicContact CB-CB 4.47Å; L97-C308 WeakPolarHBondContact O-CB 3.36Å; L97-C308 PolarHBondContact O-SG 3.48Å; L97-C308 VanDerWaalsContact O-SG 3.41Å; Q306-C308 PolarHBondContact O-N 3.21Å; C308-I310 VanDerWaalsContact C-N 3.31Å; C308-I310 PolarHBondContact O-N 2.63Å; C308-V311 PolarHBondContact O-N 3.32Å; C308-I312 HydrophobicContact CB-CD1 4.41Å; C308-I312 WeakPolarHBondContact O-CB 3.27Å; C308-I312 WeakPolarHBondContact O-CD1 3.22Å; C308-I312 WeakPolarHBondContact O-CG1 3.25Å; C308-I312 PolarHBondContact O-N 3.36Å
309S97.6Very high94.7Very high50 Ų5030.3 Ų30.335%0.3517%0.169SC..Hα-helixtrans-61.3-37.9179-590000112.4N19 Q306 F307 G313N19-S309 PolarHBondContact ND2-OG 3.47Å; N19-S309 VanDerWaalsContact ND2-OG 3.09Å; Q306-S309 PolarHBondContact O-N 3.01Å; Q306-S309 VanDerWaalsContact O-N 3.13Å; F307-S309 VanDerWaalsContact C-N 3.35Å; F307-S309 PolarHBondContact O-N 3.47Å; S309-G313 PolarHBondContact O-N 3.2Å
310I98Very high94Very high37 Ų3736.9 Ų36.919%0.1920%0.198CC..Hα-helixtrans-64-50.9175.6-69.9167.9000110.4L279 T282 A283 Q306 F307 C308 G313 L314L279-I310 HydrophobicContact CB-CD1 3.96Å; L279-I310 HydrophobicContact CD1-CD1 4.09Å; L279-I310 HydrophobicContact CD2-CD1 4.2Å; L279-I310 HydrophobicContact CG-CD1 4.31Å; T282-I310 HydrophobicContact CG2-CG2 3.95Å; A283-I310 HydrophobicContact CB-CG2 3.86Å; Q306-I310 HydrophobicContact CB-CD1 4.29Å; Q306-I310 HydrophobicContact CB-CG1 4.43Å; Q306-I310 WeakPolarHBondContact O-CG1 3.35Å; Q306-I310 PolarHBondContact O-N 3.33Å; F307-I310 PolarHBondContact O-N 3.35Å; C308-I310 VanDerWaalsContact C-N 3.31Å; C308-I310 PolarHBondContact O-N 2.63Å; I310-G313 PolarHBondContact O-N 2.8Å; I310-L314 WeakPolarHBondContact O-CG 3.49Å; I310-L314 PolarHBondContact O-N 3.13Å
311V98.6Very high93Very high0 Ų038.8 Ų38.80%021%0.213CC..Hα-helixtrans-64.1-47-178.41790000111.1A39 P41 T282 V297 F307 C308 G313 L314A39-V311 HydrophobicContact CB-CG1 4.09Å; A39-V311 WeakPolarHBondContact CB-O 3.39Å; P41-V311 HydrophobicContact CB-CB 4.04Å; P41-V311 HydrophobicContact CB-CG1 4.05Å; T282-V311 HydrophobicContact CG2-CG2 3.73Å; V297-V311 HydrophobicContact CB-CG1 4.43Å; V297-V311 HydrophobicContact CB-CG2 4.05Å; V297-V311 HydrophobicContact CG1-CG2 4.43Å; V297-V311 HydrophobicContact CG2-CG1 4.49Å; F307-V311 HydrophobicContact CD2-CG2 4.03Å; F307-V311 HydrophobicContact CE2-CG2 3.6Å; F307-V311 HydrophobicContact CZ-CG2 3.92Å; F307-V311 WeakPolarHBondContact O-CG2 3.27Å; F307-V311 PolarHBondContact O-N 2.87Å; C308-V311 PolarHBondContact O-N 3.32Å; V311-G313 VanDerWaalsContact C-N 3.26Å; V311-G313 PolarHBondContact O-N 3.43Å; V311-L314 VanDerWaalsContact O-CB 3.26Å; V311-L314 WeakPolarHBondContact O-CB 3.44Å; V311-L314 WeakPolarHBondContact O-CG 3.47Å; V311-L314 PolarHBondContact O-N 2.95Å
312I98.3Very high91.9Very high13 Ų1341.5 Ų41.57%0.06724%0.237CC..Hα-helixtrans-57.2-44175.3-68.1164.7000110.1N19 W22 P41 C308 L314 N315N19-I312 HydrophobicContact CB-CD1 3.97Å; W22-I312 HydrophobicContact CB-CD1 3.97Å; W22-I312 HydrophobicContact CB-CG2 4.14Å; W22-I312 HydrophobicContact CD2-CD1 3.98Å; W22-I312 HydrophobicContact CD2-CG1 3.74Å; W22-I312 HydrophobicContact CD2-CG2 4.06Å; W22-I312 HydrophobicContact CE3-CB 4.45Å; W22-I312 HydrophobicContact CE3-CG1 4.09Å; W22-I312 HydrophobicContact CE3-CG2 3.77Å; W22-I312 HydrophobicContact CG-CD1 3.59Å; W22-I312 HydrophobicContact CG-CG1 3.92Å; W22-I312 HydrophobicContact CG-CG2 4.24Å; W22-I312 HydrophobicContact CZ2-CG1 4.45Å; W22-I312 HydrophobicContact CZ3-CG2 4.47Å; P41-I312 HydrophobicContact CG-CD1 4.45Å; P41-I312 HydrophobicContact CG-CG1 4.1Å; C308-I312 HydrophobicContact CB-CD1 4.41Å; C308-I312 WeakPolarHBondContact O-CB 3.27Å; C308-I312 WeakPolarHBondContact O-CD1 3.22Å; C308-I312 WeakPolarHBondContact O-CG1 3.25Å; C308-I312 PolarHBondContact O-N 3.36Å; I312-L314 PolarHBondContact O-N 3.29Å; I312-L314 VanDerWaalsContact O-N 3.16Å; I312-N315 WeakPolarHBondContact O-CB 3.46Å; I312-N315 PolarHBondContact O-N 3.3Å; I312-N315 VanDerWaalsContact O-N 3.12Å; I312-N315 PolarHBondContact O-ND2 3.03Å; I312-N315 VanDerWaalsContact O-ND2 3.14Å
313G97.7Very high90.8Very high33 Ų3344 Ų4434%0.3426%0.258SS..Hα-helixtrans-57.8-26.2177.700000114.4S309 I310 V311 N315 F316S309-G313 PolarHBondContact O-N 3.2Å; I310-G313 PolarHBondContact O-N 2.8Å; V311-G313 VanDerWaalsContact C-N 3.26Å; V311-G313 PolarHBondContact O-N 3.43Å; G313-N315 PolarHBondContact O-N 2.82Å; G313-F316 PolarHBondContact O-N 3.29Å
314L98.3Very high90Very high3 Ų351.3 Ų51.32%0.01628%0.275CS..Hα-helixtrans-64.1-29.2178-57.5-176.5000112.6A39 T282 Q285 P287 V294 I310 V311 I312 F316 K317A39-L314 HydrophobicContact CB-CB 3.74Å; A39-L314 HydrophobicContact CB-CD1 4.17Å; A39-L314 HydrophobicContact CB-CG 4.47Å; T282-L314 HydrophobicContact CG2-CD1 4.46Å; Q285-L314 HydrophobicContact CB-CD1 4.06Å; Q285-L314 WeakPolarHBondContact O-CD2 3.4Å; P287-L314 WeakPolarHBondContact CD-O 3.42Å; P287-L314 HydrophobicContact CG-CB 4.43Å; V294-L314 HydrophobicContact CG2-CD1 4.15Å; I310-L314 WeakPolarHBondContact O-CG 3.49Å; I310-L314 PolarHBondContact O-N 3.13Å; V311-L314 VanDerWaalsContact O-CB 3.26Å; V311-L314 WeakPolarHBondContact O-CB 3.44Å; V311-L314 WeakPolarHBondContact O-CG 3.47Å; V311-L314 PolarHBondContact O-N 2.95Å; I312-L314 PolarHBondContact O-N 3.29Å; I312-L314 VanDerWaalsContact O-N 3.16Å; L314-F316 VanDerWaalsContact C-N 3.26Å; L314-F316 PolarHBondContact O-N 3.47Å; L314-K317 HydrophobicContact CD2-CD 4.33Å; L314-K317 VanDerWaalsContact O-CB 3.26Å; L314-K317 WeakPolarHBondContact O-CB 3.44Å; L314-K317 PolarHBondContact O-N 2.84Å
315N98.1Very high89.2Confident0 Ų051.7 Ų51.70%029%0.285CS..THydrogen-bonded Turntrans-60.9-34.5179.4-69.1-59.3000112.2L26 L30 L38 A39 I312 G313 K317 L318L26-N315 HydrophobicContact CD2-CB 3.97Å; L30-N315 HydrophobicContact CD1-CB 4.1Å; L38-N315 WeakPolarHBondContact CA-OD1 3.47Å; A39-N315 PolarHBondContact N-OD1 2.83Å; A39-N315 PolarHBondContact O-ND2 3.23Å; I312-N315 WeakPolarHBondContact O-CB 3.46Å; I312-N315 PolarHBondContact O-N 3.3Å; I312-N315 VanDerWaalsContact O-N 3.12Å; I312-N315 PolarHBondContact O-ND2 3.03Å; I312-N315 VanDerWaalsContact O-ND2 3.14Å; G313-N315 PolarHBondContact O-N 2.82Å; N315-K317 PolarHBondContact O-N 3.28Å; N315-K317 VanDerWaalsContact O-N 3.14Å; N315-L318 VanDerWaalsContact O-CB 3.29Å; N315-L318 WeakPolarHBondContact O-CB 3.46Å; N315-L318 PolarHBondContact O-N 3.47Å
316F96Very high87.9Confident88 Ų8854.4 Ų54.439%0.38630%0.304SS..Hα-helixtrans-68.2-13.2177.2-62-83.7000113.5L26 P27 G313 L314 L318 K320L26-F316 HydrophobicContact CD2-CZ 4.42Å; P27-F316 HydrophobicContact CG-CD1 4.17Å; P27-F316 HydrophobicContact CG-CE1 3.93Å; G313-F316 PolarHBondContact O-N 3.29Å; L314-F316 VanDerWaalsContact C-N 3.26Å; L314-F316 PolarHBondContact O-N 3.47Å; F316-L318 VanDerWaalsContact C-N 3.3Å; F316-K320 PolarHBondContact O-N 2.93Å
317K95.2Very high86.2Confident57 Ų5752 Ų5225%0.24830%0.301CS..Hα-helixtrans-72.4-24.4171.2-58.7-177.4-176.4178.30112.3A283 Q285 R286 L314 N315 A321A283-K317 PolarHBondContact O-NZ 3.29Å; Q285-K317 PolarHBondContact O-NZ 3.02Å; R286-K317 HydrophobicContact CG-CD 4.11Å; L314-K317 HydrophobicContact CD2-CD 4.33Å; L314-K317 VanDerWaalsContact O-CB 3.26Å; L314-K317 WeakPolarHBondContact O-CB 3.44Å; L314-K317 PolarHBondContact O-N 2.84Å; N315-K317 PolarHBondContact O-N 3.28Å; N315-K317 VanDerWaalsContact O-N 3.14Å; K317-A321 PolarHBondContact O-N 3.42Å
318L91.1Very high83.9Confident34 Ų3454.9 Ų54.918%0.17833%0.33CS..Hα-helixtrans-65.5-46.6174.8-68.2171.8000110.9L30 L38 P287 N315 F316 K320 A321 A322L30-L318 HydrophobicContact CD2-CB 3.81Å; L30-L318 HydrophobicContact CD2-CD1 4.15Å; L38-L318 HydrophobicContact CD2-CD1 4.13Å; P287-L318 HydrophobicContact CG-CD1 3.92Å; P287-L318 HydrophobicContact CG-CD2 4.25Å; P287-L318 HydrophobicContact CG-CG 3.89Å; P287-L318 VanDerWaalsContact O-CD2 3.28Å; P287-L318 WeakPolarHBondContact O-CD2 3.45Å; N315-L318 VanDerWaalsContact O-CB 3.29Å; N315-L318 WeakPolarHBondContact O-CB 3.46Å; N315-L318 PolarHBondContact O-N 3.47Å; F316-L318 VanDerWaalsContact C-N 3.3Å; L318-K320 PolarHBondContact O-N 3.03Å; L318-A321 WeakPolarHBondContact O-CB 3.37Å; L318-A321 PolarHBondContact O-N 3.3Å; L318-A321 VanDerWaalsContact O-N 3.13Å; L318-A322 PolarHBondContact O-N 2.97Å
319V87.1Confident81.4Confident39 Ų3964.8 Ų64.824%0.23637%0.369CS..Hα-helixtrans-60.7-46.4179-176.70000111.1P27 L30 A321 A322 A323P27-V319 HydrophobicContact CB-CG2 4.29Å; P27-V319 HydrophobicContact CG-CG2 4.12Å; L30-V319 HydrophobicContact CD1-CG2 3.95Å; L30-V319 HydrophobicContact CD2-CG2 3.84Å; L30-V319 HydrophobicContact CG-CG2 3.84Å; V319-A321 PolarHBondContact O-N 3.38Å; V319-A322 PolarHBondContact O-N 3.21Å; V319-A323 PolarHBondContact O-N 3.44Å
320K81.4Confident79Confident139 Ų13969.5 Ų69.560%0.60439%0.389SS*.Hα-helixtrans-60.8-32.7177.2-69.9179-177.6177.60112.7F316 L318 R324F316-K320 PolarHBondContact O-N 2.93Å; L318-K320 PolarHBondContact O-N 3.03Å; K320-R324 VanDerWaalsContact O-CG 3.3Å; K320-R324 WeakPolarHBondContact O-CG 3.3Å; K320-R324 PolarHBondContact O-N 3.22Å
321A77.2Confident76.6Confident40 Ų4077.9 Ų77.933%0.33142%0.418SS..Hα-helixtrans-72.5-45.7176.300000111.2K317 L318 V319 A323 R324 T325K317-A321 PolarHBondContact O-N 3.42Å; L318-A321 WeakPolarHBondContact O-CB 3.37Å; L318-A321 PolarHBondContact O-N 3.3Å; L318-A321 VanDerWaalsContact O-N 3.13Å; V319-A321 PolarHBondContact O-N 3.38Å; A321-A323 PolarHBondContact O-N 2.85Å; A321-R324 PolarHBondContact O-N 3.11Å; A321-T325 PolarHBondContact O-N 3.15Å; A321-T325 VanDerWaalsContact O-N 3.17Å; A321-T325 PolarHBondContact O-OG1 2.74Å
322A72.7Confident73.9Confident63 Ų6386 Ų8652%0.52146%0.462SS..Hα-helixtrans-58.5-45.4177.700000112.2L318 V319 R324 T325 S326L318-A322 PolarHBondContact O-N 2.97Å; V319-A322 PolarHBondContact O-N 3.21Å; A322-R324 VanDerWaalsContact C-N 3.3Å; A322-R324 PolarHBondContact O-N 2.68Å; A322-T325 PolarHBondContact O-N 3.04Å; A322-S326 PolarHBondContact O-N 2.89Å; A322-S326 VanDerWaalsContact O-N 3.09Å; A322-S326 PolarHBondContact O-OG 2.75Å; A322-S326 VanDerWaalsContact O-OG 3.12Å
323A71.9Confident71Confident55 Ų5594 Ų9446%0.45550%0.499SS..Hα-helixtrans-62.9-32177.900000113.8V319 A321 S326 S327V319-A323 PolarHBondContact O-N 3.44Å; A321-A323 PolarHBondContact O-N 2.85Å; A323-S326 WeakPolarHBondContact CA-OG 3.45Å; A323-S326 PolarHBondContact O-OG 3.43Å; A323-S326 VanDerWaalsContact O-OG 3.11Å; A323-S327 WeakPolarHBondContact O-CB 3.41Å; A323-S327 PolarHBondContact O-N 3.08Å; A323-S327 VanDerWaalsContact O-N 3.11Å
324R71.6Confident68.2Low185 Ų18598 Ų9870%0.69852%0.518SS*.Hα-helixtrans-72.7-38.9176.2-74.5173.9-178.4-169.3-0.6111.7K320 A321 A322 S327 G328K320-R324 VanDerWaalsContact O-CG 3.3Å; K320-R324 WeakPolarHBondContact O-CG 3.3Å; K320-R324 PolarHBondContact O-N 3.22Å; A321-R324 PolarHBondContact O-N 3.11Å; A322-R324 VanDerWaalsContact C-N 3.3Å; A322-R324 PolarHBondContact O-N 2.68Å; R324-S327 PolarHBondContact O-N 3.16Å; R324-G328 PolarHBondContact O-N 2.68Å; R324-G328 VanDerWaalsContact O-N 3.1Å
325T68.9Low65.3Low99 Ų99106 Ų10661%0.60756%0.561SS**Hα-helixtrans-65.8-41.2177.1-50.80000111.3A321 A322 G328A321-T325 PolarHBondContact O-N 3.15Å; A321-T325 VanDerWaalsContact O-N 3.17Å; A321-T325 PolarHBondContact O-OG1 2.74Å; A322-T325 PolarHBondContact O-N 3.04Å; T325-G328 PolarHBondContact O-N 3.31Å
326S59.9Low62.5Low77 Ų77114.6 Ų114.654%0.53860%0.601SS.*Hα-helixtrans-70.9-34.6177.249.60000113.4A322 A323A322-S326 PolarHBondContact O-N 2.89Å; A322-S326 VanDerWaalsContact O-N 3.09Å; A322-S326 PolarHBondContact O-OG 2.75Å; A322-S326 VanDerWaalsContact O-OG 3.12Å; A323-S326 WeakPolarHBondContact CA-OG 3.45Å; A323-S326 PolarHBondContact O-OG 3.43Å; A323-S326 VanDerWaalsContact O-OG 3.11Å
327S57.1Low59.9Low76 Ų76118.6 Ų118.653%0.53163%0.625SS.*Hα-helixtrans-74.3-22.8175.2-175.50000114A323 R324 Y329A323-S327 WeakPolarHBondContact O-CB 3.41Å; A323-S327 PolarHBondContact O-N 3.08Å; A323-S327 VanDerWaalsContact O-N 3.11Å; R324-S327 PolarHBondContact O-N 3.16Å; S327-Y329 VanDerWaalsContact C-N 3.31Å
328G47.3Very low57.1Low59 Ų59122 Ų12261%0.60865%0.651SS**Hα-helixtrans-75.3-16.3179.100000114.5R324 T325R324-G328 PolarHBondContact O-N 2.68Å; R324-G328 VanDerWaalsContact O-N 3.1Å; T325-G328 PolarHBondContact O-N 3.31Å
329Y46.3Very low55Low213 Ų213125.9 Ų125.984%0.83568%0.678SS**THydrogen-bonded Turntrans-86.3-2.7177.4-109.4-90.5000114.1S327S327-Y329 VanDerWaalsContact C-N 3.31Å
330L46.7Very low53Low149 Ų149132.4 Ų132.478%0.7871%0.71SS**THydrogen-bonded Turntrans-106.416.4-175.3-83164000114.5
331R46.9Very low51.4Low213 Ų213135.9 Ų135.980%0.80474%0.743SS**  trans-140.188173.7-68.1-172.5-166.2-173.23.2111.5
332D41.6Very low50.2Low170 Ų170140.7 Ų140.791%0.90976%0.763SS**  trans-154.973.2147.2-89.1-27.6000107
333E39Very low49Very low183 Ų183144.7 Ų144.786%0.85578%0.776SS**  trans-91.9127.3157.1-85.3-116.5133.200107.3L335E333-L335 PolarHBondContact O-N 2.92Å
334P38.5Very low47.7Very low115 Ų115149.7 Ų149.775%0.74779%0.794SS**  trans-70126.1179.326.8-29.6000109.9E336P334-E336 PolarHBondContact O-N 3.19Å
335L37.9Very low46.3Very low172 Ų172147.6 Ų147.690%0.90180%0.799SS**  trans-59.3103.7168.5-87.4144000109.4E333 L337E333-L335 PolarHBondContact O-N 2.92Å; L335-L337 PolarHBondContact O-N 2.81Å
336E37.5Very low44.9Very low181 Ų181150.7 Ų150.785%0.84681%0.811SS**  trans-60.3117.4162.6-84.3-169.4148.600109.3P334 V338P334-E336 PolarHBondContact O-N 3.19Å; E336-V338 PolarHBondContact O-N 2.81Å
337L41.3Very low43.9Very low172 Ų172155.6 Ų155.690%0.90183%0.83SS**  trans-69.2108.3170-81.8152.5000109.2L335L335-L337 PolarHBondContact O-N 2.81Å
338V38.1Very low42.9Very low128 Ų128161.3 Ų161.378%0.77685%0.851SS**PPolyproline II helixtrans-76.6123.4165.8-176.50000108.4E336E336-V338 PolarHBondContact O-N 2.81Å
339P45.1Very low42.6Very low115 Ų115169.2 Ų169.275%0.74787%0.87SS**PPolyproline II helixtrans-79.3131.1176.731.2-30.7000110.4
340L45Very low42.3Very low177 Ų177165.5 Ų165.593%0.92787%0.872SS**PPolyproline II helixtrans-74.7127.9170.9-79.5151.3000109.9
341V49.7Very low41.9Very low211 Ų211167 Ų167100%1.27988%0.881SS**  trans-95.10159.6178.90000108.3

Retrieved 341 of 341 residues in 442.8 ms (Link to these results)

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