A0A3Q0KVF1_SCHMA Loading...

RRM domain-containing protein

AlphaFold DB (A0A5K4EZS2), UniProt , Accession A0A3Q0KVF1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 372 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M37.3Very low44.6Very low243 Ų243148.8 Ų148.8100%1.19780%0.799SS**  0110.80-72.6-177.4173.200106.7L3M1-L3 PolarHBondContact O-N 3.14Å
2S40.2Very low46.8Very low105 Ų105139.3 Ų139.373%0.73475%0.75SS**  trans-63.9119.7-174.3-1780000110.3T4S2-T4 VanDerWaalsContact C-N 3.25Å; S2-T4 PolarHBondContact O-N 3.38Å
3L40.6Very low49.5Very low176 Ų176132.3 Ų132.392%0.92172%0.715SS**  trans-75.284.8165.6-86.9159.6000107.3M1 Q5M1-L3 PolarHBondContact O-N 3.14Å; L3-Q5 PolarHBondContact O-N 3.37Å
4T45.9Very low52Low107 Ų107124.1 Ų124.166%0.65667%0.673SS**  trans-67.8102.4162.448.30000107.2S2 T6S2-T4 VanDerWaalsContact C-N 3.25Å; S2-T4 PolarHBondContact O-N 3.38Å; T4-T6 VanDerWaalsContact C-N 3.31Å; T4-T6 PolarHBondContact O-N 3.38Å
5Q40Very low54.3Low165 Ų165115.9 Ų115.977%0.77163%0.628SS**  trans-62.495.8169.2-141.4160.836.900107L3 Y7L3-Q5 PolarHBondContact O-N 3.37Å; Q5-Y7 HydrophobicContact CG-CD2 4.13Å; Q5-Y7 HydrophobicContact CG-CE2 4.17Å; Q5-Y7 PolarHBondContact O-N 3.34Å
6T37.1Very low56.3Low130 Ų130108.7 Ų108.780%0.79859%0.59SS**  trans-70.682.2170.8450000107.8T4T4-T6 VanDerWaalsContact C-N 3.31Å; T4-T6 PolarHBondContact O-N 3.38Å
7Y43.5Very low58Low190 Ų190102.3 Ų102.375%0.74556%0.555SS**  trans-69.4124.1158.6-99-90.3000107.6Q5 S9Q5-Y7 HydrophobicContact CG-CD2 4.13Å; Q5-Y7 HydrophobicContact CG-CE2 4.17Å; Q5-Y7 PolarHBondContact O-N 3.34Å; Y7-S9 PolarHBondContact O-N 3.34Å; Y7-S9 VanDerWaalsContact O-N 3.09Å
8Q44Very low59.5Low194 Ų194100.4 Ų100.491%0.90754%0.539SS*.  trans-59.8113.5176.4-71.7179.8-3.800109G10Q8-G10 VanDerWaalsContact C-N 3.28Å; Q8-G10 PolarHBondContact O-N 3.07Å
9S44Very low60.5Low102 Ų10299.9 Ų99.971%0.71354%0.536SS*.  trans-69.175.7177.947.20000111.6Y7 Q11Y7-S9 PolarHBondContact O-N 3.34Å; Y7-S9 VanDerWaalsContact O-N 3.09Å; S9-Q11 PolarHBondContact O-N 3.38Å
10G54.5Low61.4Low53 Ų5395.1 Ų95.155%0.54651%0.51SS..  trans-86.692.8170.700000111.3Q8 V12Q8-G10 VanDerWaalsContact C-N 3.28Å; Q8-G10 PolarHBondContact O-N 3.07Å; G10-V12 WeakPolarHBondContact O-CG2 3.25Å; G10-V12 PolarHBondContact O-N 3.43Å
11Q63.2Low61.8Low172 Ų17291.3 Ų91.380%0.80449%0.491SS*.  trans31.538.1162.8-57.3-171.42.900118.8S9 T13 A62S9-Q11 PolarHBondContact O-N 3.38Å; Q11-T13 PolarHBondContact O-N 2.89Å; Q11-A62 HydrophobicContact CB-CB 4.47Å
12V71.5Confident63.4Low34 Ų3485.7 Ų85.721%0.20648%0.475CS..  trans-74.6119.8-176.2-172.80000109.5G10 S14 A62 C65 L87 N88G10-V12 WeakPolarHBondContact O-CG2 3.25Å; G10-V12 PolarHBondContact O-N 3.43Å; V12-S14 VanDerWaalsContact CG1-O 3.22Å; V12-S14 WeakPolarHBondContact CG1-O 3.26Å; V12-A62 WeakPolarHBondContact O-CA 3.08Å; V12-C65 VanDerWaalsContact O-CB 3.25Å; V12-C65 WeakPolarHBondContact O-CB 3.49Å; V12-C65 PolarHBondContact O-SG 3.19Å; V12-L87 HydrophobicContact CB-CD2 4.49Å; V12-L87 HydrophobicContact CG1-CB 4.32Å; V12-N88 WeakPolarHBondContact CG1-O 3.06Å
13T82.3Confident64.8Low49 Ų4984.5 Ų84.530%0.30147%0.467SS..  trans-103.44.7177.353.60000113.1Q11 Q58 F59Q11-T13 PolarHBondContact O-N 2.89Å; T13-Q58 WeakPolarHBondContact O-CA 3.33Å; T13-F59 WeakPolarHBondContact CB-O 3.29Å; T13-F59 PolarHBondContact O-N 2.98Å
14S84.5Confident66.3Low18 Ų1876.3 Ų76.313%0.12643%0.425CS..EExtended strand (participates in β ladder)trans-121.4129.8179.5-58.50000111V12 L57 N88V12-S14 VanDerWaalsContact CG1-O 3.22Å; V12-S14 WeakPolarHBondContact CG1-O 3.26Å; S14-L57 CarbonylContact C-O 3.56Å; S14-L57 WeakPolarHBondContact CA-O 3.47Å; S14-N88 WeakPolarHBondContact CB-O 3.35Å; S14-N88 PolarHBondContact O-N 3.13Å
15L86.4Confident67.7Low0 Ų075.5 Ų75.50%042%0.417CS..EExtended strand (participates in β ladder)trans-120.9119.3-179.4-174.569.8000108.4V17 I56 L57 F59 A68 Y69 A85 L87L15-V17 HydrophobicContact CD2-CG2 4.3Å; L15-V17 HydrophobicContact CG-CG2 4.3Å; L15-I56 WeakPolarHBondContact O-CA 3.36Å; L15-L57 HydrophobicContact CB-CB 4.25Å; L15-L57 HydrophobicContact CD2-CD1 4.32Å; L15-L57 PolarHBondContact N-O 3.46Å; L15-L57 PolarHBondContact O-N 3.5Å; L15-F59 HydrophobicContact CB-CD2 4.3Å; L15-F59 HydrophobicContact CB-CE2 3.71Å; L15-F59 HydrophobicContact CD2-CE2 3.86Å; L15-F59 HydrophobicContact CD2-CZ 4.19Å; L15-F59 HydrophobicContact CG-CE2 4.45Å; L15-A68 HydrophobicContact CD2-CB 3.78Å; L15-Y69 HydrophobicContact CD1-CD2 3.78Å; L15-Y69 HydrophobicContact CD1-CG 4.2Å; L15-A85 HydrophobicContact CD1-CB 3.92Å; L15-A85 HydrophobicContact CD2-CB 4.31Å; L15-A85 HydrophobicContact CG-CB 4.13Å; L15-L87 HydrophobicContact CD1-CD2 4.01Å
16A86.3Confident69.6Low1 Ų172.3 Ų72.31%0.00840%0.402CS..EExtended strand (participates in β ladder)trans-86.9124.2171.300000108.9Y18 A85 E86 N88A16-Y18 HydrophobicContact CB-CE2 3.72Å; A16-A85 CarbonylContact O-C 3.54Å; A16-A85 VanDerWaalsContact O-CA 3.24Å; A16-A85 WeakPolarHBondContact O-CA 3.22Å; A16-E86 PolarHBondContact N-O 3.36Å; A16-E86 PolarHBondContact O-N 2.72Å; A16-N88 HydrophobicContact CB-CB 4.23Å
17V85.2Confident71.8Confident0 Ų071.3 Ų71.30%040%0.396CS..EExtended strand (participates in β ladder)trans-109.8131.5176.2-175.50000108.7L15 L20 M54 C55 L57 V83 H84 A85L15-V17 HydrophobicContact CD2-CG2 4.3Å; L15-V17 HydrophobicContact CG-CG2 4.3Å; V17-L20 HydrophobicContact CG1-CD1 4.47Å; V17-L20 HydrophobicContact CG1-CD2 4.07Å; V17-L20 HydrophobicContact CG1-CG 4.27Å; V17-M54 CarbonylContact O-C 3.58Å; V17-M54 VanDerWaalsContact O-CA 3.23Å; V17-M54 WeakPolarHBondContact O-CA 3.46Å; V17-C55 PolarHBondContact N-O 2.72Å; V17-C55 PolarHBondContact O-N 2.89Å; V17-C55 VanDerWaalsContact O-O 3.12Å; V17-L57 HydrophobicContact CG2-CD1 3.63Å; V17-L57 HydrophobicContact CG2-CG 4.08Å; V17-V83 HydrophobicContact CG1-CB 3.79Å; V17-V83 HydrophobicContact CG1-CG1 4.17Å; V17-V83 HydrophobicContact CG1-CG2 4.28Å; V17-H84 CarbonylContact C-O 3.22Å; V17-H84 WeakPolarHBondContact CA-O 3.09Å; V17-A85 HydrophobicContact CG2-CB 4.35Å
18Y83.8Confident73.6Confident68 Ų6865.3 Ų65.327%0.26738%0.375SS..EExtended strand (participates in β ladder)trans-120166-175.7-55.2-104.7000110.4A16 L20 G53 M54 H84 E86A16-Y18 HydrophobicContact CB-CE2 3.72Å; Y18-L20 VanDerWaalsContact C-N 3.32Å; Y18-L20 PolarHBondContact O-N 3.46Å; Y18-G53 CarbonylContact C-O 3.53Å; Y18-M54 HydrophobicContact CD1-CE 3.45Å; Y18-M54 VanDerWaalsContact CD1-CE 3.45Å; Y18-M54 HydrophobicContact CE1-CE 2.91Å; Y18-M54 HydrophobicContact CE2-CE 4.47Å; Y18-M54 HydrophobicContact CG-CE 4.44Å; Y18-H84 PolarHBondContact N-O 2.94Å; Y18-H84 PolarHBondContact O-N 3.19Å; Y18-H84 VanDerWaalsContact O-N 3.08Å; Y18-E86 HydrophobicContact CE2-CB 3.67Å; Y18-E86 WeakPolarHBondContact CE2-OE2 3.38Å; Y18-E86 PolarHBondContact OH-OE2 3.17Å
19N80.2Confident75.4Confident91 Ų9156.1 Ų56.149%0.48733%0.331SS..  trans62.635.8178.2-16145.3000113.7G53 Q81 L82N19-G53 PolarHBondContact N-O 2.93Å; N19-Q81 PolarHBondContact O-OE1 3.36Å; N19-L82 PolarHBondContact ND2-O 3.37Å
20L77.5Confident77.2Confident4 Ų455.5 Ų55.52%0.02132%0.317CS..  trans-77.5140.6170.4-61.6162.4000109.7V17 Y18 A24 V29 F41 G53 C55 I78 V83V17-L20 HydrophobicContact CG1-CD1 4.47Å; V17-L20 HydrophobicContact CG1-CD2 4.07Å; V17-L20 HydrophobicContact CG1-CG 4.27Å; Y18-L20 VanDerWaalsContact C-N 3.32Å; Y18-L20 PolarHBondContact O-N 3.46Å; L20-A24 HydrophobicContact CB-CB 3.97Å; L20-V29 HydrophobicContact CD2-CG2 4.11Å; L20-F41 HydrophobicContact CD1-CE1 4.22Å; L20-G53 WeakPolarHBondContact CB-O 3.48Å; L20-G53 PolarHBondContact N-O 2.85Å; L20-G53 WeakPolarHBondContact O-CA 3.25Å; L20-C55 HydrophobicContact CD1-CB 3.57Å; L20-C55 WeakPolarHBondContact CD1-SG 3.38Å; L20-I78 HydrophobicContact CD2-CB 4.09Å; L20-I78 HydrophobicContact CD2-CD1 3.76Å; L20-I78 HydrophobicContact CD2-CG1 4.4Å; L20-I78 HydrophobicContact CD2-CG2 4.03Å; L20-V83 HydrophobicContact CD2-CG1 3.74Å
21P70.8Confident78.6Confident15 Ų1557 Ų5710%0.09732%0.32CS..  trans-62.5151.9176.319.7-26.5000110.6S23 A24 I78 Q81P21-S23 PolarHBondContact O-N 3.08Å; P21-A24 HydrophobicContact CG-CB 3.94Å; P21-A24 WeakPolarHBondContact O-CB 3.25Å; P21-A24 PolarHBondContact O-N 3.03Å; P21-I78 WeakPolarHBondContact CD-O 3.12Å; P21-I78 WeakPolarHBondContact CG-O 3.48Å; P21-Q81 HydrophobicContact CB-CG 4.37Å
22S69.2Low79.5Confident125 Ų12550.3 Ų50.387%0.87429%0.29SS*.THydrogen-bonded Turntrans-61.2-15.9176.655.70000113.3
23S71Confident80.1Confident81 Ų8148.9 Ų48.957%0.56628%0.281SS*.THydrogen-bonded Turntrans-92.5-2.4173.1590000114.1P21 D25P21-S23 PolarHBondContact O-N 3.08Å; S23-D25 PolarHBondContact O-N 3.36Å
24A72Confident80.1Confident4 Ų451.4 Ų51.43%0.03330%0.299CS..  trans-67.7120.1179.200000109.9L20 P21 F41 I78L20-A24 HydrophobicContact CB-CB 3.97Å; P21-A24 HydrophobicContact CG-CB 3.94Å; P21-A24 WeakPolarHBondContact O-CB 3.25Å; P21-A24 PolarHBondContact O-N 3.03Å; A24-F41 HydrophobicContact CB-CE1 4.48Å; A24-I78 HydrophobicContact CB-CG2 4.37Å
25D74.9Confident80Confident90 Ų9053.2 Ų53.248%0.48131%0.311SS..  trans-105.2164.3173.8-74.6-43.1000111S23 T27 E28 V29 F41 R43S23-D25 PolarHBondContact O-N 3.36Å; D25-T27 PolarHBondContact O-N 3.2Å; D25-E28 PolarHBondContact O-N 3.33Å; D25-E28 VanDerWaalsContact O-N 3.07Å; D25-V29 PolarHBondContact O-N 3.39Å; D25-F41 VanDerWaalsContact C-CZ 3.44Å; D25-R43 IonicContact OD1-NH2 3.86Å; D25-R43 PolarHBondContact OD1-NH2 2.93Å
26E80.7Confident79.8Confident97 Ų9753.6 Ų53.645%0.45331%0.314SS..Hα-helixtrans-52.2-41.5179.2-179.9166.2-173.400113.1E28 V29 Q30 V39 F41E26-E28 VanDerWaalsContact C-N 3.3Å; E26-E28 PolarHBondContact O-N 3.32Å; E26-V29 PolarHBondContact O-N 3.42Å; E26-Q30 WeakPolarHBondContact O-CB 3.34Å; E26-Q30 PolarHBondContact O-N 3.29Å; E26-V39 HydrophobicContact CG-CB 3.99Å; E26-V39 HydrophobicContact CG-CG2 4.27Å; E26-F41 HydrophobicContact CB-CE2 3.67Å; E26-F41 HydrophobicContact CB-CZ 4.42Å; E26-F41 HydrophobicContact CG-CE2 4.41Å
27T82Confident79.7Confident110 Ų11061.4 Ų61.468%0.67534%0.344SS*.Hα-helixtrans-60-39.8179.4-43.30000112.4D25 S31D25-T27 PolarHBondContact O-N 3.2Å; T27-S31 WeakPolarHBondContact O-CB 3.5Å; T27-S31 PolarHBondContact O-N 3.22Å
28E81.3Confident79.5Confident64 Ų6462.9 Ų62.930%0.29935%0.354SS..Hα-helixtrans-69.8-46.1-179-164.9-179.4-176.300110.1D25 E26 Q30 S31 V32 I78 G79D25-E28 PolarHBondContact O-N 3.33Å; D25-E28 VanDerWaalsContact O-N 3.07Å; E26-E28 VanDerWaalsContact C-N 3.3Å; E26-E28 PolarHBondContact O-N 3.32Å; E28-Q30 VanDerWaalsContact C-N 3.35Å; E28-Q30 PolarHBondContact O-N 3.2Å; E28-S31 PolarHBondContact O-N 2.71Å; E28-S31 PolarHBondContact O-OG 2.57Å; E28-V32 WeakPolarHBondContact O-CG2 3.43Å; E28-V32 PolarHBondContact O-N 2.99Å; E28-I78 HydrophobicContact CG-CG2 3.94Å; E28-G79 VanDerWaalsContact OE1-CA 3.23Å; E28-G79 WeakPolarHBondContact OE1-CA 3.46Å; E28-G79 PolarHBondContact OE1-N 3.09Å
29V82.8Confident79.5Confident0 Ų060 Ų600%034%0.344CS..Hα-helixtrans-64.1-41.1177.3-178.50000111.3L20 D25 E26 S31 V32 F33 V39 F41 L57 I78L20-V29 HydrophobicContact CD2-CG2 4.11Å; D25-V29 PolarHBondContact O-N 3.39Å; E26-V29 PolarHBondContact O-N 3.42Å; V29-S31 VanDerWaalsContact C-N 3.33Å; V29-S31 PolarHBondContact O-N 2.66Å; V29-V32 PolarHBondContact O-N 2.94Å; V29-F33 HydrophobicContact CG1-CD2 4.07Å; V29-F33 WeakPolarHBondContact O-CD2 3.41Å; V29-F33 PolarHBondContact O-N 3.46Å; V29-V39 HydrophobicContact CB-CG1 4.14Å; V29-V39 HydrophobicContact CG1-CG1 3.9Å; V29-V39 HydrophobicContact CG1-CG2 4.45Å; V29-F41 HydrophobicContact CB-CZ 4.29Å; V29-F41 HydrophobicContact CG2-CE1 4.07Å; V29-F41 HydrophobicContact CG2-CZ 3.66Å; V29-L57 HydrophobicContact CG1-CD1 4.29Å; V29-L57 HydrophobicContact CG1-CD2 3.68Å; V29-L57 HydrophobicContact CG1-CG 4.45Å; V29-I78 HydrophobicContact CG2-CD1 4.22Å; V29-I78 HydrophobicContact CG2-CG2 4.5Å
30Q82.1Confident79.6Confident89 Ų8960.1 Ų60.142%0.41634%0.344SS..Hα-helixtrans-68.5-31.1177.5-167.8170.336.100112.3E26 E28 V32 F33 P34 V39E26-Q30 WeakPolarHBondContact O-CB 3.34Å; E26-Q30 PolarHBondContact O-N 3.29Å; E28-Q30 VanDerWaalsContact C-N 3.35Å; E28-Q30 PolarHBondContact O-N 3.2Å; Q30-V32 VanDerWaalsContact C-N 3.31Å; Q30-F33 CarbonylContact O-C 3.53Å; Q30-F33 VanDerWaalsContact O-C 3.22Å; Q30-P34 WeakPolarHBondContact O-CA 2.93Å; Q30-V39 HydrophobicContact CB-CG2 4.47Å
31S83Confident79.7Confident86 Ų8662.1 Ų62.160%0.60135%0.353SS*.Hα-helixtrans-67.1-34.2173.6770000112.4T27 E28 V29T27-S31 WeakPolarHBondContact O-CB 3.5Å; T27-S31 PolarHBondContact O-N 3.22Å; E28-S31 PolarHBondContact O-N 2.71Å; E28-S31 PolarHBondContact O-OG 2.57Å; V29-S31 VanDerWaalsContact C-N 3.33Å; V29-S31 PolarHBondContact O-N 2.66Å
32V82.6Confident79.7Confident31 Ų3163.3 Ų63.319%0.18836%0.359CS..Hα-helixtrans-82.1-32179176.70000111.6E28 V29 Q30 P34 K76 I78E28-V32 WeakPolarHBondContact O-CG2 3.43Å; E28-V32 PolarHBondContact O-N 2.99Å; V29-V32 PolarHBondContact O-N 2.94Å; Q30-V32 VanDerWaalsContact C-N 3.31Å; V32-P34 WeakPolarHBondContact O-CD 3.45Å; V32-K76 HydrophobicContact CG1-CD 3.59Å; V32-K76 PolarHBondContact O-NZ 2.73Å; V32-I78 HydrophobicContact CB-CD1 4.28Å; V32-I78 HydrophobicContact CG1-CD1 4.26Å; V32-I78 HydrophobicContact CG1-CG1 4.38Å; V32-I78 HydrophobicContact CG2-CD1 4.4Å; V32-I78 HydrophobicContact CG2-CG1 4.23Å
33F83.3Confident79.4Confident3 Ų364.6 Ų64.61%0.01335%0.345CS..  trans-122.874.2177.9-58.5-73.1000111.4V29 Q30 S35 A36 L57 A68 C72 K76 I78V29-F33 HydrophobicContact CG1-CD2 4.07Å; V29-F33 WeakPolarHBondContact O-CD2 3.41Å; V29-F33 PolarHBondContact O-N 3.46Å; Q30-F33 CarbonylContact O-C 3.53Å; Q30-F33 VanDerWaalsContact O-C 3.22Å; F33-S35 PolarHBondContact O-N 2.74Å; F33-S35 VanDerWaalsContact O-N 3.16Å; F33-A36 HydrophobicContact CB-CB 4.23Å; F33-A36 VanDerWaalsContact O-CB 3.32Å; F33-A36 WeakPolarHBondContact O-CB 3.39Å; F33-A36 PolarHBondContact O-N 2.58Å; F33-L57 HydrophobicContact CB-CD1 4.09Å; F33-L57 HydrophobicContact CD1-CD1 4.44Å; F33-L57 HydrophobicContact CD2-CD1 3.5Å; F33-L57 VanDerWaalsContact CD2-CD1 3.5Å; F33-L57 HydrophobicContact CE2-CD1 4.02Å; F33-L57 HydrophobicContact CG-CD1 3.75Å; F33-A68 HydrophobicContact CD1-CB 3.73Å; F33-A68 HydrophobicContact CE1-CB 4Å; F33-C72 WeakPolarHBondContact CZ-SG 3.28Å; F33-K76 HydrophobicContact CE1-CD 4.03Å; F33-K76 HydrophobicContact CZ-CD 3.96Å; F33-I78 HydrophobicContact CE2-CD1 3.95Å
34P82Confident78.5Confident103 Ų10362.8 Ų62.867%0.66933%0.332SS*.THydrogen-bonded Turntrans-64.3-21.518026.4-35.2000112.9Q30 V32 A36Q30-P34 WeakPolarHBondContact O-CA 2.93Å; V32-P34 WeakPolarHBondContact O-CD 3.45Å; P34-A36 PolarHBondContact O-N 2.86Å
35S82.4Confident77.6Confident55 Ų5571.3 Ų71.339%0.38537%0.371SS..THydrogen-bonded Turntrans-76.3-8.6177.3-47.70000113.6F33 R37 F59F33-S35 PolarHBondContact O-N 2.74Å; F33-S35 VanDerWaalsContact O-N 3.16Å; S35-R37 PolarHBondContact O-N 2.88Å; S35-F59 VanDerWaalsContact O-CD1 3.26Å; S35-F59 WeakPolarHBondContact O-CD1 3.39Å
36A83.1Confident76.5Confident8 Ų872.3 Ų72.37%0.06639%0.385CS..EExtended strand (participates in β ladder)trans-72.8124.3178.400000110.7F33 P34 L57 Q58 F59F33-A36 HydrophobicContact CB-CB 4.23Å; F33-A36 VanDerWaalsContact O-CB 3.32Å; F33-A36 WeakPolarHBondContact O-CB 3.39Å; F33-A36 PolarHBondContact O-N 2.58Å; P34-A36 PolarHBondContact O-N 2.86Å; A36-L57 HydrophobicContact CB-CB 4.41Å; A36-L57 HydrophobicContact CB-CD2 4.03Å; A36-Q58 CarbonylContact C-O 3.56Å; A36-F59 HydrophobicContact CB-CE1 4.1Å; A36-F59 HydrophobicContact CB-CZ 4.23Å
37R83.2Confident75.2Confident166 Ų16670.7 Ų70.763%0.62638%0.382SS*.EExtended strand (participates in β ladder)trans-68.8-39.7173.6-178.3-165.7172.383.44.6111.3S35 Q58 N60S35-R37 PolarHBondContact O-N 2.88Å; R37-Q58 WeakPolarHBondContact CA-O 3.13Å; R37-Q58 WeakPolarHBondContact CB-O 3.31Å; R37-Q58 PolarHBondContact N-O 2.84Å; R37-N60 WeakPolarHBondContact CD-OD1 3.42Å; R37-N60 PolarHBondContact NH1-OD1 3.04Å
38S82.4Confident73.8Confident31 Ų3169.4 Ų69.422%0.21738%0.377CS..EExtended strand (participates in β ladder)trans-151.2144.5-179.263.10000111.3Q58S38-Q58 PolarHBondContact N-O 2.82Å; S38-Q58 PolarHBondContact O-N 2.71Å; S38-Q58 VanDerWaalsContact OG-CB 3.28Å; S38-Q58 WeakPolarHBondContact OG-CB 3.26Å; S38-Q58 PolarHBondContact OG-OE1 2.84Å
39V83.8Confident72.5Confident8 Ų871 Ų715%0.04840%0.395CS..EExtended strand (participates in β ladder)trans-116.1110.6176.6-172.90000108.9E26 V29 Q30 F41 C55 L57E26-V39 HydrophobicContact CG-CB 3.99Å; E26-V39 HydrophobicContact CG-CG2 4.27Å; V29-V39 HydrophobicContact CB-CG1 4.14Å; V29-V39 HydrophobicContact CG1-CG1 3.9Å; V29-V39 HydrophobicContact CG1-CG2 4.45Å; Q30-V39 HydrophobicContact CB-CG2 4.47Å; V39-F41 HydrophobicContact CB-CE2 4.39Å; V39-F41 HydrophobicContact CG1-CD2 4.05Å; V39-F41 HydrophobicContact CG1-CE2 3.43Å; V39-F41 VanDerWaalsContact CG1-CE2 3.43Å; V39-F41 HydrophobicContact CG1-CZ 3.9Å; V39-C55 HydrophobicContact CG1-CB 4.21Å; V39-L57 HydrophobicContact CB-CD2 3.97Å; V39-L57 HydrophobicContact CG1-CD2 3.73Å; V39-L57 HydrophobicContact CG2-CD2 3.58Å
40N82.2Confident71Confident92 Ų9277.6 Ų77.649%0.49243%0.426SS..EExtended strand (participates in β ladder)trans-105.1105.1178.2-67.8-62.9000109.8V42 C55 I56N40-V42 PolarHBondContact O-N 2.91Å; N40-C55 CarbonylContact O-C 3.53Å; N40-C55 VanDerWaalsContact O-CA 3.31Å; N40-C55 WeakPolarHBondContact O-CA 3.12Å; N40-I56 HydrophobicContact CB-CB 4.46Å; N40-I56 PolarHBondContact N-O 3.47Å; N40-I56 PolarHBondContact O-N 3.34Å
41F79.3Confident69.6Low47 Ų4775 Ų7521%0.20642%0.418CS..EExtended strand (participates in β ladder)trans-74126173.1-69.9-95.1000110.3L20 A24 D25 E26 V29 V39 R43 C55L20-F41 HydrophobicContact CD1-CE1 4.22Å; A24-F41 HydrophobicContact CB-CE1 4.48Å; D25-F41 VanDerWaalsContact C-CZ 3.44Å; E26-F41 HydrophobicContact CB-CE2 3.67Å; E26-F41 HydrophobicContact CB-CZ 4.42Å; E26-F41 HydrophobicContact CG-CE2 4.41Å; V29-F41 HydrophobicContact CB-CZ 4.29Å; V29-F41 HydrophobicContact CG2-CE1 4.07Å; V29-F41 HydrophobicContact CG2-CZ 3.66Å; V39-F41 HydrophobicContact CB-CE2 4.39Å; V39-F41 HydrophobicContact CG1-CD2 4.05Å; V39-F41 HydrophobicContact CG1-CE2 3.43Å; V39-F41 VanDerWaalsContact CG1-CE2 3.43Å; V39-F41 HydrophobicContact CG1-CZ 3.9Å; F41-R43 HydrophobicContact CB-CG 3.98Å; F41-R43 PolarHBondContact O-N 3.05Å; F41-C55 HydrophobicContact CD1-CB 3.84Å; F41-C55 HydrophobicContact CE1-CB 4.01Å; F41-C55 HydrophobicContact CG-CB 4.16Å; F41-C55 HydrophobicContact CZ-CB 4.44Å
42V70.2Confident68.5Low39 Ų3979.8 Ų79.824%0.23642%0.423CS..  trans-82.377.8174.1-175.40000107.8N40 S44 M54 I56N40-V42 PolarHBondContact O-N 2.91Å; V42-S44 VanDerWaalsContact C-N 3.29Å; V42-S44 PolarHBondContact O-N 3.1Å; V42-M54 HydrophobicContact CB-CB 4.43Å; V42-M54 HydrophobicContact CB-CG 4.36Å; V42-M54 HydrophobicContact CB-SD 4.04Å; V42-M54 HydrophobicContact CG1-SD 4.42Å; V42-M54 HydrophobicContact CG2-CG 4.22Å; V42-M54 HydrophobicContact CG2-SD 3.8Å; V42-M54 PolarHBondContact N-O 3.08Å; V42-I56 HydrophobicContact CG2-CD1 3.78Å; V42-I56 HydrophobicContact CG2-CG1 4.06Å
43R62.5Low68Low153 Ų15379.1 Ų79.158%0.57742%0.422SS*.  trans-88.268.4174.4-64.8-178-178-180-1.9109.5D25 F41 H45D25-R43 IonicContact OD1-NH2 3.86Å; D25-R43 PolarHBondContact OD1-NH2 2.93Å; F41-R43 HydrophobicContact CB-CG 3.98Å; F41-R43 PolarHBondContact O-N 3.05Å; R43-H45 PolarHBondContact O-N 2.93Å; R43-H45 PolarHBondContact O-ND1 2.77Å
44S53.4Low67.9Low42 Ų4280.9 Ų80.929%0.29443%0.431SS..  trans-78.3115.8171.8176.40000109.5V42 S46 V47V42-S44 VanDerWaalsContact C-N 3.29Å; V42-S44 PolarHBondContact O-N 3.1Å; S44-S46 PolarHBondContact O-N 3.29Å; S44-V47 WeakPolarHBondContact OG-CG1 3.38Å; S44-V47 VanDerWaalsContact OG-CG2 3.29Å; S44-V47 WeakPolarHBondContact OG-CG2 3.45Å
45H53Low67.9Low183 Ų18376 Ų7685%0.84740%0.399SS*.THydrogen-bonded Turntrans-77.7-2.8-179.3-68.871.3000112.5R43R43-H45 PolarHBondContact O-N 2.93Å; R43-H45 PolarHBondContact O-ND1 2.77Å
46S51.6Low68.1Low111 Ų11173.7 Ų73.778%0.77638%0.383SS*.THydrogen-bonded Turntrans-122.75-174.573.70000115.2S44S44-S46 PolarHBondContact O-N 3.29Å
47V53.3Low68.2Low64 Ų6473.3 Ų73.339%0.38838%0.379SS..SBendtrans-119.6147.6-178-58.20000111S44 S51S44-V47 WeakPolarHBondContact OG-CG1 3.38Å; S44-V47 VanDerWaalsContact OG-CG2 3.29Å; S44-V47 WeakPolarHBondContact OG-CG2 3.45Å; V47-S51 WeakPolarHBondContact CG2-OG 3.48Å
48S53.1Low68.4Low82 Ų8269.1 Ų69.157%0.57337%0.367SS*.  trans-40.8155.9-17366.90000115.3Q50 S51S48-Q50 PolarHBondContact O-N 2.06Å; S48-S51 PolarHBondContact O-N 3.49Å
49S52.6Low68.5Low97 Ų9767.8 Ų67.868%0.67836%0.357SS*.G310 helixtrans-48-17.1179.6-51.30000115.5S51 R52S49-S51 VanDerWaalsContact C-N 3.33Å; S49-S51 PolarHBondContact O-N 3.02Å; S49-R52 PolarHBondContact O-N 3.33Å
50Q51.8Low68.5Low139 Ų13972.1 Ų72.165%0.6538%0.38SS*.G310 helixtrans-70.1-21.3176.6-166.4171.8-23.800114.2S48S48-Q50 PolarHBondContact O-N 2.06Å
51S53.9Low68.6Low36 Ų3672.1 Ų72.125%0.25238%0.38SS..G310 helixtrans-95.2-4.5175.9-50.70000113.6V47 S48 S49 G53V47-S51 WeakPolarHBondContact CG2-OG 3.48Å; S48-S51 PolarHBondContact O-N 3.49Å; S49-S51 VanDerWaalsContact C-N 3.33Å; S49-S51 PolarHBondContact O-N 3.02Å; S51-G53 PolarHBondContact O-N 2.96Å; S51-G53 VanDerWaalsContact O-N 3.07Å
52R58.7Low68.8Low186 Ų18671.4 Ų71.470%0.70238%0.383SS*.THydrogen-bonded Turntrans-77.494.8172.7-69.3-176.3173.7172-1.7107.8S49S49-R52 PolarHBondContact O-N 3.33Å
53G72.9Confident69.5Low17 Ų1779.5 Ų79.518%0.17541%0.409CS..THydrogen-bonded Turntrans125.427.1-178.300000114.8Y18 N19 L20 S51Y18-G53 CarbonylContact C-O 3.53Å; N19-G53 PolarHBondContact N-O 2.93Å; L20-G53 WeakPolarHBondContact CB-O 3.48Å; L20-G53 PolarHBondContact N-O 2.85Å; L20-G53 WeakPolarHBondContact O-CA 3.25Å; S51-G53 PolarHBondContact O-N 2.96Å; S51-G53 VanDerWaalsContact O-N 3.07Å
54M80.6Confident70.6Confident39 Ų3974.2 Ų74.219%0.19239%0.392CS..  trans-111.5138.5171.3175.5-165.3-91.400110.8V17 Y18 V42V17-M54 CarbonylContact O-C 3.58Å; V17-M54 VanDerWaalsContact O-CA 3.23Å; V17-M54 WeakPolarHBondContact O-CA 3.46Å; Y18-M54 HydrophobicContact CD1-CE 3.45Å; Y18-M54 VanDerWaalsContact CD1-CE 3.45Å; Y18-M54 HydrophobicContact CE1-CE 2.91Å; Y18-M54 HydrophobicContact CE2-CE 4.47Å; Y18-M54 HydrophobicContact CG-CE 4.44Å; V42-M54 HydrophobicContact CB-CB 4.43Å; V42-M54 HydrophobicContact CB-CG 4.36Å; V42-M54 HydrophobicContact CB-SD 4.04Å; V42-M54 HydrophobicContact CG1-SD 4.42Å; V42-M54 HydrophobicContact CG2-CG 4.22Å; V42-M54 HydrophobicContact CG2-SD 3.8Å; V42-M54 PolarHBondContact N-O 3.08Å
55C82.5Confident72.1Confident0 Ų072.2 Ų72.20%038%0.378CS..EExtended strand (participates in β ladder)trans-131159.2162.881.70000110.7V17 L20 V39 N40 F41V17-C55 PolarHBondContact N-O 2.72Å; V17-C55 PolarHBondContact O-N 2.89Å; V17-C55 VanDerWaalsContact O-O 3.12Å; L20-C55 HydrophobicContact CD1-CB 3.57Å; L20-C55 WeakPolarHBondContact CD1-SG 3.38Å; V39-C55 HydrophobicContact CG1-CB 4.21Å; N40-C55 CarbonylContact O-C 3.53Å; N40-C55 VanDerWaalsContact O-CA 3.31Å; N40-C55 WeakPolarHBondContact O-CA 3.12Å; F41-C55 HydrophobicContact CD1-CB 3.84Å; F41-C55 HydrophobicContact CE1-CB 4.01Å; F41-C55 HydrophobicContact CG-CB 4.16Å; F41-C55 HydrophobicContact CZ-CB 4.44Å
56I85.6Confident73.6Confident7 Ų768 Ų684%0.03636%0.359CS..EExtended strand (participates in β ladder)trans-118.5119.7176.9-60172.3000107.1L15 N40 V42 Y91L15-I56 WeakPolarHBondContact O-CA 3.36Å; N40-I56 HydrophobicContact CB-CB 4.46Å; N40-I56 PolarHBondContact N-O 3.47Å; N40-I56 PolarHBondContact O-N 3.34Å; V42-I56 HydrophobicContact CG2-CD1 3.78Å; V42-I56 HydrophobicContact CG2-CG1 4.06Å; I56-Y91 HydrophobicContact CD1-CD1 4.26Å; I56-Y91 HydrophobicContact CD1-CD2 3.76Å; I56-Y91 HydrophobicContact CD1-CE1 3.73Å; I56-Y91 HydrophobicContact CD1-CE2 3.16Å; I56-Y91 HydrophobicContact CD1-CG 4.26Å; I56-Y91 VanDerWaalsContact CD1-OH 3.32Å; I56-Y91 WeakPolarHBondContact CD1-OH 3.39Å
57L86.3Confident75.1Confident0 Ų067.5 Ų67.50%034%0.344CS..EExtended strand (participates in β ladder)trans-97.2128.1177.2-59.5177.3000109.2S14 L15 V17 V29 F33 A36 V39 F59S14-L57 CarbonylContact C-O 3.56Å; S14-L57 WeakPolarHBondContact CA-O 3.47Å; L15-L57 HydrophobicContact CB-CB 4.25Å; L15-L57 HydrophobicContact CD2-CD1 4.32Å; L15-L57 PolarHBondContact N-O 3.46Å; L15-L57 PolarHBondContact O-N 3.5Å; V17-L57 HydrophobicContact CG2-CD1 3.63Å; V17-L57 HydrophobicContact CG2-CG 4.08Å; V29-L57 HydrophobicContact CG1-CD1 4.29Å; V29-L57 HydrophobicContact CG1-CD2 3.68Å; V29-L57 HydrophobicContact CG1-CG 4.45Å; F33-L57 HydrophobicContact CB-CD1 4.09Å; F33-L57 HydrophobicContact CD1-CD1 4.44Å; F33-L57 HydrophobicContact CD2-CD1 3.5Å; F33-L57 VanDerWaalsContact CD2-CD1 3.5Å; F33-L57 HydrophobicContact CE2-CD1 4.02Å; F33-L57 HydrophobicContact CG-CD1 3.75Å; A36-L57 HydrophobicContact CB-CB 4.41Å; A36-L57 HydrophobicContact CB-CD2 4.03Å; V39-L57 HydrophobicContact CB-CD2 3.97Å; V39-L57 HydrophobicContact CG1-CD2 3.73Å; V39-L57 HydrophobicContact CG2-CD2 3.58Å; L57-F59 HydrophobicContact CB-CD2 4.41Å; L57-F59 HydrophobicContact CB-CE2 3.59Å; L57-F59 HydrophobicContact CB-CZ 4.03Å; L57-F59 HydrophobicContact CD1-CE2 4.41Å; L57-F59 HydrophobicContact CD1-CZ 4.17Å
58Q85.7Confident76.7Confident78 Ų7864.7 Ų64.736%0.36433%0.328SS..EExtended strand (participates in β ladder)trans-104.3133.3171.3-163175.711.900109.1T13 A36 R37 S38T13-Q58 WeakPolarHBondContact O-CA 3.33Å; A36-Q58 CarbonylContact C-O 3.56Å; R37-Q58 WeakPolarHBondContact CA-O 3.13Å; R37-Q58 WeakPolarHBondContact CB-O 3.31Å; R37-Q58 PolarHBondContact N-O 2.84Å; S38-Q58 PolarHBondContact N-O 2.82Å; S38-Q58 PolarHBondContact O-N 2.71Å; S38-Q58 VanDerWaalsContact OG-CB 3.28Å; S38-Q58 WeakPolarHBondContact OG-CB 3.26Å; S38-Q58 PolarHBondContact OG-OE1 2.84Å
59F85.3Confident78.2Confident4 Ų463.7 Ų63.72%0.01831%0.312CS..EExtended strand (participates in β ladder)trans-112.5151.5178.2-65.9-91.2000110.2T13 L15 S35 A36 L57 D64 C65 A68T13-F59 WeakPolarHBondContact CB-O 3.29Å; T13-F59 PolarHBondContact O-N 2.98Å; L15-F59 HydrophobicContact CB-CD2 4.3Å; L15-F59 HydrophobicContact CB-CE2 3.71Å; L15-F59 HydrophobicContact CD2-CE2 3.86Å; L15-F59 HydrophobicContact CD2-CZ 4.19Å; L15-F59 HydrophobicContact CG-CE2 4.45Å; S35-F59 VanDerWaalsContact O-CD1 3.26Å; S35-F59 WeakPolarHBondContact O-CD1 3.39Å; A36-F59 HydrophobicContact CB-CE1 4.1Å; A36-F59 HydrophobicContact CB-CZ 4.23Å; L57-F59 HydrophobicContact CB-CD2 4.41Å; L57-F59 HydrophobicContact CB-CE2 3.59Å; L57-F59 HydrophobicContact CB-CZ 4.03Å; L57-F59 HydrophobicContact CD1-CE2 4.41Å; L57-F59 HydrophobicContact CD1-CZ 4.17Å; F59-D64 HydrophobicContact CB-CB 4.39Å; F59-D64 HydrophobicContact CD1-CB 3.96Å; F59-C65 HydrophobicContact CB-CB 3.92Å; F59-C65 HydrophobicContact CD2-CB 3.71Å; F59-C65 HydrophobicContact CE2-CB 4.49Å; F59-C65 HydrophobicContact CG-CB 3.91Å; F59-A68 HydrophobicContact CE1-CB 3.72Å; F59-A68 HydrophobicContact CE2-CB 4.04Å; F59-A68 HydrophobicContact CZ-CB 3.31Å
60N83.9Confident79.7Confident99 Ų9962.3 Ų62.353%0.52930%0.297SS..SBendtrans-69.7-37.1174.9-72.1-35.6000111.3R37R37-N60 WeakPolarHBondContact CD-OD1 3.42Å; R37-N60 PolarHBondContact NH1-OD1 3.04Å
61N83.5Confident81.2Confident92 Ų9258.3 Ų58.349%0.49228%0.278SS..SBendtrans-120.7144.9-177.9-55.1-53.5000111.1R63 D64 C65N61-R63 PolarHBondContact O-N 3.15Å; N61-D64 WeakPolarHBondContact CB-OD2 3.45Å; N61-D64 PolarHBondContact ND2-OD2 2.89Å; N61-D64 PolarHBondContact O-N 3.45Å; N61-C65 PolarHBondContact O-N 3.28Å; N61-C65 VanDerWaalsContact O-N 3.14Å
62A83.4Confident82.5Confident31 Ų3156.8 Ų56.826%0.25627%0.268SS..Hα-helixtrans-61.6-29.417300000112.5Q11 V12 C65 Q66Q11-A62 HydrophobicContact CB-CB 4.47Å; V12-A62 WeakPolarHBondContact O-CA 3.08Å; A62-C65 WeakPolarHBondContact O-CB 3.24Å; A62-C65 PolarHBondContact O-N 2.75Å; A62-Q66 WeakPolarHBondContact O-CB 3.36Å; A62-Q66 PolarHBondContact O-N 3.31Å
63R84.8Confident83.4Confident209 Ų20952.4 Ų52.479%0.78926%0.258SS*.Hα-helixtrans-64.9-42.6176.4-164.3178.5-165-1743.2112.1N61 Q66 Q67N61-R63 PolarHBondContact O-N 3.15Å; R63-Q66 PolarHBondContact O-N 3.33Å; R63-Q67 WeakPolarHBondContact O-CB 3.48Å; R63-Q67 PolarHBondContact O-N 2.78Å
64D86.7Confident83.6Confident43 Ų4359.2 Ų59.223%0.2329%0.285CS..Hα-helixtrans-69.4-38.7178.7-57.4-28.2000110.4F59 N61 Q67 A68F59-D64 HydrophobicContact CB-CB 4.39Å; F59-D64 HydrophobicContact CD1-CB 3.96Å; N61-D64 WeakPolarHBondContact CB-OD2 3.45Å; N61-D64 PolarHBondContact ND2-OD2 2.89Å; N61-D64 PolarHBondContact O-N 3.45Å; D64-Q67 PolarHBondContact O-N 3.08Å; D64-A68 WeakPolarHBondContact O-CB 3.29Å; D64-A68 PolarHBondContact O-N 2.81Å
65C84.9Confident83.4Confident0 Ų059.1 Ų59.10%029%0.294CS..Hα-helixtrans-59.3-47.2173.1-172.70000111.8V12 F59 N61 A62 A68 Y69V12-C65 VanDerWaalsContact O-CB 3.25Å; V12-C65 WeakPolarHBondContact O-CB 3.49Å; V12-C65 PolarHBondContact O-SG 3.19Å; F59-C65 HydrophobicContact CB-CB 3.92Å; F59-C65 HydrophobicContact CD2-CB 3.71Å; F59-C65 HydrophobicContact CE2-CB 4.49Å; F59-C65 HydrophobicContact CG-CB 3.91Å; N61-C65 PolarHBondContact O-N 3.28Å; N61-C65 VanDerWaalsContact O-N 3.14Å; A62-C65 WeakPolarHBondContact O-CB 3.24Å; A62-C65 PolarHBondContact O-N 2.75Å; C65-A68 PolarHBondContact O-N 2.75Å; C65-Y69 PolarHBondContact O-N 2.77Å
66Q83.6Confident83Confident93 Ų9361.5 Ų61.544%0.43530%0.304SS..Hα-helixtrans-67.2-41179.6-170.7176-20.600111.9A62 R63 A68 Y69 D70A62-Q66 WeakPolarHBondContact O-CB 3.36Å; A62-Q66 PolarHBondContact O-N 3.31Å; R63-Q66 PolarHBondContact O-N 3.33Å; Q66-A68 VanDerWaalsContact C-N 3.34Å; Q66-A68 PolarHBondContact O-N 3.29Å; Q66-Y69 WeakPolarHBondContact O-CB 3.4Å; Q66-Y69 PolarHBondContact O-N 3.29Å; Q66-D70 PolarHBondContact O-N 3.36Å
67Q85Confident82.6Confident101 Ų10165.8 Ų65.847%0.47232%0.324SS..Hα-helixtrans-60.9-44.3173.9-177-178.2-21.100111.2R63 D64 Y69 D70 E71R63-Q67 WeakPolarHBondContact O-CB 3.48Å; R63-Q67 PolarHBondContact O-N 2.78Å; D64-Q67 PolarHBondContact O-N 3.08Å; Q67-Y69 VanDerWaalsContact C-N 3.31Å; Q67-Y69 PolarHBondContact O-N 2.9Å; Q67-D70 PolarHBondContact O-N 2.92Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.32Å; Q67-E71 PolarHBondContact NE2-OE1 2.85Å; Q67-E71 WeakPolarHBondContact O-CB 3.28Å; Q67-E71 WeakPolarHBondContact O-CG 3.48Å; Q67-E71 PolarHBondContact O-N 3.26Å
68A85.5Confident82.1Confident5 Ų565.8 Ų65.84%0.04132%0.324CS..Hα-helixtrans-61.8-38.817600000112.1L15 F33 F59 D64 C65 Q66 E71 C72L15-A68 HydrophobicContact CD2-CB 3.78Å; F33-A68 HydrophobicContact CD1-CB 3.73Å; F33-A68 HydrophobicContact CE1-CB 4Å; F59-A68 HydrophobicContact CE1-CB 3.72Å; F59-A68 HydrophobicContact CE2-CB 4.04Å; F59-A68 HydrophobicContact CZ-CB 3.31Å; D64-A68 WeakPolarHBondContact O-CB 3.29Å; D64-A68 PolarHBondContact O-N 2.81Å; C65-A68 PolarHBondContact O-N 2.75Å; Q66-A68 VanDerWaalsContact C-N 3.34Å; Q66-A68 PolarHBondContact O-N 3.29Å; A68-E71 PolarHBondContact O-N 3.5Å; A68-C72 PolarHBondContact O-N 3.03Å; A68-C72 PolarHBondContact O-SG 3.35Å
69Y85.5Confident81.3Confident61 Ų6164.1 Ų64.124%0.23933%0.328CS..Hα-helixtrans-61.9-47.7173.5176.5-102.9000112.2L15 C65 Q66 Q67 E71 C72 L73 A85 L87L15-Y69 HydrophobicContact CD1-CD2 3.78Å; L15-Y69 HydrophobicContact CD1-CG 4.2Å; C65-Y69 PolarHBondContact O-N 2.77Å; Q66-Y69 WeakPolarHBondContact O-CB 3.4Å; Q66-Y69 PolarHBondContact O-N 3.29Å; Q67-Y69 VanDerWaalsContact C-N 3.31Å; Q67-Y69 PolarHBondContact O-N 2.9Å; Y69-E71 VanDerWaalsContact C-N 3.31Å; Y69-E71 PolarHBondContact O-N 3.48Å; Y69-C72 WeakPolarHBondContact O-CB 3.37Å; Y69-C72 PolarHBondContact O-N 3.11Å; Y69-C72 VanDerWaalsContact O-N 3.12Å; Y69-L73 HydrophobicContact CD1-CD1 3.85Å; Y69-L73 HydrophobicContact CD1-CG 4.49Å; Y69-L73 HydrophobicContact CE1-CD1 3.28Å; Y69-L73 HydrophobicContact CE1-CG 4.13Å; Y69-L73 HydrophobicContact CE2-CD1 4.42Å; Y69-L73 HydrophobicContact CE2-CG 4.48Å; Y69-L73 PolarHBondContact O-N 3.37Å; Y69-A85 HydrophobicContact CD2-CB 4.14Å; Y69-A85 WeakPolarHBondContact CE2-O 3.42Å; Y69-L87 HydrophobicContact CD1-CD1 4.25Å; Y69-L87 HydrophobicContact CD1-CG 4.37Å; Y69-L87 HydrophobicContact CD2-CD2 4.46Å; Y69-L87 HydrophobicContact CD2-CG 3.94Å; Y69-L87 HydrophobicContact CE1-CD1 4.42Å; Y69-L87 HydrophobicContact CE2-CG 4.3Å; Y69-L87 HydrophobicContact CG-CD1 4.34Å; Y69-L87 HydrophobicContact CG-CD2 4.24Å; Y69-L87 HydrophobicContact CG-CG 3.97Å
70D84.3Confident80.8Confident68 Ų6866.8 Ų66.836%0.36436%0.356SS..Hα-helixtrans-62.4-38.9177.5-72.3-33000111.6Q66 Q67 C72 L73 Q74Q66-D70 PolarHBondContact O-N 3.36Å; Q67-D70 PolarHBondContact O-N 2.92Å; D70-C72 VanDerWaalsContact C-N 3.34Å; D70-L73 PolarHBondContact O-N 2.92Å; D70-Q74 VanDerWaalsContact O-CG 3.28Å; D70-Q74 WeakPolarHBondContact O-CG 3.48Å; D70-Q74 PolarHBondContact O-N 3.3Å; D70-Q74 PolarHBondContact O-NE2 3.42Å
71E83.1Confident80.3Confident55 Ų5565.7 Ų65.726%0.25735%0.348SS..Hα-helixtrans-65.8-35.1174.4-73.7177.6-159.900112.2Q67 A68 Y69 Q74 K76Q67-E71 WeakPolarHBondContact CG-OE1 3.32Å; Q67-E71 PolarHBondContact NE2-OE1 2.85Å; Q67-E71 WeakPolarHBondContact O-CB 3.28Å; Q67-E71 WeakPolarHBondContact O-CG 3.48Å; Q67-E71 PolarHBondContact O-N 3.26Å; A68-E71 PolarHBondContact O-N 3.5Å; Y69-E71 VanDerWaalsContact C-N 3.31Å; Y69-E71 PolarHBondContact O-N 3.48Å; E71-Q74 PolarHBondContact O-N 2.74Å; E71-K76 HydrophobicContact CB-CD 3.97Å; E71-K76 WeakPolarHBondContact O-CG 3.21Å; E71-K76 VanDerWaalsContact OE2-CE 3.3Å; E71-K76 WeakPolarHBondContact OE2-CE 3.48Å; E71-K76 IonicContact OE2-NZ 2.6Å; E71-K76 PolarHBondContact OE2-NZ 2.8Å
72C81.6Confident80.1Confident4 Ų464.6 Ų64.63%0.02734%0.342CS..Hα-helixtrans-65.4-44.6172.2-65.30000111.7F33 A68 Y69 D70 Q74 G75 A85F33-C72 WeakPolarHBondContact CZ-SG 3.28Å; A68-C72 PolarHBondContact O-N 3.03Å; A68-C72 PolarHBondContact O-SG 3.35Å; Y69-C72 WeakPolarHBondContact O-CB 3.37Å; Y69-C72 PolarHBondContact O-N 3.11Å; Y69-C72 VanDerWaalsContact O-N 3.12Å; D70-C72 VanDerWaalsContact C-N 3.34Å; C72-Q74 PolarHBondContact O-N 2.86Å; C72-G75 PolarHBondContact O-N 2.79Å; C72-A85 HydrophobicContact CB-CB 3.38Å; C72-A85 WeakPolarHBondContact SG-CB 3.46Å
73L77Confident80.1Confident95 Ų9563.6 Ų63.650%0.49733%0.332SS..Hα-helixtrans-63.7-28.9178.6-74.2177.3000113.2Y69 D70 G75Y69-L73 HydrophobicContact CD1-CD1 3.85Å; Y69-L73 HydrophobicContact CD1-CG 4.49Å; Y69-L73 HydrophobicContact CE1-CD1 3.28Å; Y69-L73 HydrophobicContact CE1-CG 4.13Å; Y69-L73 HydrophobicContact CE2-CD1 4.42Å; Y69-L73 HydrophobicContact CE2-CG 4.48Å; Y69-L73 PolarHBondContact O-N 3.37Å; D70-L73 PolarHBondContact O-N 2.92Å; L73-G75 PolarHBondContact O-N 2.91Å
74Q75.9Confident79.9Confident159 Ų15958.6 Ų58.674%0.74332%0.318SS*.THydrogen-bonded Turntrans-70.3-3.4174.4-73.4170.442.700113.6D70 E71 C72D70-Q74 VanDerWaalsContact O-CG 3.28Å; D70-Q74 WeakPolarHBondContact O-CG 3.48Å; D70-Q74 PolarHBondContact O-N 3.3Å; D70-Q74 PolarHBondContact O-NE2 3.42Å; E71-Q74 PolarHBondContact O-N 2.74Å; C72-Q74 PolarHBondContact O-N 2.86Å
75G77.2Confident79.8Confident37 Ų3756.6 Ų56.638%0.38131%0.307SS..THydrogen-bonded Turntrans95.144.9175.300000113.3C72 L73C72-G75 PolarHBondContact O-N 2.79Å; L73-G75 PolarHBondContact O-N 2.91Å
76K73.5Confident79.7Confident50 Ų5061.2 Ų61.222%0.21733%0.329CS..  trans-63.6139.6170.4-90.9-173.5168.4-175.10110.9V32 F33 E71 V83V32-K76 HydrophobicContact CG1-CD 3.59Å; V32-K76 PolarHBondContact O-NZ 2.73Å; F33-K76 HydrophobicContact CE1-CD 4.03Å; F33-K76 HydrophobicContact CZ-CD 3.96Å; E71-K76 HydrophobicContact CB-CD 3.97Å; E71-K76 WeakPolarHBondContact O-CG 3.21Å; E71-K76 VanDerWaalsContact OE2-CE 3.3Å; E71-K76 WeakPolarHBondContact OE2-CE 3.48Å; E71-K76 IonicContact OE2-NZ 2.6Å; E71-K76 PolarHBondContact OE2-NZ 2.8Å; K76-V83 HydrophobicContact CB-CG2 4.04Å; K76-V83 WeakPolarHBondContact O-CG2 3.49Å; K76-V83 PolarHBondContact O-N 2.79Å
77E77.7Confident79.6Confident97 Ų9760 Ų6045%0.45333%0.325SS..EExtended strand (participates in β ladder)trans-113.5132.2176.9-66.2-177.8149.100109.5Q81 L82 R155E77-Q81 CarbonylContact C-O 3.16Å; E77-Q81 VanDerWaalsContact CA-O 3.24Å; E77-Q81 WeakPolarHBondContact CA-O 3.13Å; E77-L82 HydrophobicContact CG-CD2 3.57Å; E77-L82 HydrophobicContact CG-CG 4.07Å; E77-R155 IonicContact OE1-CZ 3.82Å; E77-R155 IonicContact OE1-NH2 2.72Å; E77-R155 PolarHBondContact OE1-NH2 2.75Å
78I75.3Confident79.1Confident1 Ų157.3 Ų57.31%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-119.1123.8171.8-59.1-168.6000106.7L20 P21 A24 E28 V29 V32 F33 G80 Q81 V83L20-I78 HydrophobicContact CD2-CB 4.09Å; L20-I78 HydrophobicContact CD2-CD1 3.76Å; L20-I78 HydrophobicContact CD2-CG1 4.4Å; L20-I78 HydrophobicContact CD2-CG2 4.03Å; P21-I78 WeakPolarHBondContact CD-O 3.12Å; P21-I78 WeakPolarHBondContact CG-O 3.48Å; A24-I78 HydrophobicContact CB-CG2 4.37Å; E28-I78 HydrophobicContact CG-CG2 3.94Å; V29-I78 HydrophobicContact CG2-CD1 4.22Å; V29-I78 HydrophobicContact CG2-CG2 4.5Å; V32-I78 HydrophobicContact CB-CD1 4.28Å; V32-I78 HydrophobicContact CG1-CD1 4.26Å; V32-I78 HydrophobicContact CG1-CG1 4.38Å; V32-I78 HydrophobicContact CG2-CD1 4.4Å; V32-I78 HydrophobicContact CG2-CG1 4.23Å; F33-I78 HydrophobicContact CE2-CD1 3.95Å; I78-G80 PolarHBondContact O-N 2.78Å; I78-G80 VanDerWaalsContact O-N 3.11Å; I78-Q81 PolarHBondContact N-O 2.81Å; I78-Q81 PolarHBondContact O-N 2.74Å; I78-V83 HydrophobicContact CB-CG1 3.74Å; I78-V83 HydrophobicContact CD1-CG1 3.88Å; I78-V83 HydrophobicContact CG1-CG1 3.6Å; I78-V83 HydrophobicContact CG1-CG2 4.44Å
79G69.3Low77.8Confident43 Ų4359.5 Ų59.544%0.44334%0.337SS..THydrogen-bonded Turntrans53.329-173.900000114.9E28 Q81E28-G79 VanDerWaalsContact OE1-CA 3.23Å; E28-G79 WeakPolarHBondContact OE1-CA 3.46Å; E28-G79 PolarHBondContact OE1-N 3.09Å; G79-Q81 VanDerWaalsContact C-N 3.34Å
80G75.2Confident76.3Confident59 Ų5963.3 Ų63.361%0.60836%0.361SS*.THydrogen-bonded Turntrans79.48.7-17800000115.4I78I78-G80 PolarHBondContact O-N 2.78Å; I78-G80 VanDerWaalsContact O-N 3.11Å
81Q73.3Confident74.3Confident76 Ų7665.9 Ų65.936%0.35537%0.367SS..EExtended strand (participates in β ladder)trans-106.2134.7170.6-63.4-168.2-40.200110.2N19 P21 E77 I78 G79 V83N19-Q81 PolarHBondContact O-OE1 3.36Å; P21-Q81 HydrophobicContact CB-CG 4.37Å; E77-Q81 CarbonylContact C-O 3.16Å; E77-Q81 VanDerWaalsContact CA-O 3.24Å; E77-Q81 WeakPolarHBondContact CA-O 3.13Å; I78-Q81 PolarHBondContact N-O 2.81Å; I78-Q81 PolarHBondContact O-N 2.74Å; G79-Q81 VanDerWaalsContact C-N 3.34Å; Q81-V83 PolarHBondContact O-N 2.79Å
82L80Confident72.2Confident70 Ų7074 Ų7437%0.36640%0.395SS..EExtended strand (participates in β ladder)trans-65.9120.9173-75.5167.5000109.1N19 E77N19-L82 PolarHBondContact ND2-O 3.37Å; E77-L82 HydrophobicContact CG-CD2 3.57Å; E77-L82 HydrophobicContact CG-CG 4.07Å
83V82.2Confident70.1Confident9 Ų978 Ų786%0.05542%0.423CS..  trans-84.4142.3177.9-63.20000110.4V17 L20 K76 I78 Q81V17-V83 HydrophobicContact CG1-CB 3.79Å; V17-V83 HydrophobicContact CG1-CG1 4.17Å; V17-V83 HydrophobicContact CG1-CG2 4.28Å; L20-V83 HydrophobicContact CD2-CG1 3.74Å; K76-V83 HydrophobicContact CB-CG2 4.04Å; K76-V83 WeakPolarHBondContact O-CG2 3.49Å; K76-V83 PolarHBondContact O-N 2.79Å; I78-V83 HydrophobicContact CB-CG1 3.74Å; I78-V83 HydrophobicContact CD1-CG1 3.88Å; I78-V83 HydrophobicContact CG1-CG1 3.6Å; I78-V83 HydrophobicContact CG1-CG2 4.44Å; Q81-V83 PolarHBondContact O-N 2.79Å
84H81.1Confident68.2Low105 Ų10579.3 Ų79.349%0.48644%0.44SS..EExtended strand (participates in β ladder)trans-106136.8170-175.770.3000108.1V17 Y18V17-H84 CarbonylContact C-O 3.22Å; V17-H84 WeakPolarHBondContact CA-O 3.09Å; Y18-H84 PolarHBondContact N-O 2.94Å; Y18-H84 PolarHBondContact O-N 3.19Å; Y18-H84 VanDerWaalsContact O-N 3.08Å
85A85.2Confident66.2Low1 Ų175.6 Ų75.61%0.00843%0.432CS..EExtended strand (participates in β ladder)trans-123.1149.8176.900000110.8L15 A16 V17 Y69 C72L15-A85 HydrophobicContact CD1-CB 3.92Å; L15-A85 HydrophobicContact CD2-CB 4.31Å; L15-A85 HydrophobicContact CG-CB 4.13Å; A16-A85 CarbonylContact O-C 3.54Å; A16-A85 VanDerWaalsContact O-CA 3.24Å; A16-A85 WeakPolarHBondContact O-CA 3.22Å; V17-A85 HydrophobicContact CG2-CB 4.35Å; Y69-A85 HydrophobicContact CD2-CB 4.14Å; Y69-A85 WeakPolarHBondContact CE2-O 3.42Å; C72-A85 HydrophobicContact CB-CB 3.38Å; C72-A85 WeakPolarHBondContact SG-CB 3.46Å
86E83.1Confident64.4Low97 Ų9777.9 Ų77.945%0.45344%0.442SS..EExtended strand (participates in β ladder)trans-138.2131.4179.5-165.7178.1-172.700108.9A16 Y18 N88A16-E86 PolarHBondContact N-O 3.36Å; A16-E86 PolarHBondContact O-N 2.72Å; Y18-E86 HydrophobicContact CE2-CB 3.67Å; Y18-E86 WeakPolarHBondContact CE2-OE2 3.38Å; Y18-E86 PolarHBondContact OH-OE2 3.17Å; E86-N88 PolarHBondContact O-N 2.98Å
87L80.3Confident62.7Low67 Ų6784.4 Ų84.435%0.35147%0.473SS..EExtended strand (participates in β ladder)trans-69.2113.9174.5-69.6168.9000108.6V12 L15 Y69V12-L87 HydrophobicContact CB-CD2 4.49Å; V12-L87 HydrophobicContact CG1-CB 4.32Å; L15-L87 HydrophobicContact CD1-CD2 4.01Å; Y69-L87 HydrophobicContact CD1-CD1 4.25Å; Y69-L87 HydrophobicContact CD1-CG 4.37Å; Y69-L87 HydrophobicContact CD2-CD2 4.46Å; Y69-L87 HydrophobicContact CD2-CG 3.94Å; Y69-L87 HydrophobicContact CE1-CD1 4.42Å; Y69-L87 HydrophobicContact CE2-CG 4.3Å; Y69-L87 HydrophobicContact CG-CD1 4.34Å; Y69-L87 HydrophobicContact CG-CD2 4.24Å; Y69-L87 HydrophobicContact CG-CG 3.97Å
88N74.2Confident60.6Low44 Ų4486.1 Ų86.124%0.23549%0.486CS..  trans-98.6100.4-176.4-165.6-7.3000109.9V12 S14 A16 E86 D90 Y91V12-N88 WeakPolarHBondContact CG1-O 3.06Å; S14-N88 WeakPolarHBondContact CB-O 3.35Å; S14-N88 PolarHBondContact O-N 3.13Å; A16-N88 HydrophobicContact CB-CB 4.23Å; E86-N88 PolarHBondContact O-N 2.98Å; N88-D90 VanDerWaalsContact C-N 3.28Å; N88-D90 PolarHBondContact O-N 3Å; N88-Y91 WeakPolarHBondContact ND2-CD2 3.23Å
89G59.7Low58.8Low51 Ų5193.9 Ų93.953%0.52653%0.526SS..SBendtrans-68.3-17.8-174.900000115.4
90D53.1Low57.1Low141 Ų14197.1 Ų97.175%0.75453%0.533SS*.  trans-148.773.2-169.6-70.9-71.4000112.2N88 R92N88-D90 VanDerWaalsContact C-N 3.28Å; N88-D90 PolarHBondContact O-N 3Å; D90-R92 VanDerWaalsContact C-N 3.34Å; D90-R92 PolarHBondContact O-N 2.94Å
91Y42.5Very low55.1Low122 Ų122100.1 Ų100.148%0.47854%0.54SS..  trans-8880.5158.8-130.8-105.2000109.5I56 N88 S93I56-Y91 HydrophobicContact CD1-CD1 4.26Å; I56-Y91 HydrophobicContact CD1-CD2 3.76Å; I56-Y91 HydrophobicContact CD1-CE1 3.73Å; I56-Y91 HydrophobicContact CD1-CE2 3.16Å; I56-Y91 HydrophobicContact CD1-CG 4.26Å; I56-Y91 VanDerWaalsContact CD1-OH 3.32Å; I56-Y91 WeakPolarHBondContact CD1-OH 3.39Å; N88-Y91 WeakPolarHBondContact ND2-CD2 3.23Å; Y91-S93 VanDerWaalsContact C-N 3.3Å; Y91-S93 PolarHBondContact O-N 2.91Å
92R38.8Very low53.4Low226 Ų226100.3 Ų100.385%0.85355%0.549SS*.  trans-58.7108.1150.3-79.9-169.4174.5-155.8-1.3105.2D90 S94D90-R92 VanDerWaalsContact C-N 3.34Å; D90-R92 PolarHBondContact O-N 2.94Å; R92-S94 VanDerWaalsContact C-N 3.31Å; R92-S94 PolarHBondContact O-N 3.36Å
93S38Very low51.2Low89 Ų89104.3 Ų104.362%0.62257%0.566SS**  trans-44103.9165.5-64.70000106.7Y91 S95Y91-S93 VanDerWaalsContact C-N 3.3Å; Y91-S93 PolarHBondContact O-N 2.91Å; S93-S95 PolarHBondContact O-N 2.74Å; S93-S95 PolarHBondContact O-OG 2.92Å
94S36.6Very low49.1Very low122 Ų122112.3 Ų112.385%0.85360%0.603SS**  trans-73.156.8157.7-73.60000106.6R92 S96R92-S94 VanDerWaalsContact C-N 3.31Å; R92-S94 PolarHBondContact O-N 3.36Å; S94-S96 PolarHBondContact O-N 3.38Å
95S34.8Very low46.9Very low80 Ų80115.7 Ų115.756%0.55962%0.618SS**  trans-65.6116161.4470000105.5S93S93-S95 PolarHBondContact O-N 2.74Å; S93-S95 PolarHBondContact O-OG 2.92Å
96S38.3Very low44.5Very low86 Ų86118.9 Ų118.960%0.60165%0.651SS**SBendtrans55.4113.6165.556.90000115.1S94 N98S94-S96 PolarHBondContact O-N 3.38Å; S96-N98 VanDerWaalsContact C-N 3.28Å; S96-N98 PolarHBondContact O-N 3.15Å; S96-N98 PolarHBondContact O-ND2 3.26Å
97E37.8Very low42.5Very low187 Ų187120.2 Ų120.287%0.87467%0.665SS**  trans-31.797.1145.8-62.6178.7112.500110.1L99E97-L99 PolarHBondContact O-N 3.46Å
98N34.4Very low40.4Very low133 Ų133124 Ų12471%0.71169%0.686SS**  trans-7684166.7-91-85.5000105.4S96 N100S96-N98 VanDerWaalsContact C-N 3.28Å; S96-N98 PolarHBondContact O-N 3.15Å; S96-N98 PolarHBondContact O-ND2 3.26Å; N98-N100 PolarHBondContact O-N 2.81Å
99L37.9Very low38.9Very low163 Ų163126.5 Ų126.585%0.85371%0.707SS**  trans-47.385.5141-80.1145.9000107.9E97E97-L99 PolarHBondContact O-N 3.46Å
100N33.6Very low38.2Very low111 Ų111134.4 Ų134.459%0.59472%0.721SS**  trans-126.285.2163.3-161.6-12.1000109N98 S102N98-N100 PolarHBondContact O-N 2.81Å; N100-S102 PolarHBondContact O-N 2.78Å; N100-S102 PolarHBondContact OD1-OG 3.1Å
101V32.6Very low37.8Very low123 Ų123133 Ų13375%0.74571%0.714SS**  trans-46.892.3146.4174.60000107.9
102S38.1Very low38.2Very low79 Ų79134.8 Ų134.855%0.55272%0.724SS**  trans-12393.7166.8-90.80000109.8N100 H104N100-S102 PolarHBondContact O-N 2.78Å; N100-S102 PolarHBondContact OD1-OG 3.1Å; S102-H104 PolarHBondContact O-N 3.3Å
103Q33.9Very low38.7Very low154 Ų154134.2 Ų134.272%0.7272%0.722SS**  trans-24.7116.2148.9-61.2168.234.800111.8
104H38Very low38.9Very low178 Ų178141.8 Ų141.882%0.82474%0.737SS**  trans-133.4118.7151.5-86.4-77000109.8S102S102-H104 PolarHBondContact O-N 3.3Å
105H33.4Very low39.3Very low176 Ų176141 Ų14182%0.81573%0.732SS**  trans-53.8146.2-179.6-65.1-85.5000113.9
106G36.2Very low39.8Very low68 Ų68146.4 Ų146.470%0.70175%0.748SS**  trans177.747.8171.500000116.5
107V39.5Very low40Very low124 Ų124146.7 Ų146.775%0.75276%0.755SS**  trans17.6129.4145.2-90.60000120.9
108N36.9Very low40.4Very low148 Ų148145.2 Ų145.279%0.79175%0.753SS**  trans83.3130152.7-46.5-28.5000115.1
109S42.2Very low41.1Very low95 Ų95147 Ų14766%0.66476%0.763SS**  cis-162.2133.817.4-98.10000105.8
110R45.9Very low41.1Very low218 Ų218147.5 Ų147.582%0.82376%0.76SS**  47.3122.6100.7-75.6-176.2-164.3153.13.6112.3
111D45.3Very low41.4Very low112 Ų112152.6 Ų152.660%0.59977%0.773SS**  cis-175.1148.715-80.6-57.9000102.2
112F49.6Very low42Very low158 Ų158152 Ų15269%0.69378%0.775SS**  166.9125.982.9-86.1-70.3000109.2
113R49.2Very low42.2Very low215 Ų215156 Ų15681%0.81179%0.785SS**  trans64.7101140.3-59.3-180-171.4174.44.5118.7
114R42.6Very low43Very low247 Ų247154.6 Ų154.693%0.93279%0.788SS**  62.4111.194.2-91.4-172.8174.9-164.9-1.6115
115S45.2Very low43.2Very low107 Ų107152 Ų15275%0.74879%0.785SS**  -175.7127.1106.755.90000113.1
116H44.8Very low43.7Very low193 Ų193153.3 Ų153.389%0.89479%0.785SS**  trans7181.5157.4-73.3-73.4000119.6
117A43.8Very low44.2Very low91 Ų91156.3 Ų156.375%0.75278%0.784SS**  trans-137.692.3154.700000107.8
118D46.3Very low44.6Very low157 Ų157154.9 Ų154.984%0.8478%0.778SS**  trans-157.982.4168.3-74.6-51.6000108.1
119N48.1Very low45Very low171 Ų171154 Ų15491%0.91477%0.769SS**  trans-154.992.9145.3-122.3-49.3000108.8Y121N119-Y121 PolarHBondContact O-N 3.14Å
120E38Very low44.7Very low172 Ų172153.3 Ų153.380%0.80478%0.776SS**  trans-78.3101.5-176.9-173.6174.9113.800109.1
121Y40.6Very low44.7Very low218 Ų218150.6 Ų150.686%0.85577%0.766SS**  trans-139.775.6153.8-120.8-87.3000106.2N119 Q123N119-Y121 PolarHBondContact O-N 3.14Å; Y121-Q123 VanDerWaalsContact C-N 3.26Å; Y121-Q123 PolarHBondContact O-N 3.4Å
122S44.1Very low44.5Very low112 Ų112149.4 Ų149.478%0.78376%0.763SS**  trans-66.688.5171.5-61.30000108.3P124S122-P124 WeakPolarHBondContact O-CD 3.5Å
123Q42.6Very low44.1Very low163 Ų163150.2 Ų150.276%0.76277%0.769SS**  trans-66.6124160.3-73.5-170.8-6.300107.3Y121 T125Y121-Q123 VanDerWaalsContact C-N 3.26Å; Y121-Q123 PolarHBondContact O-N 3.4Å; Q123-T125 PolarHBondContact O-N 3.47Å
124P50.1Low44Very low123 Ų123144 Ų14480%0.79976%0.758SS**  trans-62.9113.416725.5-29.1000106.9S122 Y126S122-P124 WeakPolarHBondContact O-CD 3.5Å; P124-Y126 VanDerWaalsContact C-N 3.32Å; P124-Y126 PolarHBondContact O-N 3.5Å
125T42.8Very low44Very low124 Ų124141.7 Ų141.776%0.76176%0.758SS**  trans-60.2100.5165.134.90000107.1Q123 D127Q123-T125 PolarHBondContact O-N 3.47Å; T125-D127 PolarHBondContact O-N 3.4Å; T125-D127 VanDerWaalsContact O-N 3.08Å
126Y43.5Very low43.7Very low204 Ų204139.2 Ų139.280%0.875%0.749SS**  trans-67.899.2168.2-171.7-91.4000106.9P124 P128P124-Y126 VanDerWaalsContact C-N 3.32Å; P124-Y126 PolarHBondContact O-N 3.5Å; Y126-P128 HydrophobicContact CD1-CB 4.19Å; Y126-P128 HydrophobicContact CE1-CB 4.31Å; Y126-P128 WeakPolarHBondContact O-CD 3.5Å
127D47.5Very low43.9Very low130 Ų130133.9 Ų133.970%0.69573%0.733SS**  trans-61.8108.1165.9-76.6-68.5000108.5T125 H129T125-D127 PolarHBondContact O-N 3.4Å; T125-D127 VanDerWaalsContact O-N 3.08Å; D127-H129 PolarHBondContact O-N 2.92Å
128P48.5Very low44.5Very low94 Ų94134.8 Ų134.861%0.6174%0.741SS**  trans-84.228.8-17827.3-15.2000111.8Y126Y126-P128 HydrophobicContact CD1-CB 4.19Å; Y126-P128 HydrophobicContact CE1-CB 4.31Å; Y126-P128 WeakPolarHBondContact O-CD 3.5Å
129H44Very low45.5Very low131 Ų131132.6 Ų132.661%0.60673%0.729SS**  trans-120.146.4-176.3-62.1-53.8000112D127 R131D127-H129 PolarHBondContact O-N 2.92Å; H129-R131 PolarHBondContact O-N 2.98Å
130G35.9Very low46.8Very low79 Ų79126.2 Ų126.281%0.81470%0.7SS**  trans-72.853.2155.500000110.9
131R46.1Very low49Very low161 Ų161118.7 Ų118.761%0.60867%0.667SS**  trans-78.1122160.7-77.9-173.3172.8-175.1-1.6104.8H129 E133H129-R131 PolarHBondContact O-N 2.98Å; R131-E133 PolarHBondContact O-N 3.38Å
132T41Very low51.4Low87 Ų87109.9 Ų109.953%0.53464%0.635SS.*  trans-5790167.4-15.90000106.1S134T132-S134 PolarHBondContact O-N 2.81Å
133E42.6Very low53.6Low176 Ų176104.5 Ų104.582%0.82260%0.598SS**  trans-67.282.3164.6-67.4178.9138.100104.2R131 E135R131-E133 PolarHBondContact O-N 3.38Å; E133-E135 PolarHBondContact O-N 3.2Å
134S46.5Very low55.9Low84 Ų8498.1 Ų98.159%0.58757%0.57SS**  trans-6291.2159.1-78.80000105.9T132 G136T132-S134 PolarHBondContact O-N 2.81Å; S134-G136 PolarHBondContact O-N 2.76Å
135E41.7Very low57.9Low199 Ų19992.2 Ų92.293%0.9353%0.532SS*.  trans-43.3103.7150.2-64-173.99200107.5E133E133-E135 PolarHBondContact O-N 3.2Å
136G40.4Very low60.1Low54 Ų5487.8 Ų87.856%0.55751%0.506SS*.  trans176.473.7-172.300000116S134S134-G136 PolarHBondContact O-N 2.76Å
137S47.1Very low62.3Low81 Ų8180.3 Ų80.357%0.56648%0.48SS*.  trans82.3112164.6-159.50000115.4N139 A140S137-N139 PolarHBondContact O-N 2.96Å; S137-A140 WeakPolarHBondContact O-CB 3.23Å; S137-A140 PolarHBondContact O-N 3.36Å
138A57.2Low64.2Low111 Ų11174.1 Ų74.192%0.91745%0.446SS*.THydrogen-bonded Turntrans-55.70.8171.100000115
139N67.3Low66Low111 Ų11170.4 Ų70.459%0.59442%0.423SS*.THydrogen-bonded Turntrans-115.9-5.5178.5-59-43.1000113.7S137 S186 S188S137-N139 PolarHBondContact O-N 2.96Å; N139-S186 CarbonylContact C-O 3.58Å; N139-S188 PolarHBondContact O-N 3.27Å
140A76.3Confident68Low37 Ų3771.5 Ų71.531%0.30642%0.423SS..  trans-67.2136.2178.400000110S137 F185S137-A140 WeakPolarHBondContact O-CB 3.23Å; S137-A140 PolarHBondContact O-N 3.36Å; A140-F185 WeakPolarHBondContact CA-O 3.21Å
141C84.4Confident70.4Confident14 Ų1474 Ų7410%0.09542%0.422CS..EExtended strand (participates in β ladder)trans-125.1129.3-179.1177.30000110.1F185 C191C141-F185 PolarHBondContact N-O 2.78Å; C141-F185 VanDerWaalsContact N-O 3.08Å; C141-F185 PolarHBondContact O-N 3.33Å; C141-C191 HydrophobicContact CB-CB 3.41Å; C141-C191 VanDerWaalsContact CB-CB 3.41Å; C141-C191 WeakPolarHBondContact CB-SG 3.24Å; C141-C191 WeakPolarHBondContact SG-CB 3.5Å; C141-C191 CovalentContact SG-SG 2.06Å; C141-C191 PolarHBondContact SG-SG 3.27Å
142T89.7Confident72.1Confident32 Ų3266.7 Ų66.720%0.19640%0.396CS..EExtended strand (participates in β ladder)trans-100125176.8-55.10000110.6H182 V183 Q213T142-H182 HydrophobicContact CG2-CB 4.12Å; T142-V183 CarbonylContact C-O 3.42Å; T142-V183 WeakPolarHBondContact CA-O 3.22Å; T142-Q213 HydrophobicContact CG2-CB 4.41Å; T142-Q213 WeakPolarHBondContact O-CA 3.42Å; T142-Q213 WeakPolarHBondContact O-CB 3.23Å; T142-Q213 PolarHBondContact O-N 2.76Å
143L90.6Very high74.3Confident0 Ų064.7 Ų64.70%039%0.386CS..EExtended strand (participates in β ladder)trans-99.7118.4172.5-175.469.7000109.4V145 V183 F185 A194 L195 I212L143-V145 HydrophobicContact CD2-CG2 4.03Å; L143-V145 HydrophobicContact CG-CG2 4.1Å; L143-V183 HydrophobicContact CB-CB 4.46Å; L143-V183 PolarHBondContact N-O 2.81Å; L143-V183 PolarHBondContact O-N 2.72Å; L143-F185 HydrophobicContact CB-CD2 4.16Å; L143-F185 HydrophobicContact CB-CE2 3.71Å; L143-F185 HydrophobicContact CD2-CE2 3.91Å; L143-F185 HydrophobicContact CD2-CZ 4.45Å; L143-F185 HydrophobicContact CG-CE2 4.48Å; L143-A194 HydrophobicContact CD2-CB 3.78Å; L143-L195 HydrophobicContact CD1-CB 3.9Å; L143-L195 HydrophobicContact CD1-CD1 3.83Å; L143-L195 HydrophobicContact CD1-CG 4.46Å; L143-I212 HydrophobicContact CD1-CG1 4.06Å
144T91.6Very high76.4Confident28 Ų2860.6 Ų60.617%0.17237%0.367CS..EExtended strand (participates in β ladder)trans-84.4115168.7-56.30000109.3V180 A181 H182 G210 R211T144-V180 HydrophobicContact CG2-CG1 3.81Å; T144-A181 CarbonylContact C-O 3.45Å; T144-A181 WeakPolarHBondContact CA-O 3.42Å; T144-H182 PolarHBondContact OG1-CE1 3.5Å; T144-H182 PolarHBondContact OG1-ND1 3.08Å; T144-G210 CarbonylContact O-C 3.55Å; T144-G210 WeakPolarHBondContact O-CA 3.45Å; T144-R211 PolarHBondContact N-O 2.91Å; T144-R211 PolarHBondContact O-N 3.29Å
145V90.2Very high78.3Confident0 Ų062.9 Ų62.90%036%0.362CS..EExtended strand (participates in β ladder)trans-99.8126.5176.8-172.80000108.8L143 L148 V180 A181 V183 V208 R209L143-V145 HydrophobicContact CD2-CG2 4.03Å; L143-V145 HydrophobicContact CG-CG2 4.1Å; V145-L148 HydrophobicContact CB-CD1 4.31Å; V145-L148 HydrophobicContact CG1-CD1 4.01Å; V145-L148 HydrophobicContact CG1-CD2 3.74Å; V145-L148 HydrophobicContact CG1-CG 3.95Å; V145-V180 CarbonylContact O-C 3.52Å; V145-V180 VanDerWaalsContact O-CA 3.26Å; V145-V180 WeakPolarHBondContact O-CA 3.47Å; V145-A181 PolarHBondContact N-O 3.03Å; V145-A181 PolarHBondContact O-N 3.25Å; V145-V183 HydrophobicContact CG2-CG2 3.92Å; V145-V208 HydrophobicContact CG1-CG1 3.23Å; V145-R209 CarbonylContact C-O 3.54Å
146S90.1Very high80.5Confident30 Ų3056.4 Ų56.421%0.2133%0.334CS..EExtended strand (participates in β ladder)trans-127.4162.7-175.861.70000111.5L148 G179 R209S146-L148 VanDerWaalsContact C-N 3.32Å; S146-G179 CarbonylContact C-O 3.48Å; S146-R209 PolarHBondContact N-O 3.44Å; S146-R209 PolarHBondContact O-N 2.97Å; S146-R209 VanDerWaalsContact OG-CB 3.28Å; S146-R209 WeakPolarHBondContact OG-CB 3.37Å; S146-R209 PolarHBondContact OG-O 2.92Å
147N89.8Confident82.7Confident47 Ų4753.8 Ų53.825%0.25131%0.308SS..SBendtrans67.928-175.4-160.945.7000114.1G179 R206 P207N147-G179 PolarHBondContact N-O 3.5Å; N147-R206 VanDerWaalsContact OD1-CZ 3.32Å; N147-R206 PolarHBondContact OD1-NE 3.34Å; N147-R206 PolarHBondContact OD1-NH2 2.66Å; N147-P207 PolarHBondContact ND2-O 3.12Å
148L88Confident84.6Confident0 Ų054 Ų540%030%0.301CS..  trans-71.3148173.6-63.8171.3000110.6V145 S146 A152 I157 G179 A181 M203 R206 V208V145-L148 HydrophobicContact CB-CD1 4.31Å; V145-L148 HydrophobicContact CG1-CD1 4.01Å; V145-L148 HydrophobicContact CG1-CD2 3.74Å; V145-L148 HydrophobicContact CG1-CG 3.95Å; S146-L148 VanDerWaalsContact C-N 3.32Å; L148-A152 HydrophobicContact CB-CB 4.3Å; L148-I157 HydrophobicContact CD1-CD1 3.67Å; L148-I157 HydrophobicContact CD1-CG1 4.19Å; L148-G179 PolarHBondContact N-O 2.93Å; L148-G179 WeakPolarHBondContact O-CA 3.28Å; L148-A181 HydrophobicContact CD1-CB 3.6Å; L148-M203 HydrophobicContact CD2-CE 4.26Å; L148-M203 HydrophobicContact CD2-SD 3.69Å; L148-R206 PolarHBondContact O-NH1 3.11Å; L148-V208 HydrophobicContact CD2-CG1 4.15Å; L148-V208 HydrophobicContact CD2-CG2 4.16Å
149P85.1Confident86Confident17 Ų1758.4 Ų58.411%0.1129%0.293CS..  trans-60.5143.5172.723.8-27.9000109.6T151 A152 M203P149-T151 PolarHBondContact O-N 3.2Å; P149-T151 VanDerWaalsContact O-N 3.09Å; P149-A152 HydrophobicContact CG-CB 3.92Å; P149-A152 WeakPolarHBondContact O-CB 3.1Å; P149-A152 PolarHBondContact O-N 2.74Å; P149-M203 HydrophobicContact CG-CB 4.13Å
150Y86.5Confident86.8Confident154 Ų15456.8 Ų56.860%0.60428%0.282SS*.THydrogen-bonded Turntrans-65.3-15.5-178.6-59.2-56.7000113S177Y150-S177 WeakPolarHBondContact CD1-O 3.2Å
151T85.5Confident87.2Confident130 Ų13055.4 Ų55.480%0.79827%0.269SS*.THydrogen-bonded Turntrans-86.3-7.4172.5580000113.3P149 S153P149-T151 PolarHBondContact O-N 3.2Å; P149-T151 VanDerWaalsContact O-N 3.09Å; T151-S153 PolarHBondContact O-N 2.88Å
152A83.4Confident87.1Confident8 Ų859.6 Ų59.67%0.06630%0.296CS..  trans-66.1123.8177.800000110.1L148 P149L148-A152 HydrophobicContact CB-CB 4.3Å; P149-A152 HydrophobicContact CG-CB 3.92Å; P149-A152 WeakPolarHBondContact O-CB 3.1Å; P149-A152 PolarHBondContact O-N 2.74Å
153S85.9Confident86.8Confident46 Ų4663.4 Ų63.432%0.32231%0.312SS..  trans-92.3166.7171.668.40000111T151 R155 D156 I157T151-S153 PolarHBondContact O-N 2.88Å; S153-R155 PolarHBondContact O-N 2.87Å; S153-D156 WeakPolarHBondContact CB-OD2 3.38Å; S153-D156 PolarHBondContact N-OD2 3.4Å; S153-D156 PolarHBondContact O-N 3.05Å; S153-D156 VanDerWaalsContact O-N 3.16Å; S153-D156 VanDerWaalsContact OG-CG 3.3Å; S153-D156 PolarHBondContact OG-N 3.09Å; S153-D156 PolarHBondContact OG-OD2 3.31Å; S153-I157 PolarHBondContact O-N 2.83Å
154E87.7Confident86.6Confident90 Ų9064 Ų6442%0.42132%0.317SS..Hα-helixtrans-56.1-37.3173.4-167.1-175.6156.100111.4D156 I157 M158 V167 L169E154-D156 PolarHBondContact O-N 2.87Å; E154-I157 PolarHBondContact O-N 2.78Å; E154-M158 WeakPolarHBondContact O-CB 3.24Å; E154-M158 PolarHBondContact O-N 3.26Å; E154-V167 HydrophobicContact CG-CB 3.56Å; E154-V167 HydrophobicContact CG-CG1 3.64Å; E154-L169 HydrophobicContact CB-CD1 4.34Å
155R86.5Confident86.4Confident131 Ų13168.3 Ų68.349%0.49434%0.338SS..Hα-helixtrans-61.6-40.7177.9-67.2-178.5173.3177.3-3.1112.2E77 S153 I157 M158 R159E77-R155 IonicContact OE1-CZ 3.82Å; E77-R155 IonicContact OE1-NH2 2.72Å; E77-R155 PolarHBondContact OE1-NH2 2.75Å; S153-R155 PolarHBondContact O-N 2.87Å; R155-I157 VanDerWaalsContact C-N 3.31Å; R155-I157 PolarHBondContact O-N 3.07Å; R155-M158 PolarHBondContact O-N 3.11Å; R155-R159 WeakPolarHBondContact O-CG 3.25Å; R155-R159 PolarHBondContact O-N 3.12Å
156D87.2Confident86.2Confident63 Ų6374.2 Ų74.234%0.33736%0.361SS..Hα-helixtrans-65-39.5179-58.5-50.6000110.9S153 E154 R159 E160S153-D156 WeakPolarHBondContact CB-OD2 3.38Å; S153-D156 PolarHBondContact N-OD2 3.4Å; S153-D156 PolarHBondContact O-N 3.05Å; S153-D156 VanDerWaalsContact O-N 3.16Å; S153-D156 VanDerWaalsContact OG-CG 3.3Å; S153-D156 PolarHBondContact OG-N 3.09Å; S153-D156 PolarHBondContact OG-OD2 3.31Å; E154-D156 PolarHBondContact O-N 2.87Å; D156-R159 PolarHBondContact O-N 3.34Å; D156-E160 WeakPolarHBondContact O-CG 3.5Å; D156-E160 PolarHBondContact O-N 3.22Å
157I86.9Confident86.2Confident0 Ų073 Ų730%035%0.352CS..Hα-helixtrans-68.7-42.8177.8-59.7167.5000110.5L148 S153 E154 R155 R159 E160 F161 V167 L169 A181 V183L148-I157 HydrophobicContact CD1-CD1 3.67Å; L148-I157 HydrophobicContact CD1-CG1 4.19Å; S153-I157 PolarHBondContact O-N 2.83Å; E154-I157 PolarHBondContact O-N 2.78Å; R155-I157 VanDerWaalsContact C-N 3.31Å; R155-I157 PolarHBondContact O-N 3.07Å; I157-R159 VanDerWaalsContact C-N 3.32Å; I157-R159 PolarHBondContact O-N 3.05Å; I157-E160 PolarHBondContact O-N 2.95Å; I157-E160 VanDerWaalsContact O-N 3.11Å; I157-F161 HydrophobicContact CG2-CD2 3.87Å; I157-F161 HydrophobicContact CG2-CE2 4.38Å; I157-F161 WeakPolarHBondContact O-CD2 3.49Å; I157-F161 PolarHBondContact O-N 3.44Å; I157-V167 HydrophobicContact CB-CG1 4.02Å; I157-V167 HydrophobicContact CD1-CG1 4.02Å; I157-V167 HydrophobicContact CG2-CG1 3.81Å; I157-V167 HydrophobicContact CG2-CG2 4.25Å; I157-L169 HydrophobicContact CD1-CD2 3.4Å; I157-L169 VanDerWaalsContact CD1-CD2 3.4Å; I157-L169 HydrophobicContact CD1-CG 4.32Å; I157-A181 HydrophobicContact CD1-CB 3.49Å; I157-A181 VanDerWaalsContact CD1-CB 3.49Å; I157-V183 HydrophobicContact CG2-CG2 3.74Å
158M87.3Confident86.2Confident85 Ų8572.8 Ų72.842%0.41936%0.356SS..Hα-helixtrans-65.7-33.4178.7-169.3176.2-79.100112.4E154 R155 E160 F161 P162 V167E154-M158 WeakPolarHBondContact O-CB 3.24Å; E154-M158 PolarHBondContact O-N 3.26Å; R155-M158 PolarHBondContact O-N 3.11Å; M158-E160 VanDerWaalsContact C-N 3.28Å; M158-E160 PolarHBondContact O-N 2.9Å; M158-F161 CarbonylContact O-C 3.51Å; M158-F161 PolarHBondContact O-N 3.39Å; M158-P162 WeakPolarHBondContact O-CA 3.19Å; M158-V167 HydrophobicContact CE-CG2 4.4Å
159R86Confident86.3Confident203 Ų20374.9 Ų74.977%0.76637%0.367SS*.Hα-helixtrans-63.4-35.6171.4-75.9175.6-178.1-157.50.4112.6R155 D156 I157R155-R159 WeakPolarHBondContact O-CG 3.25Å; R155-R159 PolarHBondContact O-N 3.12Å; D156-R159 PolarHBondContact O-N 3.34Å; I157-R159 VanDerWaalsContact C-N 3.32Å; I157-R159 PolarHBondContact O-N 3.05Å
160E83.7Confident86.5Confident77 Ų7775.6 Ų75.636%0.3637%0.373SS..Hα-helixtrans-84.8-22.9-176.7-65.9-76.2-179.900112.3D156 I157 M158 K201 M203D156-E160 WeakPolarHBondContact O-CG 3.5Å; D156-E160 PolarHBondContact O-N 3.22Å; I157-E160 PolarHBondContact O-N 2.95Å; I157-E160 VanDerWaalsContact O-N 3.11Å; M158-E160 VanDerWaalsContact C-N 3.28Å; M158-E160 PolarHBondContact O-N 2.9Å; E160-K201 HydrophobicContact CB-CD 4.37Å; E160-K201 PolarHBondContact O-NZ 3.21Å; E160-K201 WeakPolarHBondContact OE2-CD 3.47Å; E160-K201 WeakPolarHBondContact OE2-CE 3.4Å; E160-K201 IonicContact OE2-NZ 2.59Å; E160-K201 PolarHBondContact OE2-NZ 2.94Å; E160-M203 HydrophobicContact CB-CE 3.56Å; E160-M203 HydrophobicContact CG-CE 3.46Å; E160-M203 VanDerWaalsContact CG-CE 3.46Å
161F84.9Confident86.6Confident9 Ų973 Ų734%0.03937%0.369CS..  trans-13077.5175.4-56.2-73.9000110.7I157 M158 E163 A164 F185 A194 C198 M203I157-F161 HydrophobicContact CG2-CD2 3.87Å; I157-F161 HydrophobicContact CG2-CE2 4.38Å; I157-F161 WeakPolarHBondContact O-CD2 3.49Å; I157-F161 PolarHBondContact O-N 3.44Å; M158-F161 CarbonylContact O-C 3.51Å; M158-F161 PolarHBondContact O-N 3.39Å; F161-E163 PolarHBondContact O-N 3.38Å; F161-A164 HydrophobicContact CB-CB 4.31Å; F161-A164 VanDerWaalsContact O-CB 3.23Å; F161-A164 WeakPolarHBondContact O-CB 3.5Å; F161-A164 PolarHBondContact O-N 2.96Å; F161-A164 VanDerWaalsContact O-N 3.12Å; F161-F185 HydrophobicContact CB-CE1 4.43Å; F161-F185 HydrophobicContact CB-CZ 4.17Å; F161-F185 HydrophobicContact CD1-CZ 4.28Å; F161-F185 HydrophobicContact CG-CZ 4.38Å; F161-A194 HydrophobicContact CD1-CB 3.82Å; F161-A194 HydrophobicContact CE1-CB 3.97Å; F161-C198 WeakPolarHBondContact CZ-SG 3.35Å; F161-M203 HydrophobicContact CE2-CE 4.38Å
162P83.3Confident86.6Confident101 Ų10170 Ų7066%0.65635%0.348SS*.THydrogen-bonded Turntrans-65.9-21-178.326.4-35.2000113.4M158 A164M158-P162 WeakPolarHBondContact O-CA 3.19Å; P162-A164 PolarHBondContact O-N 3.45Å
163E83.5Confident86.6Confident112 Ų11278.8 Ų78.852%0.52339%0.388SS..THydrogen-bonded Turntrans-79.90.3177.3-61-67.3135.200113.3F161 F185 Q190F161-E163 PolarHBondContact O-N 3.38Å; E163-F185 HydrophobicContact CB-CD1 4.18Å; E163-F185 HydrophobicContact CB-CE1 4.11Å; E163-F185 WeakPolarHBondContact O-CD1 3.4Å; E163-Q190 PolarHBondContact OE2-NE2 3.24Å
164A86.2Confident86.4Confident14 Ų1483 Ų8312%0.11640%0.403CS..EExtended strand (participates in β ladder)trans-71.4127.9178.800000111.3F161 P162 V167 V183 F185F161-A164 HydrophobicContact CB-CB 4.31Å; F161-A164 VanDerWaalsContact O-CB 3.23Å; F161-A164 WeakPolarHBondContact O-CB 3.5Å; F161-A164 PolarHBondContact O-N 2.96Å; F161-A164 VanDerWaalsContact O-N 3.12Å; P162-A164 PolarHBondContact O-N 3.45Å; A164-V167 HydrophobicContact CB-CG2 4.03Å; A164-V183 HydrophobicContact CB-CG1 3.36Å; A164-F185 HydrophobicContact CB-CE1 4.31Å
165L87.1Confident86Confident117 Ų11781 Ų8161%0.61341%0.406SS*.EExtended strand (participates in β ladder)trans-76-38.7171.1-67.1-179.7000111.9T184L165-T184 WeakPolarHBondContact CB-O 3.34Å; L165-T184 PolarHBondContact N-O 3.26Å
166R86.7Confident85.7Confident124 Ų12482.1 Ų82.147%0.46841%0.41SS..EExtended strand (participates in β ladder)trans-148.5138.2-176.7-176.3175.8177.6169.40.2110.4V183 T184R166-V183 CarbonylContact O-C 3.48Å; R166-V183 WeakPolarHBondContact O-CA 3.44Å; R166-T184 PolarHBondContact N-O 3.27Å; R166-T184 PolarHBondContact O-N 2.83Å
167V90.1Very high85.6Confident6 Ų679.8 Ų79.84%0.03640%0.399CS..EExtended strand (participates in β ladder)trans-121.1132.2173.3-177.90000108.3E154 I157 M158 A164 H182 V183E154-V167 HydrophobicContact CG-CB 3.56Å; E154-V167 HydrophobicContact CG-CG1 3.64Å; I157-V167 HydrophobicContact CB-CG1 4.02Å; I157-V167 HydrophobicContact CD1-CG1 4.02Å; I157-V167 HydrophobicContact CG2-CG1 3.81Å; I157-V167 HydrophobicContact CG2-CG2 4.25Å; M158-V167 HydrophobicContact CE-CG2 4.4Å; A164-V167 HydrophobicContact CB-CG2 4.03Å; V167-H182 CarbonylContact C-O 3.52Å; V167-H182 WeakPolarHBondContact CA-O 3.49Å; V167-V183 HydrophobicContact CG1-CG2 4.37Å; V167-V183 HydrophobicContact CG2-CG1 4.25Å; V167-V183 HydrophobicContact CG2-CG2 4.38Å
168A89.7Confident85.6Confident41 Ų4187.6 Ų87.634%0.33943%0.428SS..EExtended strand (participates in β ladder)trans-129.6112.5176.900000109.4A181 H182A168-A181 CarbonylContact O-C 3.59Å; A168-A181 WeakPolarHBondContact O-CA 3.2Å; A168-H182 HydrophobicContact CB-CB 4.44Å; A168-H182 PolarHBondContact N-O 2.84Å; A168-H182 PolarHBondContact O-N 3.05Å
169L89.9Confident85.6Confident44 Ų4483.6 Ų83.623%0.2341%0.409CS..EExtended strand (participates in β ladder)trans-75.8131174.6-74.8175.3000110.5E154 I157 L171 A181E154-L169 HydrophobicContact CB-CD1 4.34Å; I157-L169 HydrophobicContact CD1-CD2 3.4Å; I157-L169 VanDerWaalsContact CD1-CD2 3.4Å; I157-L169 HydrophobicContact CD1-CG 4.32Å; L169-L171 HydrophobicContact CB-CD2 4.15Å; L169-L171 PolarHBondContact O-N 2.94Å; L169-A181 HydrophobicContact CD2-CB 3.85Å
170S88.6Confident85.8Confident33 Ų3375.8 Ų75.823%0.23138%0.384CS..EExtended strand (participates in β ladder)trans-79.5105.3169.4-64.10000109.2R178 V180S170-R178 WeakPolarHBondContact O-CB 3.31Å; S170-R178 PolarHBondContact O-N 2.87Å; S170-V180 WeakPolarHBondContact CB-O 3.21Å; S170-V180 PolarHBondContact N-O 3.19Å
171L88.7Confident86.1Confident98 Ų9872.1 Ų72.151%0.51337%0.367SS..EExtended strand (participates in β ladder)trans-92.7150.3174.4-53.4-179000110.4L169 R176L169-L171 HydrophobicContact CB-CD2 4.15Å; L169-L171 PolarHBondContact O-N 2.94Å; L171-R176 CarbonylContact C-O 3.54Å; L171-R176 WeakPolarHBondContact CA-O 3.01Å
172D85.7Confident86.5Confident67 Ų6774.4 Ų74.436%0.35838%0.377SS..  trans-78.2170.6170.3-166.418.1000110.5Q174 G175 R176 R178D172-Q174 PolarHBondContact O-N 3.02Å; D172-G175 WeakPolarHBondContact O-CA 3.32Å; D172-G175 PolarHBondContact O-N 3.45Å; D172-R176 WeakPolarHBondContact CB-O 3.48Å; D172-R176 PolarHBondContact N-O 3.43Å; D172-R176 IonicContact OD2-NH2 3.35Å; D172-R178 HydrophobicContact CB-CG 3.98Å
173E83.3Confident86.8Confident194 Ų19469.6 Ų69.691%0.90735%0.346SS*.THydrogen-bonded Turntrans-56.9-25.6178.3-166.8177.8174.100112.5G175E173-G175 VanDerWaalsContact C-N 3.31Å
174Q80.7Confident87.2Confident135 Ų13566 Ų6663%0.63133%0.332SS*.THydrogen-bonded Turntrans-87.78176.5-60.4175.6-3.200113.7D172 R176D172-Q174 PolarHBondContact O-N 3.02Å; Q174-R176 HydrophobicContact CB-CG 4.41Å; Q174-R176 PolarHBondContact O-N 3.07Å
175G80Confident87.3Confident48 Ų4865.5 Ų65.550%0.49533%0.327SS..SBendtrans73.45.8-177.400000114.9D172 E173D172-G175 WeakPolarHBondContact O-CA 3.32Å; D172-G175 PolarHBondContact O-N 3.45Å; E173-G175 VanDerWaalsContact C-N 3.31Å
176R80.4Confident87.4Confident153 Ų15361.7 Ų61.758%0.57731%0.31SS*.  trans-81.4137.3178.6-61.8-176.9-62.1176.35.3110L171 D172 Q174 R178L171-R176 CarbonylContact C-O 3.54Å; L171-R176 WeakPolarHBondContact CA-O 3.01Å; D172-R176 WeakPolarHBondContact CB-O 3.48Å; D172-R176 PolarHBondContact N-O 3.43Å; D172-R176 IonicContact OD2-NH2 3.35Å; Q174-R176 HydrophobicContact CB-CG 4.41Å; Q174-R176 PolarHBondContact O-N 3.07Å; R176-R178 PolarHBondContact O-N 2.78Å
177S85.1Confident87.3Confident14 Ų1459.4 Ų59.410%0.09831%0.307CS..EExtended strand (participates in β ladder)trans-57.5130.7174.3-179.80000110.3Y150 G179Y150-S177 WeakPolarHBondContact CD1-O 3.2Å; S177-G179 PolarHBondContact O-N 2.78Å; S177-G179 PolarHBondContact OG-N 2.81Å
178R87.7Confident87.1Confident164 Ų16462.3 Ų62.362%0.61933%0.328SS*.EExtended strand (participates in β ladder)trans-77.2-1.1172.5-64.1-177.868.1-178.62112S170 D172 R176 V180S170-R178 WeakPolarHBondContact O-CB 3.31Å; S170-R178 PolarHBondContact O-N 2.87Å; D172-R178 HydrophobicContact CB-CG 3.98Å; R176-R178 PolarHBondContact O-N 2.78Å; R178-V180 VanDerWaalsContact C-N 3.29Å
179G87.4Confident87Confident1 Ų166.5 Ų66.51%0.0135%0.345CS..EExtended strand (participates in β ladder)trans72.724.8-172.700000112.7S146 N147 L148 S177S146-G179 CarbonylContact C-O 3.48Å; N147-G179 PolarHBondContact N-O 3.5Å; L148-G179 PolarHBondContact N-O 2.93Å; L148-G179 WeakPolarHBondContact O-CA 3.28Å; S177-G179 PolarHBondContact O-N 2.78Å; S177-G179 PolarHBondContact OG-N 2.81Å
180V89.8Confident86.8Confident40 Ų4066.6 Ų66.624%0.24234%0.344CS..EExtended strand (participates in β ladder)trans-129.4138.8176.8-177.10000109.1T144 V145 S170 R178T144-V180 HydrophobicContact CG2-CG1 3.81Å; V145-V180 CarbonylContact O-C 3.52Å; V145-V180 VanDerWaalsContact O-CA 3.26Å; V145-V180 WeakPolarHBondContact O-CA 3.47Å; S170-V180 WeakPolarHBondContact CB-O 3.21Å; S170-V180 PolarHBondContact N-O 3.19Å; R178-V180 VanDerWaalsContact C-N 3.29Å
181A90.3Very high86.7Confident0 Ų065 Ų650%033%0.333CS..EExtended strand (participates in β ladder)trans-137.2147.1177.800000110.7T144 V145 L148 I157 A168 L169T144-A181 CarbonylContact C-O 3.45Å; T144-A181 WeakPolarHBondContact CA-O 3.42Å; V145-A181 PolarHBondContact N-O 3.03Å; V145-A181 PolarHBondContact O-N 3.25Å; L148-A181 HydrophobicContact CD1-CB 3.6Å; I157-A181 HydrophobicContact CD1-CB 3.49Å; I157-A181 VanDerWaalsContact CD1-CB 3.49Å; A168-A181 CarbonylContact O-C 3.59Å; A168-A181 WeakPolarHBondContact O-CA 3.2Å; L169-A181 HydrophobicContact CD2-CB 3.85Å
182H91.7Very high86.6Confident57 Ų5762.6 Ų62.626%0.26432%0.324SS..EExtended strand (participates in β ladder)trans-107.1121.3171.5-64-89.5000108.6T142 T144 V167 A168 Q213T142-H182 HydrophobicContact CG2-CB 4.12Å; T144-H182 PolarHBondContact OG1-CE1 3.5Å; T144-H182 PolarHBondContact OG1-ND1 3.08Å; V167-H182 CarbonylContact C-O 3.52Å; V167-H182 WeakPolarHBondContact CA-O 3.49Å; A168-H182 HydrophobicContact CB-CB 4.44Å; A168-H182 PolarHBondContact N-O 2.84Å; A168-H182 PolarHBondContact O-N 3.05Å; H182-Q213 PolarHBondContact ND1-OE1 3.42Å; H182-Q213 VanDerWaalsContact ND1-OE1 3.15Å
183V91.2Very high86.7Confident0 Ų062.1 Ų62.10%033%0.329CS..EExtended strand (participates in β ladder)trans-114.6117.1-178.5-1750000107.9T142 L143 V145 I157 A164 R166 V167 F185T142-V183 CarbonylContact C-O 3.42Å; T142-V183 WeakPolarHBondContact CA-O 3.22Å; L143-V183 HydrophobicContact CB-CB 4.46Å; L143-V183 PolarHBondContact N-O 2.81Å; L143-V183 PolarHBondContact O-N 2.72Å; V145-V183 HydrophobicContact CG2-CG2 3.92Å; I157-V183 HydrophobicContact CG2-CG2 3.74Å; A164-V183 HydrophobicContact CB-CG1 3.36Å; R166-V183 CarbonylContact O-C 3.48Å; R166-V183 WeakPolarHBondContact O-CA 3.44Å; V167-V183 HydrophobicContact CG1-CG2 4.37Å; V167-V183 HydrophobicContact CG2-CG1 4.25Å; V167-V183 HydrophobicContact CG2-CG2 4.38Å; V183-F185 HydrophobicContact CB-CE2 3.98Å; V183-F185 HydrophobicContact CB-CZ 4.4Å; V183-F185 HydrophobicContact CG1-CD2 4.24Å; V183-F185 HydrophobicContact CG1-CE1 4.29Å; V183-F185 HydrophobicContact CG1-CE2 3.5Å; V183-F185 VanDerWaalsContact CG1-CE2 3.5Å; V183-F185 HydrophobicContact CG1-CZ 3.52Å
184T90.2Very high86.9Confident37 Ų3753.2 Ų53.223%0.22729%0.289CS..EExtended strand (participates in β ladder)trans-95.8128.6-179.9-52.40000109.4L165 R166L165-T184 WeakPolarHBondContact CB-O 3.34Å; L165-T184 PolarHBondContact N-O 3.26Å; R166-T184 PolarHBondContact N-O 3.27Å; R166-T184 PolarHBondContact O-N 2.83Å
185F90Very high87.2Confident2 Ų249.4 Ų49.41%0.00927%0.273CS..EExtended strand (participates in β ladder)trans-110.6152.3177.6-67.6-84.3000110.5A140 C141 L143 F161 E163 A164 V183 N187 Q190 C191 A194A140-F185 WeakPolarHBondContact CA-O 3.21Å; C141-F185 PolarHBondContact N-O 2.78Å; C141-F185 VanDerWaalsContact N-O 3.08Å; C141-F185 PolarHBondContact O-N 3.33Å; L143-F185 HydrophobicContact CB-CD2 4.16Å; L143-F185 HydrophobicContact CB-CE2 3.71Å; L143-F185 HydrophobicContact CD2-CE2 3.91Å; L143-F185 HydrophobicContact CD2-CZ 4.45Å; L143-F185 HydrophobicContact CG-CE2 4.48Å; F161-F185 HydrophobicContact CB-CE1 4.43Å; F161-F185 HydrophobicContact CB-CZ 4.17Å; F161-F185 HydrophobicContact CD1-CZ 4.28Å; F161-F185 HydrophobicContact CG-CZ 4.38Å; E163-F185 HydrophobicContact CB-CD1 4.18Å; E163-F185 HydrophobicContact CB-CE1 4.11Å; E163-F185 WeakPolarHBondContact O-CD1 3.4Å; A164-F185 HydrophobicContact CB-CE1 4.31Å; V183-F185 HydrophobicContact CB-CE2 3.98Å; V183-F185 HydrophobicContact CB-CZ 4.4Å; V183-F185 HydrophobicContact CG1-CD2 4.24Å; V183-F185 HydrophobicContact CG1-CE1 4.29Å; V183-F185 HydrophobicContact CG1-CE2 3.5Å; V183-F185 VanDerWaalsContact CG1-CE2 3.5Å; V183-F185 HydrophobicContact CG1-CZ 3.52Å; F185-N187 VanDerWaalsContact C-N 3.31Å; F185-Q190 HydrophobicContact CB-CB 4.35Å; F185-Q190 HydrophobicContact CD1-CB 4.05Å; F185-Q190 HydrophobicContact CG-CB 4.43Å; F185-C191 HydrophobicContact CB-CB 4.22Å; F185-C191 HydrophobicContact CD2-CB 4.01Å; F185-C191 HydrophobicContact CG-CB 4.3Å; F185-A194 HydrophobicContact CE1-CB 4.1Å; F185-A194 HydrophobicContact CE2-CB 3.92Å; F185-A194 HydrophobicContact CZ-CB 3.5Å; F185-A194 VanDerWaalsContact CZ-CB 3.5Å
186S87.5Confident87.5Confident37 Ų3751.8 Ų51.826%0.25928%0.278SS..SBendtrans-64.9-37.2175.864.50000112.4N139 Q190N139-S186 CarbonylContact C-O 3.58Å; S186-Q190 PolarHBondContact OG-OE1 3.44Å
187N85.1Confident87.7Confident77 Ų7747.3 Ų47.341%0.41227%0.27SS..SBendtrans-128.2144.2-171.5-63.2-19000111.7F185 D189 Q190 C191F185-N187 VanDerWaalsContact C-N 3.31Å; N187-D189 VanDerWaalsContact C-N 3.27Å; N187-D189 PolarHBondContact O-N 3.09Å; N187-Q190 HydrophobicContact CB-CB 4.48Å; N187-Q190 HydrophobicContact CB-CG 4.16Å; N187-Q190 PolarHBondContact O-N 3.32Å; N187-C191 PolarHBondContact O-N 2.85Å
188S86Confident87.6Confident67 Ų6746.7 Ų46.747%0.46927%0.266SS..Hα-helixtrans-54.8-37.8170160.10000113.5N139 C191 S192N139-S188 PolarHBondContact O-N 3.27Å; S188-C191 VanDerWaalsContact O-CB 3.31Å; S188-C191 WeakPolarHBondContact O-CB 3.39Å; S188-C191 PolarHBondContact O-N 3.37Å; S188-S192 PolarHBondContact O-N 3.16Å; S188-S192 PolarHBondContact O-OG 2.97Å
189D86.6Confident87.1Confident129 Ų12941.3 Ų41.369%0.6926%0.262SS*.Hα-helixtrans-66.8-41.9-178.6-62.9-37.6000111.8N187 C191 S192 A193N187-D189 VanDerWaalsContact C-N 3.27Å; N187-D189 PolarHBondContact O-N 3.09Å; D189-C191 VanDerWaalsContact C-N 3.33Å; D189-C191 PolarHBondContact O-N 2.87Å; D189-S192 PolarHBondContact O-N 3.28Å; D189-A193 WeakPolarHBondContact O-CB 3.45Å; D189-A193 PolarHBondContact O-N 3.45Å
190Q86.4Confident86.5Confident45 Ų4548.3 Ų48.321%0.2130%0.299CS..Hα-helixtrans-62.7-42.5175.2-67.8-178.6-14.800111E163 F185 S186 N187 S192 A193 A194E163-Q190 PolarHBondContact OE2-NE2 3.24Å; F185-Q190 HydrophobicContact CB-CB 4.35Å; F185-Q190 HydrophobicContact CD1-CB 4.05Å; F185-Q190 HydrophobicContact CG-CB 4.43Å; S186-Q190 PolarHBondContact OG-OE1 3.44Å; N187-Q190 HydrophobicContact CB-CB 4.48Å; N187-Q190 HydrophobicContact CB-CG 4.16Å; N187-Q190 PolarHBondContact O-N 3.32Å; Q190-S192 VanDerWaalsContact C-N 3.32Å; Q190-S192 PolarHBondContact O-N 3.48Å; Q190-A193 PolarHBondContact O-N 3.47Å; Q190-A194 VanDerWaalsContact O-CB 3.25Å; Q190-A194 WeakPolarHBondContact O-CB 3.49Å; Q190-A194 PolarHBondContact O-N 2.94Å
191C87.7Confident86Confident0 Ų049.2 Ų49.20%030%0.3CS..Hα-helixtrans-59.9-41.1176.3-162.80000112C141 F185 N187 S188 D189 A194 L195C141-C191 HydrophobicContact CB-CB 3.41Å; C141-C191 VanDerWaalsContact CB-CB 3.41Å; C141-C191 WeakPolarHBondContact CB-SG 3.24Å; C141-C191 WeakPolarHBondContact SG-CB 3.5Å; C141-C191 CovalentContact SG-SG 2.06Å; C141-C191 PolarHBondContact SG-SG 3.27Å; F185-C191 HydrophobicContact CB-CB 4.22Å; F185-C191 HydrophobicContact CD2-CB 4.01Å; F185-C191 HydrophobicContact CG-CB 4.3Å; N187-C191 PolarHBondContact O-N 2.85Å; S188-C191 VanDerWaalsContact O-CB 3.31Å; S188-C191 WeakPolarHBondContact O-CB 3.39Å; S188-C191 PolarHBondContact O-N 3.37Å; D189-C191 VanDerWaalsContact C-N 3.33Å; D189-C191 PolarHBondContact O-N 2.87Å; C191-A194 PolarHBondContact O-N 3.48Å; C191-L195 WeakPolarHBondContact O-CB 3.38Å; C191-L195 PolarHBondContact O-N 2.79Å
192S86.4Confident85.5Confident47 Ų4756.3 Ų56.333%0.32933%0.334SS..Hα-helixtrans-72.3-39.5178.3-60.90000112.7S188 D189 Q190 A194 L195 T196S188-S192 PolarHBondContact O-N 3.16Å; S188-S192 PolarHBondContact O-OG 2.97Å; D189-S192 PolarHBondContact O-N 3.28Å; Q190-S192 VanDerWaalsContact C-N 3.32Å; Q190-S192 PolarHBondContact O-N 3.48Å; S192-A194 VanDerWaalsContact C-N 3.35Å; S192-L195 WeakPolarHBondContact O-CB 3.38Å; S192-L195 PolarHBondContact O-N 2.85Å; S192-T196 PolarHBondContact O-N 2.81Å; S192-T196 VanDerWaalsContact O-N 3.11Å; S192-T196 PolarHBondContact O-OG1 3.14Å
193A86.7Confident84.9Confident57 Ų5754.3 Ų54.347%0.47133%0.325SS..Hα-helixtrans-63.7-41.7172.500000111.5D189 Q190 T196 S197D189-A193 WeakPolarHBondContact O-CB 3.45Å; D189-A193 PolarHBondContact O-N 3.45Å; Q190-A193 PolarHBondContact O-N 3.47Å; A193-T196 PolarHBondContact O-N 2.73Å; A193-S197 WeakPolarHBondContact O-CB 3.47Å; A193-S197 PolarHBondContact O-N 3.21Å; A193-S197 PolarHBondContact O-OG 3.28Å
194A87.4Confident84.2Confident8 Ų857.7 Ų57.77%0.06636%0.36CS..Hα-helixtrans-64.5-40.2174.900000112.1L143 F161 F185 Q190 C191 S192 T196 S197 C198L143-A194 HydrophobicContact CD2-CB 3.78Å; F161-A194 HydrophobicContact CD1-CB 3.82Å; F161-A194 HydrophobicContact CE1-CB 3.97Å; F185-A194 HydrophobicContact CE1-CB 4.1Å; F185-A194 HydrophobicContact CE2-CB 3.92Å; F185-A194 HydrophobicContact CZ-CB 3.5Å; F185-A194 VanDerWaalsContact CZ-CB 3.5Å; Q190-A194 VanDerWaalsContact O-CB 3.25Å; Q190-A194 WeakPolarHBondContact O-CB 3.49Å; Q190-A194 PolarHBondContact O-N 2.94Å; C191-A194 PolarHBondContact O-N 3.48Å; S192-A194 VanDerWaalsContact C-N 3.35Å; A194-T196 VanDerWaalsContact C-N 3.34Å; A194-T196 PolarHBondContact O-N 3.38Å; A194-S197 PolarHBondContact O-N 3.23Å; A194-C198 PolarHBondContact O-N 2.6Å; A194-C198 PolarHBondContact O-SG 3.41Å
195L88.2Confident83.7Confident55 Ų5559.3 Ų59.329%0.28838%0.384SS..Hα-helixtrans-58.1-45.8173.9177.267.9000111.9L143 C191 S192 S197 C198 G199 G210 I212L143-L195 HydrophobicContact CD1-CB 3.9Å; L143-L195 HydrophobicContact CD1-CD1 3.83Å; L143-L195 HydrophobicContact CD1-CG 4.46Å; C191-L195 WeakPolarHBondContact O-CB 3.38Å; C191-L195 PolarHBondContact O-N 2.79Å; S192-L195 WeakPolarHBondContact O-CB 3.38Å; S192-L195 PolarHBondContact O-N 2.85Å; L195-S197 VanDerWaalsContact C-N 3.32Å; L195-C198 WeakPolarHBondContact O-CB 3.34Å; L195-C198 PolarHBondContact O-N 3.01Å; L195-G199 PolarHBondContact O-N 3.45Å; L195-G210 WeakPolarHBondContact CD1-O 3.32Å; L195-I212 HydrophobicContact CB-CD1 4.5Å; L195-I212 HydrophobicContact CB-CG1 4.47Å; L195-I212 HydrophobicContact CD2-CD1 3.77Å; L195-I212 HydrophobicContact CD2-CG1 4.01Å
196T86Confident83.4Confident97 Ų9762.3 Ų62.360%0.59540%0.396SS*.Hα-helixtrans-64.4-41.5178.5-540000110.8S192 A193 A194 C198 G199S192-T196 PolarHBondContact O-N 2.81Å; S192-T196 VanDerWaalsContact O-N 3.11Å; S192-T196 PolarHBondContact O-OG1 3.14Å; A193-T196 PolarHBondContact O-N 2.73Å; A194-T196 VanDerWaalsContact C-N 3.34Å; A194-T196 PolarHBondContact O-N 3.38Å; T196-C198 PolarHBondContact O-N 2.94Å; T196-G199 PolarHBondContact O-N 2.93Å
197S83.8Confident83.3Confident60 Ų6064.1 Ų64.142%0.4241%0.406SS..Hα-helixtrans-66.4-35.8176.4-58.20000112.2A193 A194 L195 G199 N200 K201A193-S197 WeakPolarHBondContact O-CB 3.47Å; A193-S197 PolarHBondContact O-N 3.21Å; A193-S197 PolarHBondContact O-OG 3.28Å; A194-S197 PolarHBondContact O-N 3.23Å; L195-S197 VanDerWaalsContact C-N 3.32Å; S197-G199 PolarHBondContact O-N 3.44Å; S197-N200 PolarHBondContact O-N 3.45Å; S197-K201 VanDerWaalsContact O-CB 3.28Å; S197-K201 WeakPolarHBondContact O-CB 3.28Å; S197-K201 PolarHBondContact O-N 2.94Å
198C82.9Confident83.5Confident0 Ų060.6 Ų60.60%039%0.387CS..Hα-helixtrans-59.2-45.1175.7-740000111.9F161 A194 L195 T196 N200 K201 V208F161-C198 WeakPolarHBondContact CZ-SG 3.35Å; A194-C198 PolarHBondContact O-N 2.6Å; A194-C198 PolarHBondContact O-SG 3.41Å; L195-C198 WeakPolarHBondContact O-CB 3.34Å; L195-C198 PolarHBondContact O-N 3.01Å; T196-C198 PolarHBondContact O-N 2.94Å; C198-N200 PolarHBondContact O-N 3.33Å; C198-N200 VanDerWaalsContact O-N 3.14Å; C198-K201 PolarHBondContact O-N 2.95Å; C198-K201 VanDerWaalsContact O-N 3.1Å; C198-V208 HydrophobicContact CB-CG1 4.24Å
199G78.5Confident83.5Confident52 Ų5265.4 Ų65.454%0.53640%0.395SS..Hα-helixtrans-60.2-26.2-175.600000114L195 T196 S197L195-G199 PolarHBondContact O-N 3.45Å; T196-G199 PolarHBondContact O-N 2.93Å; S197-G199 PolarHBondContact O-N 3.44Å
200N74.7Confident83.6Confident147 Ų14760 Ų6079%0.78637%0.37SS*.THydrogen-bonded Turntrans-102.9-1.9-178.9-63-12.2000113.2S197 C198S197-N200 PolarHBondContact O-N 3.45Å; C198-N200 PolarHBondContact O-N 3.33Å; C198-N200 VanDerWaalsContact O-N 3.14Å
201K78.4Confident83.7Confident60 Ų6067 Ų6726%0.26140%0.395SS..  trans-98.9135.5-172.3-170.1161.5-88.8-175.20111E160 S197 C198 V208E160-K201 HydrophobicContact CB-CD 4.37Å; E160-K201 PolarHBondContact O-NZ 3.21Å; E160-K201 WeakPolarHBondContact OE2-CD 3.47Å; E160-K201 WeakPolarHBondContact OE2-CE 3.4Å; E160-K201 IonicContact OE2-NZ 2.59Å; E160-K201 PolarHBondContact OE2-NZ 2.94Å; S197-K201 VanDerWaalsContact O-CB 3.28Å; S197-K201 WeakPolarHBondContact O-CB 3.28Å; S197-K201 PolarHBondContact O-N 2.94Å; C198-K201 PolarHBondContact O-N 2.95Å; C198-K201 VanDerWaalsContact O-N 3.1Å; K201-V208 WeakPolarHBondContact O-CB 3.2Å; K201-V208 WeakPolarHBondContact O-CG2 3.26Å; K201-V208 PolarHBondContact O-N 2.99Å
202M80.7Confident83.8Confident149 Ų14969.5 Ų69.573%0.73441%0.408SS*.EExtended strand (participates in β ladder)trans-110.6119.6176.5-63.5-170.1-66.300109.2R206M202-R206 WeakPolarHBondContact CA-O 3.35Å
203M79.3Confident83.6Confident14 Ų1470.3 Ų70.37%0.06941%0.406CS..EExtended strand (participates in β ladder)trans-111.3122.8173.5-77.4-161.3-158.900109.9L148 P149 E160 F161 G205 R206 V208L148-M203 HydrophobicContact CD2-CE 4.26Å; L148-M203 HydrophobicContact CD2-SD 3.69Å; P149-M203 HydrophobicContact CG-CB 4.13Å; E160-M203 HydrophobicContact CB-CE 3.56Å; E160-M203 HydrophobicContact CG-CE 3.46Å; E160-M203 VanDerWaalsContact CG-CE 3.46Å; F161-M203 HydrophobicContact CE2-CE 4.38Å; M203-G205 PolarHBondContact O-N 3.34Å; M203-R206 PolarHBondContact N-O 2.99Å; M203-R206 WeakPolarHBondContact O-CB 3.49Å; M203-R206 PolarHBondContact O-N 2.94Å; M203-V208 HydrophobicContact CB-CG2 3.84Å; M203-V208 HydrophobicContact CG-CG2 3.78Å; M203-V208 HydrophobicContact SD-CG2 4.49Å
204G75.3Confident82.6Confident71 Ų7177.6 Ų77.673%0.73242%0.421SS*.THydrogen-bonded Turntrans57.233.7-179.500000113.4R206G204-R206 VanDerWaalsContact C-N 3.27Å; G204-R206 PolarHBondContact O-N 3.29Å
205G80.4Confident81.1Confident71 Ų7183.9 Ų83.973%0.73245%0.454SS*.THydrogen-bonded Turntrans75.66.6-17600000115.1M203M203-G205 PolarHBondContact O-N 3.34Å
206R84.3Confident79Confident66 Ų6689.4 Ų89.425%0.24948%0.478CS..EExtended strand (participates in β ladder)trans-107.9133.4178-63.4174.268.1-178.81.3110.5N147 L148 M202 M203 G204 V208N147-R206 VanDerWaalsContact OD1-CZ 3.32Å; N147-R206 PolarHBondContact OD1-NE 3.34Å; N147-R206 PolarHBondContact OD1-NH2 2.66Å; L148-R206 PolarHBondContact O-NH1 3.11Å; M202-R206 WeakPolarHBondContact CA-O 3.35Å; M203-R206 PolarHBondContact N-O 2.99Å; M203-R206 WeakPolarHBondContact O-CB 3.49Å; M203-R206 PolarHBondContact O-N 2.94Å; G204-R206 VanDerWaalsContact C-N 3.27Å; G204-R206 PolarHBondContact O-N 3.29Å; R206-V208 PolarHBondContact O-N 3.41Å
207P85Confident76.8Confident74 Ų7493 Ų9348%0.48149%0.488SS..EExtended strand (participates in β ladder)trans-70.4124.1176.727.6-33.4000110.1N147N147-P207 PolarHBondContact ND2-O 3.12Å
208V88.5Confident74.6Confident3 Ų395.8 Ų95.82%0.01849%0.494CS..  trans-76.3140.7-178.6-179.10000109.8V145 L148 C198 K201 M203 R206V145-V208 HydrophobicContact CG1-CG1 3.23Å; L148-V208 HydrophobicContact CD2-CG1 4.15Å; L148-V208 HydrophobicContact CD2-CG2 4.16Å; C198-V208 HydrophobicContact CB-CG1 4.24Å; K201-V208 WeakPolarHBondContact O-CB 3.2Å; K201-V208 WeakPolarHBondContact O-CG2 3.26Å; K201-V208 PolarHBondContact O-N 2.99Å; M203-V208 HydrophobicContact CB-CG2 3.84Å; M203-V208 HydrophobicContact CG-CG2 3.78Å; M203-V208 HydrophobicContact SD-CG2 4.49Å; R206-V208 PolarHBondContact O-N 3.41Å
209R87Confident72.4Confident169 Ų169101 Ų10164%0.63853%0.531SS*.EExtended strand (participates in β ladder)trans-121.9110.9178.6-73.6-178.7178.2179.8-0.6110.3V145 S146V145-R209 CarbonylContact C-O 3.54Å; S146-R209 PolarHBondContact N-O 3.44Å; S146-R209 PolarHBondContact O-N 2.97Å; S146-R209 VanDerWaalsContact OG-CB 3.28Å; S146-R209 WeakPolarHBondContact OG-CB 3.37Å; S146-R209 PolarHBondContact OG-O 2.92Å
210G89.2Confident70.5Confident16 Ų16104.8 Ų104.817%0.16554%0.535CS..EExtended strand (participates in β ladder)trans-88.8148.8172.100000112.2T144 L195T144-G210 CarbonylContact O-C 3.55Å; T144-G210 WeakPolarHBondContact O-CA 3.45Å; L195-G210 WeakPolarHBondContact CD1-O 3.32Å
211R88.5Confident68.7Low190 Ų190102 Ų10272%0.71753%0.525SS*.EExtended strand (participates in β ladder)trans-140.5129.1164.6-70.3-167.4-175.5-101.13.1109T144 Q213T144-R211 PolarHBondContact N-O 2.91Å; T144-R211 PolarHBondContact O-N 3.29Å; R211-Q213 PolarHBondContact O-N 2.98Å
212I87.9Confident66.5Low53 Ų53103.9 Ų103.927%0.27255%0.545SS..EExtended strand (participates in β ladder)trans-70.1121.4171.9-67166.6000107.9L143 L195 R214L143-I212 HydrophobicContact CD1-CG1 4.06Å; L195-I212 HydrophobicContact CB-CD1 4.5Å; L195-I212 HydrophobicContact CB-CG1 4.47Å; L195-I212 HydrophobicContact CD2-CD1 3.77Å; L195-I212 HydrophobicContact CD2-CG1 4.01Å; I212-R214 VanDerWaalsContact C-N 3.31Å; I212-R214 HydrophobicContact CG2-CG 4.24Å; I212-R214 PolarHBondContact O-N 3.22Å; I212-R214 VanDerWaalsContact O-N 3.1Å
213Q82.1Confident64.8Low65 Ų65105.1 Ų105.130%0.30454%0.543SS..EExtended strand (participates in β ladder)trans-77.592167.8-172.9168.2-1.400105.8T142 H182 R211 D215T142-Q213 HydrophobicContact CG2-CB 4.41Å; T142-Q213 WeakPolarHBondContact O-CA 3.42Å; T142-Q213 WeakPolarHBondContact O-CB 3.23Å; T142-Q213 PolarHBondContact O-N 2.76Å; H182-Q213 PolarHBondContact ND1-OE1 3.42Å; H182-Q213 VanDerWaalsContact ND1-OE1 3.15Å; R211-Q213 PolarHBondContact O-N 2.98Å; Q213-D215 PolarHBondContact O-N 3.47Å
214R66.6Low62.9Low209 Ų209108.5 Ų108.579%0.78956%0.561SS**  trans-65.2133159.9-63.7-177.8-174.4164.61.3105.1I212 Q216I212-R214 VanDerWaalsContact C-N 3.31Å; I212-R214 HydrophobicContact CG2-CG 4.24Å; I212-R214 PolarHBondContact O-N 3.22Å; I212-R214 VanDerWaalsContact O-N 3.1Å; R214-Q216 PolarHBondContact O-N 3.2Å
215D57Low61.4Low140 Ų140108.2 Ų108.275%0.74954%0.543SS*.  trans-54.797.7157.5-61.7-45.2000104.8Q213 E217Q213-D215 PolarHBondContact O-N 3.47Å; D215-E217 PolarHBondContact O-N 3.04Å
216Q43.2Very low59.8Low171 Ų171112.2 Ų112.280%0.79954%0.543SS*.  trans-59.297.5148.8-70.6-174.139.400101R214 H218R214-Q216 PolarHBondContact O-N 3.2Å; Q216-H218 PolarHBondContact O-N 3.33Å
217E40.2Very low58.2Low173 Ų173118.3 Ų118.381%0.80857%0.566SS**  trans-31113.8141-94.9-174.2124.800103D215 S219D215-E217 PolarHBondContact O-N 3.04Å; E217-S219 PolarHBondContact O-N 3.49Å
218H37.9Very low56.5Low118 Ų118117.7 Ų117.755%0.54656%0.563SS.*  trans-52.794.6163.3-74.2-44.1000103.8Q216 Q220Q216-H218 PolarHBondContact O-N 3.33Å; H218-Q220 VanDerWaalsContact CA-N 3.33Å; H218-Q220 HydrophobicContact CB-CG 4Å; H218-Q220 PolarHBondContact O-N 3.05Å
219S35.7Very low54.4Low111 Ų111125.4 Ų125.478%0.77659%0.593SS**  -47.668.3116.7-60.20000105.7E217 P221E217-S219 PolarHBondContact O-N 3.49Å; S219-P221 VanDerWaalsContact C-N 3.27Å; S219-P221 VanDerWaalsContact O-CD 3.25Å; S219-P221 WeakPolarHBondContact O-CD 3.48Å
220Q37.8Very low52.6Low131 Ų131121.9 Ų121.961%0.61259%0.587SS**  -28.3113124.2-66.3-79.6-12.200101.9H218 S222H218-Q220 VanDerWaalsContact CA-N 3.33Å; H218-Q220 HydrophobicContact CB-CG 4Å; H218-Q220 PolarHBondContact O-N 3.05Å; Q220-S222 PolarHBondContact O-N 3.32Å
221P36.9Very low50.6Low87 Ų87130.4 Ų130.457%0.56561%0.614SS**  trans-49.3107.4141.3-2.617.6000100.1S219 Y223S219-P221 VanDerWaalsContact C-N 3.27Å; S219-P221 VanDerWaalsContact O-CD 3.25Å; S219-P221 WeakPolarHBondContact O-CD 3.48Å; P221-Y223 HydrophobicContact CB-CD2 4.4Å; P221-Y223 HydrophobicContact CB-CE2 4.42Å; P221-Y223 HydrophobicContact CG-CE2 4.19Å; P221-Y223 PolarHBondContact O-N 3.43Å
222S34Very low48.8Very low100 Ų100126 Ų12670%0.69961%0.605SS**  trans-54.197.8167.6-176.40000100.2Q220 N224Q220-S222 PolarHBondContact O-N 3.32Å; S222-N224 PolarHBondContact O-N 2.71Å
223Y43.4Very low47Very low175 Ų175130.6 Ų130.669%0.68663%0.625SS**  trans-67.281.8166.2-89.3-81.100099P221 N225P221-Y223 HydrophobicContact CB-CD2 4.4Å; P221-Y223 HydrophobicContact CB-CE2 4.42Å; P221-Y223 HydrophobicContact CG-CE2 4.19Å; P221-Y223 PolarHBondContact O-N 3.43Å; Y223-N225 PolarHBondContact O-N 3.4Å
224N40.8Very low45.5Very low85 Ų85135.9 Ų135.946%0.45564%0.643SS.*  trans-67.164.7159.2-163.3-0.6000103.5S222 Q226 R227S222-N224 PolarHBondContact O-N 2.71Å; N224-Q226 PolarHBondContact O-N 3.3Å; N224-R227 PolarHBondContact O-N 3.35Å
225N42.9Very low44.6Very low66 Ų66131.5 Ų131.535%0.35363%0.631SS.*THydrogen-bonded Turntrans-71.1-2.8176.1-114.5-12.5000109.2Y223 R227 Y229Y223-N225 PolarHBondContact O-N 3.4Å; N225-R227 PolarHBondContact O-N 3.45Å; N225-Y229 HydrophobicContact CB-CE2 4.28Å; N225-Y229 WeakPolarHBondContact O-CD2 3.3Å
226Q47.6Very low44.2Very low155 Ų155133.4 Ų133.472%0.72463%0.629SS**THydrogen-bonded Turntrans-70-15.3162.1-61.5-1743.500113N224 N230N224-Q226 PolarHBondContact O-N 3.3Å; Q226-N230 PolarHBondContact O-ND2 2.84Å
227R49.4Very low44.6Very low193 Ų193127.4 Ų127.473%0.72861%0.613SS**THydrogen-bonded Turntrans-88.9-22.7172.5-90.5-176.6174.1-177.7-0.1114.8N224 N225 R231N224-R227 PolarHBondContact O-N 3.35Å; N225-R227 PolarHBondContact O-N 3.45Å; R227-R231 PolarHBondContact O-N 3.32Å
228S49Very low45.2Very low61 Ų61123.5 Ų123.543%0.42760%0.595SS.*THydrogen-bonded Turntrans-84.6-40179.9-66.20000112.4N230 R231S228-N230 PolarHBondContact O-N 3.02Å; S228-R231 PolarHBondContact O-N 3.26Å; S228-R231 VanDerWaalsContact O-N 3.09Å
229Y45.4Very low45.8Very low166 Ų166125.6 Ų125.665%0.65160%0.598SS**Hα-helixtrans-71.2-15174.8-59.1-66.1000114.3N225N225-Y229 HydrophobicContact CB-CE2 4.28Å; N225-Y229 WeakPolarHBondContact O-CD2 3.3Å
230N48.5Very low46.4Very low95 Ų95126 Ų12651%0.50859%0.591SS.*Hα-helixtrans-92.4-12.1171.6-83.3-65.8000113.8Q226 S228Q226-N230 PolarHBondContact O-ND2 2.84Å; S228-N230 PolarHBondContact O-N 3.02Å
231R48.1Very low47Very low195 Ų195126.2 Ų126.274%0.73659%0.592SS**Hα-helixtrans-81.8-40178.3-153.8172.5-147178.54.4111.1R227 S228 R234 E235R227-R231 PolarHBondContact O-N 3.32Å; S228-R231 PolarHBondContact O-N 3.26Å; S228-R231 VanDerWaalsContact O-N 3.09Å; R231-R234 PolarHBondContact O-N 3.27Å; R231-E235 PolarHBondContact O-N 3.35Å
232D50.2Low47.7Very low96 Ų96129.2 Ų129.251%0.51359%0.592SS.*Hα-helixtrans-72.7-30.4178.8-66-62.7000113.2R234 E235 Y236D232-R234 VanDerWaalsContact C-N 3.35Å; D232-E235 PolarHBondContact O-N 2.81Å; D232-Y236 PolarHBondContact O-N 3.07Å
233Q51.3Low48.4Very low150 Ų150129.6 Ų129.670%0.70158%0.583SS**Hα-helixtrans-71.5-28172.4-74-165.416.100113.2E235 G237Q233-E235 VanDerWaalsContact C-N 3.32Å; Q233-G237 PolarHBondContact O-N 3.23Å
234R50.6Low48.5Very low177 Ų177130.2 Ų130.267%0.66859%0.585SS**Hα-helixtrans-72.7-27.5173.5-76.5-176.2-173.1-1732.5112.3R231 D232 Q238R231-R234 PolarHBondContact O-N 3.27Å; D232-R234 VanDerWaalsContact C-N 3.35Å; R234-Q238 VanDerWaalsContact O-CB 3.22Å; R234-Q238 WeakPolarHBondContact O-CB 3.35Å; R234-Q238 VanDerWaalsContact O-CG 3.26Å; R234-Q238 WeakPolarHBondContact O-CG 3.48Å; R234-Q238 PolarHBondContact O-N 3.45Å; R234-Q238 VanDerWaalsContact O-N 3.08Å
235E47.5Very low49Very low116 Ų116130.8 Ų130.854%0.54259%0.588SS.*Hα-helixtrans-82.2-33.3-178.8-164.8156-178.900112.7R231 D232 Q233R231-E235 PolarHBondContact O-N 3.35Å; D232-E235 PolarHBondContact O-N 2.81Å; Q233-E235 VanDerWaalsContact C-N 3.32Å
236Y48.3Very low49.4Very low181 Ų181133.7 Ų133.771%0.7160%0.6SS**Hα-helixtrans-82.3-23.2171.4-82.1-87.7000114D232D232-Y236 PolarHBondContact O-N 3.07Å
237G50.2Low49.6Very low45 Ų45135.3 Ų135.346%0.46460%0.599SS.*Hα-helixtrans-81.8-28.7172.800000114.9Q233Q233-G237 PolarHBondContact O-N 3.23Å
238Q52.8Low49.5Very low90 Ų90131.5 Ų131.542%0.42159%0.594SS.*Hα-helixtrans-88.4-21-178.8-75.4-17454.100114.4R234 N240 Q241 R242R234-Q238 VanDerWaalsContact O-CB 3.22Å; R234-Q238 WeakPolarHBondContact O-CB 3.35Å; R234-Q238 VanDerWaalsContact O-CG 3.26Å; R234-Q238 WeakPolarHBondContact O-CG 3.48Å; R234-Q238 PolarHBondContact O-N 3.45Å; R234-Q238 VanDerWaalsContact O-N 3.08Å; Q238-N240 VanDerWaalsContact C-N 3.27Å; Q238-N240 PolarHBondContact O-N 3.45Å; Q238-Q241 PolarHBondContact O-N 3.07Å; Q238-R242 WeakPolarHBondContact O-CG 3.43Å; Q238-R242 PolarHBondContact O-N 3.16Å
239R51.2Low49.6Very low162 Ų162136 Ų13661%0.61161%0.606SS**Hα-helixtrans-60.3-38.7175.9-96.3-178176.1-176.90.2112.1Q241 R242 E243R239-Q241 PolarHBondContact O-N 3.42Å; R239-R242 PolarHBondContact O-N 2.95Å; R239-E243 PolarHBondContact O-N 2.89Å; R239-E243 VanDerWaalsContact O-N 3.13Å
240N49.5Very low49.7Very low119 Ų119135 Ų13564%0.63661%0.612SS**Hα-helixtrans-75.4-18.8177.3-81.5-39.4000114.7Q238Q238-N240 VanDerWaalsContact C-N 3.27Å; Q238-N240 PolarHBondContact O-N 3.45Å
241Q49.3Very low49.6Very low136 Ų136137.8 Ų137.864%0.63663%0.627SS**Hα-helixtrans-88-27.5170.2-70.9-173.714.900112.7Q238 R239 Y244 N245Q238-Q241 PolarHBondContact O-N 3.07Å; R239-Q241 PolarHBondContact O-N 3.42Å; Q241-Y244 PolarHBondContact O-N 3.25Å; Q241-N245 WeakPolarHBondContact O-CB 3.33Å; Q241-N245 PolarHBondContact O-N 3.11Å; Q241-N245 VanDerWaalsContact O-N 3.07Å
242R51.2Low49.6Very low151 Ų151139.3 Ų139.357%0.5763%0.632SS**Hα-helixtrans-69.6-34.9173.5-76.1-176.9-176.7-179.52.9111.9Q238 R239 Y244 N245 Q246Q238-R242 WeakPolarHBondContact O-CG 3.43Å; Q238-R242 PolarHBondContact O-N 3.16Å; R239-R242 PolarHBondContact O-N 2.95Å; R242-Y244 VanDerWaalsContact C-N 3.33Å; R242-Y244 PolarHBondContact O-N 3Å; R242-N245 PolarHBondContact O-N 2.59Å; R242-Q246 VanDerWaalsContact O-CB 3.29Å; R242-Q246 WeakPolarHBondContact O-CB 3.23Å; R242-Q246 VanDerWaalsContact O-CG 3.25Å; R242-Q246 WeakPolarHBondContact O-CG 3.43Å; R242-Q246 PolarHBondContact O-N 2.91Å
243E48.5Very low49.2Very low108 Ų108142 Ų14251%0.50565%0.647SS.*Hα-helixtrans-70.9-28175.8-119.4175.7150.800113.4R239R239-E243 PolarHBondContact O-N 2.89Å; R239-E243 VanDerWaalsContact O-N 3.13Å
244Y46.9Very low49Very low187 Ų187144 Ų14473%0.73366%0.655SS**Hα-helixtrans-80.4-31174.1-131-91.3000113.1Q241 R242Q241-Y244 PolarHBondContact O-N 3.25Å; R242-Y244 VanDerWaalsContact C-N 3.33Å; R242-Y244 PolarHBondContact O-N 3Å
245N49.9Very low48.6Very low97 Ų97141.4 Ų141.452%0.51966%0.659SS.*Hα-helixtrans-83.9-32.1177.8-79.2-32.3000113.1Q241 R242 R247 N248 F249Q241-N245 WeakPolarHBondContact O-CB 3.33Å; Q241-N245 PolarHBondContact O-N 3.11Å; Q241-N245 VanDerWaalsContact O-N 3.07Å; R242-N245 PolarHBondContact O-N 2.59Å; N245-R247 VanDerWaalsContact C-N 3.3Å; N245-R247 PolarHBondContact O-N 2.72Å; N245-N248 PolarHBondContact O-N 2.91Å; N245-F249 HydrophobicContact CB-CE2 4.43Å; N245-F249 WeakPolarHBondContact O-CD2 3.46Å
246Q51.7Low48.3Very low127 Ų127143.7 Ų143.759%0.59368%0.676SS**Hα-helixtrans-71.1-23.5178.2-74.4174.133.600113.6R242 N248R242-Q246 VanDerWaalsContact O-CB 3.29Å; R242-Q246 WeakPolarHBondContact O-CB 3.23Å; R242-Q246 VanDerWaalsContact O-CG 3.25Å; R242-Q246 WeakPolarHBondContact O-CG 3.43Å; R242-Q246 PolarHBondContact O-N 2.91Å; Q246-N248 PolarHBondContact O-N 3.48Å
247R51.7Low47.9Very low189 Ų189143.7 Ų143.771%0.71368%0.682SS**THydrogen-bonded Turntrans-74.2-10.3176.6-72.8-176.4-176.7-176.44.6114.4N245N245-R247 VanDerWaalsContact C-N 3.3Å; N245-R247 PolarHBondContact O-N 2.72Å
248N47.3Very low47.4Very low114 Ų114153.3 Ų153.361%0.6170%0.704SS**THydrogen-bonded Turntrans-114.60.4179.5-75.7-40.4000115.1N245 Q246 N250N245-N248 PolarHBondContact O-N 2.91Å; Q246-N248 PolarHBondContact O-N 3.48Å; N248-N250 VanDerWaalsContact C-N 3.33Å
249F50.7Low47Very low156 Ų156156.8 Ų156.868%0.68472%0.721SS**G310 helixtrans-80.6-10.4174.6-83.6-75.2000114.3N245 N251N245-F249 HydrophobicContact CB-CE2 4.43Å; N245-F249 WeakPolarHBondContact O-CD2 3.46Å; F249-N251 VanDerWaalsContact C-N 3.33Å; F249-N251 PolarHBondContact O-N 3.23Å
250N47.9Very low46.5Very low145 Ų145157 Ų15778%0.77573%0.734SS**G310 helixtrans-87.813.4-179.8-70.8-21.7000115.2N248N248-N250 VanDerWaalsContact C-N 3.33Å
251N47.4Very low46.1Very low153 Ų153154.7 Ų154.782%0.81874%0.738SS**G310 helixtrans-127.116.6-179.8-90.7-29.5000114.8F249F249-N251 VanDerWaalsContact C-N 3.33Å; F249-N251 PolarHBondContact O-N 3.23Å
252R48.4Very low45.7Very low227 Ų227155.1 Ų155.186%0.85775%0.745SS**  trans-114.89.6-179.1-116.2-179.4-160.81555.7116.2H254R252-H254 PolarHBondContact O-N 2.77Å
253D41.3Very low45.3Very low153 Ų153155.9 Ų155.982%0.81876%0.755SS**  trans-100.251.8-173.5-129.6-34000113.1
254H46.5Very low45Very low190 Ų190161.9 Ų161.988%0.8877%0.773SS**SBendtrans-140.832.2174.3-76.2-24.9000114.1R252R252-H254 PolarHBondContact O-N 2.77Å
255T43Very low44.8Very low123 Ų123161 Ų16176%0.75578%0.781SS**  trans-152.378.3166.257.30000111
256N41.2Very low44.4Very low165 Ų165159.4 Ų159.488%0.88279%0.787SS**  trans-140.3101.3147.4-97-35.6000108.4R258N256-R258 PolarHBondContact O-N 2.65Å; N256-R258 VanDerWaalsContact O-N 3.14Å
257Q38.7Very low43.7Very low180 Ų180160.3 Ų160.384%0.84180%0.796SS**  trans-49.5112.7165.6-66.9164.34.900108.3
258R40.1Very low43.2Very low248 Ų248157.9 Ų157.994%0.93679%0.793SS**  trans-9698.1150.9-92-173.2172.9-177-1.1106.8N256 N260N256-R258 PolarHBondContact O-N 2.65Å; N256-R258 VanDerWaalsContact O-N 3.14Å; R258-N260 PolarHBondContact O-N 3.17Å
259E44.7Very low43Very low163 Ų163162.7 Ų162.776%0.76280%0.803SS**  trans-56.9119.5158.6-64.9175.1138.800109.1
260N40.6Very low42.6Very low166 Ų166162.6 Ų162.689%0.88880%0.804SS**  trans157.596.7136.6-90.7-66.4000108.7R258R258-N260 PolarHBondContact O-N 3.17Å
261G41Very low42.2Very low71 Ų71164.9 Ų164.973%0.73280%0.803SS**  trans17765.7179.300000112.7
262N40.9Very low41.8Very low144 Ų144162.8 Ų162.877%0.7779%0.792SS**  trans57.6132.3140.2-82.1-25.6000121.1
263Q43.2Very low41.5Very low167 Ų167159.1 Ų159.178%0.7879%0.785SS**  trans87.396.8152.7-59.8156.540.900114.2
264R41.2Very low41.5Very low234 Ų234162.3 Ų162.388%0.88379%0.785SS**  78.7140.584.8-92.8-172176.1-178-1111.8
265D43.5Very low41.2Very low169 Ų169160.4 Ų160.490%0.90478%0.782SS**  trans86.4112.6-176.6-49.8-40.6000112.6
266G41Very low41Very low63 Ų63165.6 Ų165.665%0.64979%0.789SS**  cis146.6136.813.800000106.5
267N37.4Very low41Very low147 Ų147163.3 Ų163.379%0.78679%0.786SS**  trans73.3139175.8-62.1-46.3000116.1
268Q40.9Very low41.1Very low138 Ų138157.5 Ų157.565%0.64577%0.774SS**  cis-176.8154.80.4-114.4171.643.500106.2
269R44.3Very low41Very low215 Ų215153 Ų15381%0.81176%0.764SS**  trans80.5141.9161.9-60.8162.2-166.3-167.61.7118.3
270E41.5Very low40.6Very low153 Ų153154.2 Ų154.272%0.71576%0.761SS**  cis-177.7121.3-22.9-149.9159.4-179.400103.8
271Y39.2Very low40.5Very low193 Ų193150.8 Ų150.876%0.75774%0.743SS**  trans50.3136.4147-66.7-112.1000119
272N39.2Very low40.4Very low110 Ų110156.6 Ų156.659%0.58874%0.744SS**  cis-175.5144.629.5-117.1-30.3000107.5
273Q42.5Very low40.4Very low150 Ų150157.4 Ų157.470%0.70175%0.748SS**  trans43.9141.8134.7-60.4177.259.300120.8
274R40.1Very low40.4Very low219 Ų219159.5 Ų159.583%0.82675%0.749SS**  cis-177.8130.1-16.3-118174.9-172.3172.11.3104.5
275D40.1Very low40.5Very low151 Ų151156.2 Ų156.281%0.80774%0.744SS**  trans18.5118157.2-57.7-63.2000123.6
276Y40Very low40.3Very low232 Ų232151.4 Ų151.491%0.9173%0.734SS**  trans-19.7125.1153.1-89.1-101.7000119.5
277S41.6Very low40.4Very low117 Ų117159 Ų15982%0.81874%0.743SS**  trans-130.9148.8151.1730000108.6
278G40.7Very low40.7Very low57 Ų57157.9 Ų157.959%0.58873%0.733SS**  trans93.9110.5162.400000113.4
279Q36.8Very low40.8Very low155 Ų155159 Ų15972%0.72474%0.736SS**  88.2129.586.1-87.3-175.827.500111.4
280R37.3Very low40.8Very low187 Ų187153.8 Ų153.871%0.70673%0.725SS**  trans82.2109.7136.2-81.4-169.4-128.7-151.51.9118.4
281D38.3Very low40.9Very low94 Ų94156 Ų15650%0.50373%0.727SS.*  109.9144.3107.1-75-29.5000119.4
282Y38.4Very low41.1Very low194 Ų194153.1 Ų153.176%0.76173%0.726SS**  trans74.194.5152.4-51.1-49000119.3
283N40.5Very low41.2Very low160 Ų160153 Ų15386%0.85673%0.734SS**  15.8127.6103.2-139.53.4000114.6
284R43.2Very low41.1Very low212 Ų212149.4 Ų149.480%0.874%0.736SS**  trans155.4129.8137.7177.8172.9-103.4-141.80.9113.3
285Q44.4Very low41Very low165 Ų165151.4 Ų151.477%0.77174%0.744SS**  trans83.2106.6153.2-76.3159.324.600119.4
286G39Very low41Very low67 Ų67147.4 Ų147.469%0.69174%0.738SS**  145.693.4112.100000117.6
287R42.6Very low41.3Very low224 Ų224143.4 Ų143.485%0.84573%0.728SS**  trans69.5134.4135.7-60.2-146.6-95.9-167.6-3.5116.7
288Q43.5Very low41.5Very low123 Ų123147.3 Ų147.358%0.57572%0.724SS**  cis-177.8145.225.5-127.5169.5-16.100110.4
289F44.7Very low41.5Very low160 Ų160151.5 Ų151.570%0.70273%0.733SS**  trans69.6144154.9-49.7-62.2000121.3
290D42.5Very low42Very low107 Ų107150.6 Ų150.657%0.57274%0.738SS**  cis177.5143.8-36.3-113.7-41.9000108.3
291Y43.7Very low42.4Very low198 Ų198148.9 Ų148.978%0.77674%0.743SS**  trans57.5143.6159.6-58.8-70.2000120.2
292N44.2Very low42.3Very low134 Ų134155.2 Ų155.272%0.71776%0.76SS**  cis-163.5119.720.6-148.910.8000107.9
293S40.9Very low42.6Very low108 Ų108155.1 Ų155.176%0.75576%0.764SS**  59.812091.6-29.50000117.6
294G41.1Very low42.8Very low74 Ų74155.8 Ų155.876%0.76376%0.762SS**  trans147.477.2159.700000113.2
295R38.3Very low42.6Very low261 Ų261149.5 Ų149.599%0.98576%0.763SS**  58127.388.4-84.1-157.7-170.8-167.65.8116
296G40.3Very low42.6Very low66 Ų66146.5 Ų146.568%0.6877%0.766SS**  trans148.671.3167.900000111.3
297E44.9Very low42.9Very low148 Ų148149.3 Ų149.369%0.69277%0.772SS**  84.3115.890.3-73.5-169.612600115.6
298R46.3Very low43.1Very low199 Ų199143.4 Ų143.475%0.75177%0.771SS**  trans61.1130.7140.8-58.6-175.4-113-179.30.8117.7
299D41.2Very low43Very low145 Ų145145.7 Ų145.778%0.77579%0.787SS**  cis-151.9140.340.4-83.9-65.3000112.4
300V46.9Very low42.9Very low136 Ų136149.5 Ų149.582%0.82480%0.797SS**  trans-103.3102.8167.3-92.50000108
301N46.1Very low42.7Very low151 Ų151148.3 Ų148.381%0.80781%0.81SS**  trans-105.283.8160-94.1-21.2000109.5F303N301-F303 PolarHBondContact O-N 2.84Å
302R35.7Very low42.4Very low227 Ų227142.6 Ų142.686%0.85781%0.811SS**  trans-76.694.4159.4172.2177.8-81-175.4-5.9106.9
303F45.1Very low42.4Very low193 Ų193141.8 Ų141.885%0.84682%0.816SS**  trans-78.2122.1166.9-120.3-94.6000109.5N301N301-F303 PolarHBondContact O-N 2.84Å
304Q44.3Very low42.6Very low174 Ų174148.4 Ų148.481%0.81382%0.824SS**  trans-75.1152.6173.2-65.9173.514.100110.4
305G39.1Very low42.6Very low79 Ų79153.1 Ų153.181%0.81483%0.827SS**  trans97.896.4141.800000116.4
306A45Very low42.8Very low102 Ų102151 Ų15184%0.84383%0.825SS**  163.3117.1119.100000110.7
307P45.5Very low42.7Very low127 Ų127151.4 Ų151.483%0.82583%0.829SS**  trans-108.9123.9159.533.7-21.6000109.7
308A45.2Very low42.5Very low99 Ų99155.8 Ų155.882%0.81884%0.84SS**  trans164.5106.8146.700000109
309N42.5Very low42.3Very low171 Ų171153.8 Ų153.891%0.91484%0.844SS**  trans-139.4127139-143.8-8.8000110
310R42.2Very low42.4Very low241 Ų241153.3 Ų153.391%0.90984%0.841SS**  trans-117.8127.6-166.4-175.9-168.9-148.3-176.77105.2
311G37.9Very low42Very low82 Ų82156.8 Ų156.885%0.84584%0.84SS**  trans131.5120.5164.100000113.6
312G38.9Very low41.9Very low78 Ų78158.6 Ų158.680%0.80484%0.841SS**  trans154.664.6170.400000113.4
313S43.9Very low42.1Very low117 Ų117155.5 Ų155.582%0.81884%0.836SS**  trans-54.2137.4169-490000111.6
314R44.2Very low42Very low246 Ų246156.6 Ų156.693%0.92883%0.834SS**  trans-164.4108.6145.4-99.8155.3-159.2-170.36.1108.8
315E40.5Very low41.9Very low173 Ų173154.1 Ų154.181%0.80883%0.831SS**  trans-54.2149166.4-68.6159.1126.200110.9
316F43.7Very low42Very low216 Ų216157.5 Ų157.595%0.94783%0.831SS**  -178.4124.9123.4-88.2-63.2000110.1
317G38.3Very low42.2Very low75 Ų75160.3 Ų160.377%0.77383%0.826SS**  trans87.877.8141.300000118.5
318R40.2Very low42.1Very low241 Ų241164.4 Ų164.491%0.90983%0.825SS**  trans-78.9130145.4-69.5-176.3-174.2-178.42.4107.8
319N42.2Very low42.1Very low157 Ų157170.4 Ų170.484%0.8483%0.827SS**  trans-134.5107156.9-81.4-24.4000108.7
320D43.2Very low42.2Very low135 Ų135169.7 Ų169.772%0.72282%0.823SS**  trans16.1113.7144-60.3-83.7000121.6
321R38.4Very low42.4Very low209 Ų209169.8 Ų169.879%0.78982%0.823SS**  33.8106.6108.6-159.9-175.9-142.51675.7117.6
322F43.3Very low42.7Very low189 Ų189171.5 Ų171.583%0.82982%0.823SS**  trans-143104.5143.7-100.1-84.9000110.5
323E40.3Very low43.7Very low161 Ų161174 Ų17475%0.75283%0.825SS**  trans-64.9136.9150.6-77.5167.8111.800108.4
324R42.8Very low43.8Very low216 Ų216172.8 Ų172.882%0.81582%0.821SS**  trans-171.7112.6143.5-103.5158.7-158.5-125.16.4112.1
325T42.9Very low44Very low123 Ų123173 Ų17376%0.75582%0.823SS**  trans70.6106.4138.538.10000120
326D41.8Very low44.3Very low150 Ų150168.2 Ų168.280%0.80282%0.819SS**  trans-29.3132.2135.2-70.2-87.1000113.6
327Q48.9Very low44.4Very low160 Ų160167.3 Ų167.375%0.74882%0.818SS**  trans177.5137.7134.3-99.7170.659.200110.4
328R42.8Very low44.9Very low213 Ų213169 Ų16980%0.80482%0.815SS**  trans86.8132.8160.9-44-163.8-179.5-158.3-1.8115.7
329R46Very low45.3Very low226 Ų226164.1 Ų164.185%0.85381%0.812SS**  cis-175.9135.8-17-125.7177.6-171.2-173.42103.5
330D44.8Very low45.5Very low156 Ų156168 Ų16883%0.83482%0.815SS**  trans-49.7138.1166.4-58.6-88000113
331R45.2Very low45.5Very low242 Ų242164.3 Ų164.391%0.91381%0.809SS**  trans-177.7109.5137.8-105.5168.8-170173.82.4111.4
332S45.2Very low46.2Very low119 Ų119165.2 Ų165.283%0.83281%0.814SS**PPolyproline II helixtrans-75.7142.3154.4-47.30000109.6
333P58.6Low46.5Very low130 Ų130159.7 Ų159.784%0.84481%0.81SS**PPolyproline II helixtrans-94129.9162.62.716.4000110.8
334A47.1Very low47Very low91 Ų91157.9 Ų157.975%0.75282%0.816SS**PPolyproline II helixtrans-83.1152.9170.400000111.8
335R47.6Very low47.7Very low252 Ų252153.2 Ų153.295%0.95182%0.816SS**  trans35.2125.8144.9-78.5-175.5172.6-179.1-2120.5
336G48Very low48.4Very low72 Ų72157.2 Ų157.274%0.74282%0.823SS**  trans102.2108.1131.100000115.4
337E44.8Very low49.3Very low197 Ų197153.1 Ų153.192%0.92182%0.816SS**  176.7153.6113.7-92.1-161.2132.200111.3
338P48.7Very low50.1Low109 Ų109151.6 Ų151.671%0.70882%0.82SS**  trans-102.9159.2-169.236.5-25.8000114.8
339V49.2Very low50.6Low139 Ų139152.9 Ų152.984%0.84283%0.825SS**  trans50.2113.3148.1-1750000119.2
340R45.8Very low51.2Low238 Ų238150.1 Ų150.190%0.89883%0.825SS**  trans-145.7115.1139.8-104.6-176.7-173.9-178.82.5109.8
341G43.7Very low51.8Low59 Ų59147.9 Ų147.961%0.60882%0.817SS**  trans-90.5139.2167.600000110.9
342Y53.3Low52.2Low228 Ų228141.6 Ų141.689%0.89481%0.81SS**  trans-168.6138.4155.9-71.7-75.6000103.5
343G48.6Very low52.7Low72 Ų72140.8 Ų140.874%0.74281%0.811SS**  cis-171.1165.910.300000108.3
344S51.4Low53Low124 Ų124139.8 Ų139.887%0.86780%0.802SS**  trans-55.5137178.3-51.20000113.4
345S57.3Low53.8Low118 Ų118142.6 Ų142.683%0.82580%0.803SS**  trans-130.5109.9151.861.20000109.3
346K58.5Low54.6Low207 Ų207138.6 Ų138.690%0.980%0.795SS**PPolyproline II helixtrans-62.6124.9171.9-64.6174.3175.6175.90109.3
347G59.3Low55.4Low64 Ų64145.9 Ų145.966%0.6680%0.8SS**PPolyproline II helixtrans-97.8146.6162.500000110.4
348P65.8Low56.5Low127 Ų127142.7 Ų142.783%0.82580%0.796SS**PPolyproline II helixtrans-72.8140.9-167.3-2.818.3000112.5
349R53.8Low56.7Low240 Ų240141 Ų14191%0.90680%0.798SS**PPolyproline II helixtrans-76121.4161.8-68.7-176.7169.1178-4108.2
350I58Low56.7Low168 Ų168142.4 Ų142.486%0.86280%0.801SS**PPolyproline II helixtrans-89.2116.5166.2-60.6176.6000107.3
351T57.5Low57.2Low110 Ų110135.4 Ų135.468%0.67579%0.794SS**PPolyproline II helixtrans-83.2141.2175.743.50000111
352S55.1Low57.9Low109 Ų109137.9 Ų137.976%0.76280%0.802SS**  trans53104.4149.655.20000118.8
353A55.1Low58.6Low102 Ų102133 Ų13384%0.84380%0.798SS**  trans-99.6116.4152.200000108.9
354V64.9Low59Low109 Ų109134.1 Ų134.166%0.66180%0.795SS**  trans-73.7124.8174168.60000108.9H356V354-H356 PolarHBondContact O-N 3.47Å
355I63.8Low58.9Low150 Ų150136.9 Ų136.977%0.76979%0.794SS**  trans-84.9105169.9-59.9173.3000107.3R357I355-R357 HydrophobicContact CG2-CG 4.46Å
356H63.4Low58.8Low169 Ų169137 Ų13778%0.78280%0.795SS**  trans-80.4113.7163.8-79.5-89.7000109V354V354-H356 PolarHBondContact O-N 3.47Å
357R66Low58.5Low225 Ų225133.2 Ų133.285%0.84980%0.795SS**PPolyproline II helixtrans-86.5129.7159.9-72.8-177.9171.2-176.1-3108.1I355I355-R357 HydrophobicContact CG2-CG 4.46Å
358P68Low58.7Low130 Ų130135.3 Ų135.384%0.84480%0.799SS**PPolyproline II helixtrans-68.3137.7172.927.5-30.5000110
359G51.9Low58.4Low72 Ų72134.4 Ų134.474%0.74280%0.796SS**PPolyproline II helixtrans-70.3152.5-166.500000115
360N50.2Low59.3Low169 Ų169130.7 Ų130.790%0.90479%0.794SS**PPolyproline II helixtrans-66.3117.7162-146.214.8000107.7
361A54.8Low59.8Low91 Ų91132 Ų13275%0.75280%0.796SS**  trans-127.299.317300000108.8
362S59.3Low60.1Low111 Ų111138.1 Ų138.178%0.77683%0.825SS**PPolyproline II helixtrans-76.9134.9159.4-54.40000108.7
363P69Low60.3Low125 Ų125139.6 Ų139.681%0.81283%0.828SS**PPolyproline II helixtrans-99.3119.9157.220.1-4.4000109.8
364S55.4Low60.6Low96 Ų96141.6 Ų141.667%0.67183%0.827SS**PPolyproline II helixtrans-66.6141162420000111.4
365E49.8Very low60.4Low182 Ų182143.4 Ų143.485%0.8584%0.837SS**  trans63.1112.9134.8-58.7179.7138.400120
366S54.6Low60.2Low122 Ų122143 Ų14385%0.85384%0.841SS**  -174.6114.5122.550.90000111.2
367S52Low60Low127 Ų127141.4 Ų141.489%0.88884%0.844SS**  trans-63.9139.9160.9-69.70000111.2
368S63.9Low59.6Low108 Ų108135.8 Ų135.876%0.75584%0.844SS**  trans-153.2111.2143.967.80000109.8
369S60.9Low59Low108 Ų108136.2 Ų136.276%0.75584%0.844SS**  trans-72.9135.1160.843.30000109.9
370D72.1Confident59.5Low161 Ų161141.2 Ų141.286%0.86185%0.852SS**  trans-137.3121.3156-90.3-65.7000108.2
371E67.4Low60.3Low195 Ų195138.8 Ų138.891%0.91185%0.847SS**  trans-86.3135.1167.3-69.1177102.300108.6
372D64.3Low60.8Low240 Ų240143.2 Ų143.2100%1.28386%0.856SS**  trans-159.10130.1-154-104.9000109.2

Retrieved 372 of 372 residues in 469.7 ms (Link to these results)