A0A077ZF33_TRITR Loading...

Sec protein like retinal binding protein

AlphaFold DB , UniProt , Accession A0A077ZF33, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 336 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M25.8Very low36.1Very low236 Ų236107.5 Ų107.5100%1.16358%0.575SS**  0108.60-89.1174.9-178.100106.9L3M1-L3 PolarHBondContact O-N 3.18Å
2G32.1Very low36.6Very low80 Ų8099.6 Ų99.683%0.82553%0.533SS*.  trans-60.6117.9171.400000108D4G2-D4 PolarHBondContact O-N 3.22Å
3L36Very low37.7Very low122 Ų12298.7 Ų98.764%0.63953%0.528SS*.  trans-65.3119.5178.1-79.5157.9000107.8M1 S5M1-L3 PolarHBondContact O-N 3.18Å; L3-S5 VanDerWaalsContact C-N 3.33Å; L3-S5 PolarHBondContact O-N 3.35Å
4D38.1Very low38.9Very low79 Ų79102.6 Ų102.642%0.42254%0.542SS..  trans-68.789.9177.5-171.15.3000108.3G2 E6 K7 F8G2-D4 PolarHBondContact O-N 3.22Å; D4-E6 PolarHBondContact O-N 2.93Å; D4-E6 VanDerWaalsContact O-N 3.11Å; D4-E6 WeakPolarHBondContact OD1-CB 3.19Å; D4-K7 HydrophobicContact CB-CB 4.2Å; D4-K7 PolarHBondContact O-N 2.81Å; D4-F8 PolarHBondContact O-N 2.74Å
5S40Very low40.1Very low66 Ų66101.3 Ų101.346%0.46253%0.531SS..Hα-helixtrans-50.6-32.617751.40000110.8L3 F8 M9L3-S5 VanDerWaalsContact C-N 3.33Å; L3-S5 PolarHBondContact O-N 3.35Å; S5-F8 PolarHBondContact O-N 2.77Å; S5-M9 WeakPolarHBondContact O-CB 3.45Å; S5-M9 WeakPolarHBondContact O-CG 3.23Å; S5-M9 PolarHBondContact O-N 3.37Å
6E36.7Very low41.2Very low128 Ų12895.3 Ų95.360%0.59850%0.499SS*.Hα-helixtrans-61.1-43.5176.6-142175.1-17300112.4D4 M9 N10D4-E6 PolarHBondContact O-N 2.93Å; D4-E6 VanDerWaalsContact O-N 3.11Å; D4-E6 WeakPolarHBondContact OD1-CB 3.19Å; E6-M9 PolarHBondContact O-N 2.94Å; E6-N10 WeakPolarHBondContact O-CB 3.39Å; E6-N10 PolarHBondContact O-N 3.12Å; E6-N10 PolarHBondContact O-ND2 3.03Å; E6-N10 VanDerWaalsContact O-ND2 3.16Å
7K38.5Very low42.3Very low148 Ų14895.6 Ų95.664%0.64350%0.498SS*.Hα-helixtrans-65.6-38.7176.6-99.5-179.6-180172.60113.3D4D4-K7 HydrophobicContact CB-CB 4.2Å; D4-K7 PolarHBondContact O-N 2.81Å
8F36.4Very low43.8Very low38 Ų3897.9 Ų97.917%0.16750%0.503CS..Hα-helixtrans-68.1-43.8175.8-178.8-90.5000110.7D4 S5 N10 Q11 I12 W61D4-F8 PolarHBondContact O-N 2.74Å; S5-F8 PolarHBondContact O-N 2.77Å; F8-N10 VanDerWaalsContact C-N 3.33Å; F8-N10 PolarHBondContact O-N 2.95Å; F8-Q11 PolarHBondContact O-N 2.84Å; F8-I12 HydrophobicContact CD1-CD1 4.28Å; F8-I12 HydrophobicContact CE1-CD1 3.92Å; F8-I12 HydrophobicContact CE1-CG1 4.36Å; F8-W61 AromaticContact CD1-CD1 3.75Å; F8-W61 AromaticContact CD1-NE1 3.22Å; F8-W61 AromaticContact CE1-CD1 3.08Å; F8-W61 HydrophobicContact CE1-CG 4.41Å; F8-W61 AromaticContact CE1-NE1 2.98Å; F8-W61 AromaticContact CZ-CD1 3.25Å; F8-W61 HydrophobicContact CZ-CG 4.44Å; F8-W61 AromaticContact CZ-NE1 3.68Å
9M37.3Very low45.4Very low40 Ų4094.6 Ų94.620%0.19748%0.484CS..Hα-helixtrans-65.6-33.7177.7-67.6-61.5-70.500112.4S5 E6 Q11 I12 F16S5-M9 WeakPolarHBondContact O-CB 3.45Å; S5-M9 WeakPolarHBondContact O-CG 3.23Å; S5-M9 PolarHBondContact O-N 3.37Å; E6-M9 PolarHBondContact O-N 2.94Å; M9-Q11 PolarHBondContact O-N 3.11Å; M9-I12 HydrophobicContact CE-CD1 4.09Å; M9-I12 WeakPolarHBondContact O-CA 3.49Å; M9-I12 WeakPolarHBondContact O-CB 3.22Å; M9-I12 PolarHBondContact O-N 2.89Å; M9-I12 HydrophobicContact SD-CD1 3.48Å; M9-I12 WeakPolarHBondContact SD-CD1 3.31Å; M9-F16 HydrophobicContact CE-CD1 4.34Å; M9-F16 HydrophobicContact CE-CE1 4.45Å
10N38.2Very low46.9Very low103 Ų10392.4 Ų92.455%0.55147%0.471SS*.Hα-helixtrans-65.8-21.5175.4-79.6-31.7000113.9E6 F8 I12E6-N10 WeakPolarHBondContact O-CB 3.39Å; E6-N10 PolarHBondContact O-N 3.12Å; E6-N10 PolarHBondContact O-ND2 3.03Å; E6-N10 VanDerWaalsContact O-ND2 3.16Å; F8-N10 VanDerWaalsContact C-N 3.33Å; F8-N10 PolarHBondContact O-N 2.95Å; N10-I12 VanDerWaalsContact C-N 3.33Å
11Q37.6Very low48.7Very low142 Ų14288 Ų8866%0.66445%0.448SS*.THydrogen-bonded Turntrans-82.1-12.6170.2-68.4-175.3-15.500113F8 M9 K57F8-Q11 PolarHBondContact O-N 2.84Å; M9-Q11 PolarHBondContact O-N 3.11Å; Q11-K57 PolarHBondContact O-NZ 2.77Å
12I42.5Very low51.5Low13 Ų1379.7 Ų79.77%0.06740%0.404CS..SBendtrans-79.6139.3167.7-49.1-178.1000106.1F8 M9 N10 Q14 F16 L53F8-I12 HydrophobicContact CD1-CD1 4.28Å; F8-I12 HydrophobicContact CE1-CD1 3.92Å; F8-I12 HydrophobicContact CE1-CG1 4.36Å; M9-I12 HydrophobicContact CE-CD1 4.09Å; M9-I12 WeakPolarHBondContact O-CA 3.49Å; M9-I12 WeakPolarHBondContact O-CB 3.22Å; M9-I12 PolarHBondContact O-N 2.89Å; M9-I12 HydrophobicContact SD-CD1 3.48Å; M9-I12 WeakPolarHBondContact SD-CD1 3.31Å; N10-I12 VanDerWaalsContact C-N 3.33Å; I12-Q14 PolarHBondContact O-N 2.82Å; I12-F16 HydrophobicContact CG2-CB 3.49Å; I12-F16 VanDerWaalsContact CG2-CB 3.49Å; I12-F16 HydrophobicContact CG2-CD1 3.78Å; I12-F16 HydrophobicContact CG2-CD2 4.18Å; I12-F16 HydrophobicContact CG2-CG 3.52Å; I12-L53 HydrophobicContact CD1-CD2 4.23Å; I12-L53 HydrophobicContact CG2-CD2 4.06Å
13N50.8Low54Low88 Ų8876 Ų7647%0.47137%0.367SS..  trans-39.2120.2175.7-178.4-9.4000109.1Q15 F16N13-Q15 PolarHBondContact ND2-OE1 2.8Å; N13-Q15 PolarHBondContact O-N 3.01Å; N13-Q15 WeakPolarHBondContact OD1-CB 3.2Å; N13-Q15 WeakPolarHBondContact OD1-CG 3.44Å; N13-Q15 PolarHBondContact OD1-N 2.94Å; N13-F16 WeakPolarHBondContact O-CA 3.46Å; N13-F16 WeakPolarHBondContact O-CB 3.35Å; N13-F16 PolarHBondContact O-N 2.75Å
14Q54.5Low56.5Low154 Ų15473.6 Ų73.672%0.7235%0.354SS*.Hα-helixtrans-53.6-27.3-173.5-72.3176.7-13.800112.5I12 F16 H17I12-Q14 PolarHBondContact O-N 2.82Å; Q14-F16 PolarHBondContact O-N 3.19Å; Q14-H17 PolarHBondContact O-N 2.89Å
15Q56.8Low59Low82 Ų8271.3 Ų71.338%0.38334%0.341SS..Hα-helixtrans-60.9-32.6173.7-61.1174.5-11.900112.3N13 K18 Y19 L190N13-Q15 PolarHBondContact ND2-OE1 2.8Å; N13-Q15 PolarHBondContact O-N 3.01Å; N13-Q15 WeakPolarHBondContact OD1-CB 3.2Å; N13-Q15 WeakPolarHBondContact OD1-CG 3.44Å; N13-Q15 PolarHBondContact OD1-N 2.94Å; Q15-K18 PolarHBondContact O-N 2.99Å; Q15-Y19 WeakPolarHBondContact O-CD2 3.32Å; Q15-Y19 PolarHBondContact O-N 2.88Å; Q15-L190 HydrophobicContact CB-CD1 4.2Å; Q15-L190 HydrophobicContact CG-CD1 4.32Å
16F58.1Low61.4Low5 Ų568.9 Ų68.92%0.02233%0.326CS..Hα-helixtrans-59.8-52.7177-172-82.6000111.8M9 I12 N13 Q14 K18 Y19 F20 L49 L53M9-F16 HydrophobicContact CE-CD1 4.34Å; M9-F16 HydrophobicContact CE-CE1 4.45Å; I12-F16 HydrophobicContact CG2-CB 3.49Å; I12-F16 VanDerWaalsContact CG2-CB 3.49Å; I12-F16 HydrophobicContact CG2-CD1 3.78Å; I12-F16 HydrophobicContact CG2-CD2 4.18Å; I12-F16 HydrophobicContact CG2-CG 3.52Å; N13-F16 WeakPolarHBondContact O-CA 3.46Å; N13-F16 WeakPolarHBondContact O-CB 3.35Å; N13-F16 PolarHBondContact O-N 2.75Å; Q14-F16 PolarHBondContact O-N 3.19Å; F16-K18 PolarHBondContact O-N 2.86Å; F16-K18 VanDerWaalsContact O-N 3.15Å; F16-Y19 PolarHBondContact O-N 3.23Å; F16-F20 HydrophobicContact CD1-CB 3.85Å; F16-F20 HydrophobicContact CD1-CG 4.34Å; F16-F20 HydrophobicContact CE1-CB 3.25Å; F16-F20 AromaticContact CE1-CD1 3.47Å; F16-F20 HydrophobicContact CE1-CD1 3.47Å; F16-F20 VanDerWaalsContact CE1-CD1 3.47Å; F16-F20 AromaticContact CE1-CD2 3.98Å; F16-F20 HydrophobicContact CE1-CD2 3.98Å; F16-F20 HydrophobicContact CE1-CE1 4.23Å; F16-F20 AromaticContact CE1-CG 3.3Å; F16-F20 HydrophobicContact CE1-CG 3.3Å; F16-F20 HydrophobicContact CE2-CB 4.08Å; F16-F20 HydrophobicContact CE2-CD2 4.1Å; F16-F20 HydrophobicContact CE2-CG 4.17Å; F16-F20 HydrophobicContact CG-CB 4.46Å; F16-F20 HydrophobicContact CZ-CB 3.3Å; F16-F20 AromaticContact CZ-CD1 3.64Å; F16-F20 HydrophobicContact CZ-CD1 3.64Å; F16-F20 AromaticContact CZ-CD2 3.27Å; F16-F20 HydrophobicContact CZ-CD2 3.27Å; F16-F20 HydrophobicContact CZ-CE1 4.21Å; F16-F20 AromaticContact CZ-CE2 3.9Å; F16-F20 HydrophobicContact CZ-CE2 3.9Å; F16-F20 AromaticContact CZ-CG 3.11Å; F16-F20 HydrophobicContact CZ-CG 3.11Å; F16-F20 HydrophobicContact CZ-CZ 4.32Å; F16-F20 VanDerWaalsContact O-CB 3.24Å; F16-F20 WeakPolarHBondContact O-CB 3.3Å; F16-F20 PolarHBondContact O-N 3.16Å; F16-L49 HydrophobicContact CB-CD1 3.55Å; F16-L49 HydrophobicContact CB-CG 4.06Å; F16-L49 HydrophobicContact CD2-CB 4.27Å; F16-L49 HydrophobicContact CD2-CD1 3.57Å; F16-L49 HydrophobicContact CD2-CD2 4.21Å; F16-L49 HydrophobicContact CD2-CG 3.3Å; F16-L49 WeakPolarHBondContact CD2-O 3.48Å; F16-L49 HydrophobicContact CE2-CG 3.83Å; F16-L49 WeakPolarHBondContact CE2-O 3.47Å; F16-L49 HydrophobicContact CG-CD1 4.01Å; F16-L49 HydrophobicContact CG-CG 4.03Å; F16-L53 HydrophobicContact CD2-CD1 4.08Å; F16-L53 HydrophobicContact CD2-CD2 4.12Å; F16-L53 HydrophobicContact CD2-CG 3.98Å; F16-L53 HydrophobicContact CE1-CD1 3.8Å; F16-L53 HydrophobicContact CE1-CD2 4.36Å; F16-L53 HydrophobicContact CE1-CG 4.48Å; F16-L53 HydrophobicContact CE2-CD1 3.12Å; F16-L53 HydrophobicContact CE2-CD2 3.98Å; F16-L53 HydrophobicContact CE2-CG 3.45Å; F16-L53 VanDerWaalsContact CE2-CG 3.45Å; F16-L53 HydrophobicContact CZ-CD1 2.96Å; F16-L53 HydrophobicContact CZ-CD2 4.12Å; F16-L53 HydrophobicContact CZ-CG 3.77Å
17H60.4Low64Low101 Ų10167.9 Ų67.947%0.46832%0.32SS..Hα-helixtrans-57.9-33.3-177.2-168-87000112.1Q14 S181Q14-H17 PolarHBondContact O-N 2.89Å; H17-S181 PolarHBondContact O-OG 3.03Å
18K68.3Low66.5Low137 Ų13761.3 Ų61.360%0.59629%0.292SS*.Hα-helixtrans-74.2-38.6-179.1-171.1176-179.6-178.90113.7Q15 F16Q15-K18 PolarHBondContact O-N 2.99Å; F16-K18 PolarHBondContact O-N 2.86Å; F16-K18 VanDerWaalsContact O-N 3.15Å
19Y75Confident69.1Low35 Ų3565.2 Ų65.214%0.13731%0.309CS..Hα-helixtrans-103.7-20.7-171.9-63.5-66.6000114.3Q15 F16 P185 V186 P187 L190Q15-Y19 WeakPolarHBondContact O-CD2 3.32Å; Q15-Y19 PolarHBondContact O-N 2.88Å; F16-Y19 PolarHBondContact O-N 3.23Å; Y19-P185 WeakPolarHBondContact CE1-O 3.46Å; Y19-V186 HydrophobicContact CD1-CB 4.47Å; Y19-V186 HydrophobicContact CD1-CG2 3.84Å; Y19-V186 HydrophobicContact CD2-CG2 4.48Å; Y19-V186 HydrophobicContact CG-CG2 3.79Å; Y19-P187 HydrophobicContact CE2-CG 4.32Å; Y19-P187 WeakPolarHBondContact OH-CD 3.29Å; Y19-P187 VanDerWaalsContact OH-CG 3.28Å; Y19-P187 WeakPolarHBondContact OH-CG 3.46Å; Y19-L190 HydrophobicContact CD2-CD1 4.4Å; Y19-L190 HydrophobicContact CE2-CD1 4.02Å
20F75.5Confident71.6Confident50 Ų5070.2 Ų70.222%0.21933%0.332CS..SBendtrans-75.9128174.6-172.9-110.3000110.7F16 R22 F37 S181F16-F20 HydrophobicContact CD1-CB 3.85Å; F16-F20 HydrophobicContact CD1-CG 4.34Å; F16-F20 HydrophobicContact CE1-CB 3.25Å; F16-F20 AromaticContact CE1-CD1 3.47Å; F16-F20 HydrophobicContact CE1-CD1 3.47Å; F16-F20 VanDerWaalsContact CE1-CD1 3.47Å; F16-F20 AromaticContact CE1-CD2 3.98Å; F16-F20 HydrophobicContact CE1-CD2 3.98Å; F16-F20 HydrophobicContact CE1-CE1 4.23Å; F16-F20 AromaticContact CE1-CG 3.3Å; F16-F20 HydrophobicContact CE1-CG 3.3Å; F16-F20 HydrophobicContact CE2-CB 4.08Å; F16-F20 HydrophobicContact CE2-CD2 4.1Å; F16-F20 HydrophobicContact CE2-CG 4.17Å; F16-F20 HydrophobicContact CG-CB 4.46Å; F16-F20 HydrophobicContact CZ-CB 3.3Å; F16-F20 AromaticContact CZ-CD1 3.64Å; F16-F20 HydrophobicContact CZ-CD1 3.64Å; F16-F20 AromaticContact CZ-CD2 3.27Å; F16-F20 HydrophobicContact CZ-CD2 3.27Å; F16-F20 HydrophobicContact CZ-CE1 4.21Å; F16-F20 AromaticContact CZ-CE2 3.9Å; F16-F20 HydrophobicContact CZ-CE2 3.9Å; F16-F20 AromaticContact CZ-CG 3.11Å; F16-F20 HydrophobicContact CZ-CG 3.11Å; F16-F20 HydrophobicContact CZ-CZ 4.32Å; F16-F20 VanDerWaalsContact O-CB 3.24Å; F16-F20 WeakPolarHBondContact O-CB 3.3Å; F16-F20 PolarHBondContact O-N 3.16Å; F20-R22 HydrophobicContact CD1-CB 3.78Å; F20-R22 HydrophobicContact CE1-CB 3.67Å; F20-R22 HydrophobicContact CE1-CG 4.48Å; F20-R22 PolarHBondContact O-N 3.37Å; F20-F37 HydrophobicContact CZ-CE1 4.49Å; F20-S181 WeakPolarHBondContact O-CB 3.48Å; F20-S181 PolarHBondContact O-OG 3.15Å
21T83.5Confident74Confident1 Ų167.7 Ų67.71%0.00633%0.33CS..  trans-88.294.6-174.960.70000110.6P38 N41 I42 S181T21-P38 WeakPolarHBondContact CB-O 3.4Å; T21-P38 VanDerWaalsContact CG2-O 3.28Å; T21-P38 WeakPolarHBondContact CG2-O 3.29Å; T21-P38 PolarHBondContact OG1-O 3.3Å; T21-N41 HydrophobicContact CG2-CB 4.08Å; T21-I42 HydrophobicContact CG2-CG1 3.83Å; T21-I42 WeakPolarHBondContact OG1-CD1 3.42Å; T21-I42 WeakPolarHBondContact OG1-CG1 3.43Å; T21-S181 CarbonylContact C-O 3.54Å; T21-S181 VanDerWaalsContact CA-O 3.26Å; T21-S181 WeakPolarHBondContact CA-O 2.93Å
22R84.9Confident76.4Confident61 Ų6163.3 Ų63.323%0.2331%0.307CS..  trans-152.6149.3175.6179.7-177.6166.6115.14110.7F20 D24 V35 Y36 F37 S181F20-R22 HydrophobicContact CD1-CB 3.78Å; F20-R22 HydrophobicContact CE1-CB 3.67Å; F20-R22 HydrophobicContact CE1-CG 4.48Å; F20-R22 PolarHBondContact O-N 3.37Å; R22-D24 IonicContact CZ-OD1 2.62Å; R22-D24 VanDerWaalsContact CZ-OD1 3.31Å; R22-D24 IonicContact NE-OD1 2.98Å; R22-D24 PolarHBondContact NE-OD1 3.27Å; R22-D24 IonicContact NH2-OD1 2.92Å; R22-D24 PolarHBondContact NH2-OD1 3.48Å; R22-D24 IonicContact NH2-OD2 2.71Å; R22-V35 HydrophobicContact CG-CG1 4.21Å; R22-V35 VanDerWaalsContact CZ-CG1 3.43Å; R22-Y36 CarbonylContact C-O 3.54Å; R22-Y36 VanDerWaalsContact CA-O 3.27Å; R22-Y36 WeakPolarHBondContact CA-O 3.33Å; R22-F37 HydrophobicContact CB-CD1 4.37Å; R22-F37 HydrophobicContact CB-CE1 4.25Å; R22-F37 HydrophobicContact CG-CD1 4.47Å; R22-F37 HydrophobicContact CG-CE1 4.03Å; R22-F37 HydrophobicContact CG-CZ 4.21Å; R22-S181 PolarHBondContact N-O 3.05Å; R22-S181 WeakPolarHBondContact O-CB 3.47Å; R22-S181 PolarHBondContact O-N 2.99Å
23G85.7Confident78.6Confident4 Ų464.6 Ų64.64%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-152.6145.6162.700000113.3V35 Y36 A179G23-V35 CarbonylContact O-C 3.59Å; G23-V35 WeakPolarHBondContact O-CA 3.33Å; G23-Y36 PolarHBondContact N-O 2.87Å; G23-Y36 PolarHBondContact O-N 3.08Å; G23-A179 WeakPolarHBondContact CA-O 3.49Å
24D87.6Confident80.5Confident70 Ų7060.4 Ų60.437%0.37430%0.295SS..EExtended strand (participates in β ladder)trans-101.2119.4170.2-57.2-21.1000107.1R22 V35R22-D24 IonicContact CZ-OD1 2.62Å; R22-D24 VanDerWaalsContact CZ-OD1 3.31Å; R22-D24 IonicContact NE-OD1 2.98Å; R22-D24 PolarHBondContact NE-OD1 3.27Å; R22-D24 IonicContact NH2-OD1 2.92Å; R22-D24 PolarHBondContact NH2-OD1 3.48Å; R22-D24 IonicContact NH2-OD2 2.71Å; D24-V35 WeakPolarHBondContact OD1-CG1 3.34Å
25F90.4Very high82.2Confident31 Ų3153.3 Ų53.314%0.13626%0.262CS..EExtended strand (participates in β ladder)trans-152125.8-176.3-172.7-92.6000112.1V34 Y36 P160 C167 C176 H178 A179 I180F25-V34 PolarHBondContact N-O 3.42Å; F25-V34 WeakPolarHBondContact O-CB 3.49Å; F25-Y36 HydrophobicContact CB-CD2 4.11Å; F25-Y36 HydrophobicContact CB-CE2 3.85Å; F25-Y36 WeakPolarHBondContact O-CE2 3.43Å; F25-P160 HydrophobicContact CD1-CG 3.63Å; F25-P160 HydrophobicContact CE1-CG 3.83Å; F25-P160 HydrophobicContact CG-CG 4.45Å; F25-C167 HydrophobicContact CE1-CB 3.94Å; F25-C167 HydrophobicContact CZ-CB 4.09Å; F25-C167 WeakPolarHBondContact CZ-SG 3.3Å; F25-C176 HydrophobicContact CD2-CB 4.15Å; F25-C176 HydrophobicContact CE1-CB 4.38Å; F25-C176 HydrophobicContact CE2-CB 3.84Å; F25-C176 HydrophobicContact CZ-CB 3.95Å; F25-C176 WeakPolarHBondContact CZ-SG 2.88Å; F25-H178 AromaticContact CE2-CE1 3.92Å; F25-H178 AromaticContact CE2-NE2 3.85Å; F25-A179 HydrophobicContact CB-CB 4.4Å; F25-A179 HydrophobicContact CD2-CB 3.63Å; F25-A179 HydrophobicContact CE2-CB 4.43Å; F25-A179 HydrophobicContact CG-CB 4.47Å; F25-I180 HydrophobicContact CB-CD1 4.05Å; F25-I180 HydrophobicContact CB-CG1 4.06Å; F25-I180 HydrophobicContact CG-CD1 4.48Å
26G90.9Very high83.9Confident16 Ų1649.4 Ų49.417%0.16524%0.243CC..EExtended strand (participates in β ladder)trans69.5177.5175.600000114.8V34G26-V34 PolarHBondContact O-N 3.09Å; G26-V34 VanDerWaalsContact O-N 3.09Å
27F91.7Very high85.5Confident107 Ų10750.9 Ų50.947%0.46925%0.25SC..EExtended strand (participates in β ladder)trans-131.3151.4-178-59.9-89.8000111.3G31 R32 P33 Q158F27-G31 WeakPolarHBondContact CD1-O 3.45Å; F27-R32 CarbonylContact C-O 3.42Å; F27-R32 WeakPolarHBondContact CA-O 3.2Å; F27-P33 HydrophobicContact CD1-CB 4.31Å; F27-P33 HydrophobicContact CE1-CB 4.2Å; F27-Q158 VanDerWaalsContact O-CB 3.23Å; F27-Q158 WeakPolarHBondContact O-CB 3.43Å; F27-Q158 WeakPolarHBondContact O-CG 3.02Å
28D91Very high87Confident10 Ų1046.3 Ų46.35%0.05323%0.229CC..BIsolated β-bridgetrans-69.7173.5167.788.3-10.8000111E30 G31 R32 I72 D153D28-E30 PolarHBondContact O-N 3.38Å; D28-E30 VanDerWaalsContact O-N 3.11Å; D28-E30 VanDerWaalsContact OD1-C 3.25Å; D28-E30 VanDerWaalsContact OD1-CA 3.3Å; D28-E30 WeakPolarHBondContact OD1-CA 3.33Å; D28-E30 WeakPolarHBondContact OD1-CB 3.18Å; D28-E30 PolarHBondContact OD1-N 3.29Å; D28-G31 PolarHBondContact O-N 3.3Å; D28-G31 PolarHBondContact OD1-N 2.79Å; D28-R32 HydrophobicContact CB-CB 4.4Å; D28-R32 VanDerWaalsContact CG-CB 3.46Å; D28-R32 PolarHBondContact N-O 3.33Å; D28-R32 WeakPolarHBondContact OD1-CB 3.36Å; D28-R32 PolarHBondContact OD1-N 3.14Å; D28-R32 WeakPolarHBondContact OD2-CB 3.5Å; D28-R32 WeakPolarHBondContact OD2-CD 3.43Å; D28-R32 WeakPolarHBondContact OD2-CG 3.44Å; D28-R32 IonicContact OD2-CZ 3.93Å; D28-R32 IonicContact OD2-NE 3.64Å; D28-R32 IonicContact OD2-NH1 3.28Å; D28-R32 PolarHBondContact OD2-NH1 3.11Å; D28-I72 HydrophobicContact CB-CD1 3.49Å; D28-I72 VanDerWaalsContact CB-CD1 3.49Å; D28-I72 HydrophobicContact CB-CG1 4.35Å; D28-D153 WeakPolarHBondContact CB-O 3.38Å
29K91.5Very high87.8Confident119 Ų11941.2 Ų41.252%0.51721%0.207SC..THydrogen-bonded Turntrans-61.4-17.7-179.8-70.4168.2-172.6171.10114.2L151 E152 D153K29-L151 PolarHBondContact NZ-O 2.94Å; K29-E152 PolarHBondContact NZ-O 3Å; K29-D153 VanDerWaalsContact CG-O 3.29Å; K29-D153 WeakPolarHBondContact CG-O 3.29Å; K29-D153 PolarHBondContact N-O 3.41Å
30E89.5Confident88.3Confident146 Ų14639.7 Ų39.768%0.68220%0.202SC*.THydrogen-bonded Turntrans-102.57.1179-59-65.5145.200112.2D28 R32D28-E30 PolarHBondContact O-N 3.38Å; D28-E30 VanDerWaalsContact O-N 3.11Å; D28-E30 VanDerWaalsContact OD1-C 3.25Å; D28-E30 VanDerWaalsContact OD1-CA 3.3Å; D28-E30 WeakPolarHBondContact OD1-CA 3.33Å; D28-E30 WeakPolarHBondContact OD1-CB 3.18Å; D28-E30 PolarHBondContact OD1-N 3.29Å; E30-R32 VanDerWaalsContact CB-NH1 3.34Å
31G86.8Confident88.7Confident50 Ų5040.9 Ų40.952%0.51521%0.211SC..SBendtrans80.713.5179.400000115F27 D28F27-G31 WeakPolarHBondContact CD1-O 3.45Å; D28-G31 PolarHBondContact O-N 3.3Å; D28-G31 PolarHBondContact OD1-N 2.79Å
32R88.3Confident88.5Confident49 Ų4942.4 Ų42.419%0.18522%0.218CC..  trans-76.5137.6173.4-57.4-176.6-170.589.18.7110.2F27 D28 E30 Q70F27-R32 CarbonylContact C-O 3.42Å; F27-R32 WeakPolarHBondContact CA-O 3.2Å; D28-R32 HydrophobicContact CB-CB 4.4Å; D28-R32 VanDerWaalsContact CG-CB 3.46Å; D28-R32 PolarHBondContact N-O 3.33Å; D28-R32 WeakPolarHBondContact OD1-CB 3.36Å; D28-R32 PolarHBondContact OD1-N 3.14Å; D28-R32 WeakPolarHBondContact OD2-CB 3.5Å; D28-R32 WeakPolarHBondContact OD2-CD 3.43Å; D28-R32 WeakPolarHBondContact OD2-CG 3.44Å; D28-R32 IonicContact OD2-CZ 3.93Å; D28-R32 IonicContact OD2-NE 3.64Å; D28-R32 IonicContact OD2-NH1 3.28Å; D28-R32 PolarHBondContact OD2-NH1 3.11Å; E30-R32 VanDerWaalsContact CB-NH1 3.34Å; R32-Q70 WeakPolarHBondContact CB-O 3.32Å; R32-Q70 WeakPolarHBondContact CD-O 3.15Å; R32-Q70 VanDerWaalsContact CG-O 3.31Å; R32-Q70 WeakPolarHBondContact CG-O 3.41Å
33P90.2Very high88Confident40 Ų4041.1 Ų41.126%0.2622%0.216SC..EExtended strand (participates in β ladder)trans-68.1148.2179.229.3-34.9000111.5F27 S71 I72F27-P33 HydrophobicContact CD1-CB 4.31Å; F27-P33 HydrophobicContact CE1-CB 4.2Å; P33-S71 WeakPolarHBondContact CG-OG 3.41Å; P33-I72 PolarHBondContact O-N 3.44Å
34V90.9Very high87.1Confident1 Ų141.9 Ų41.91%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-109130174.9-170.60000110F25 G26 Y36 I72 V74 I154F25-V34 PolarHBondContact N-O 3.42Å; F25-V34 WeakPolarHBondContact O-CB 3.49Å; G26-V34 PolarHBondContact O-N 3.09Å; G26-V34 VanDerWaalsContact O-N 3.09Å; V34-Y36 HydrophobicContact CB-CE2 4.2Å; V34-Y36 HydrophobicContact CG1-CD2 4.45Å; V34-Y36 HydrophobicContact CG1-CE1 4.29Å; V34-Y36 HydrophobicContact CG1-CE2 3.73Å; V34-I72 CarbonylContact C-O 3.53Å; V34-I72 WeakPolarHBondContact CA-O 3.42Å; V34-I72 HydrophobicContact CG1-CB 4.32Å; V34-I72 HydrophobicContact CG1-CG2 4.2Å; V34-I72 HydrophobicContact CG2-CB 4.27Å; V34-V74 HydrophobicContact CG1-CG2 3.96Å; V34-I154 HydrophobicContact CG1-CD1 3.87Å; V34-I154 HydrophobicContact CG2-CD1 3.97Å; V34-I154 HydrophobicContact CG2-CG1 4.09Å; V34-I154 HydrophobicContact CG2-CG2 4.48Å
35V90.1Very high86Confident5 Ų544.1 Ų44.13%0.0323%0.227CC..EExtended strand (participates in β ladder)trans-118.8127.7-178.9-173.30000109.9R22 G23 D24 F37 I72 Y73 V74R22-V35 HydrophobicContact CG-CG1 4.21Å; R22-V35 VanDerWaalsContact CZ-CG1 3.43Å; G23-V35 CarbonylContact O-C 3.59Å; G23-V35 WeakPolarHBondContact O-CA 3.33Å; D24-V35 WeakPolarHBondContact OD1-CG1 3.34Å; V35-F37 HydrophobicContact CB-CE2 4.13Å; V35-F37 HydrophobicContact CG1-CD2 4.05Å; V35-F37 HydrophobicContact CG1-CE2 3.29Å; V35-F37 HydrophobicContact CG1-CZ 3.86Å; V35-I72 PolarHBondContact N-O 3.19Å; V35-Y73 HydrophobicContact CB-CD1 4.14Å; V35-Y73 HydrophobicContact CB-CE1 4.21Å; V35-Y73 HydrophobicContact CG1-CD1 4.46Å; V35-Y73 HydrophobicContact CG1-CE1 4.4Å; V35-Y73 HydrophobicContact CG2-CE1 4.42Å; V35-Y73 CarbonylContact O-C 3.48Å; V35-Y73 WeakPolarHBondContact O-CA 3.45Å; V35-V74 PolarHBondContact O-N 3.19Å
36Y92Very high84.7Confident0 Ų042.8 Ų42.80%022%0.222CC..EExtended strand (participates in β ladder)trans-105137.5-178.8-61.3-90.5000111.4R22 G23 F25 V34 V74 L159 P160 Y163 I180R22-Y36 CarbonylContact C-O 3.54Å; R22-Y36 VanDerWaalsContact CA-O 3.27Å; R22-Y36 WeakPolarHBondContact CA-O 3.33Å; G23-Y36 PolarHBondContact N-O 2.87Å; G23-Y36 PolarHBondContact O-N 3.08Å; F25-Y36 HydrophobicContact CB-CD2 4.11Å; F25-Y36 HydrophobicContact CB-CE2 3.85Å; F25-Y36 WeakPolarHBondContact O-CE2 3.43Å; V34-Y36 HydrophobicContact CB-CE2 4.2Å; V34-Y36 HydrophobicContact CG1-CD2 4.45Å; V34-Y36 HydrophobicContact CG1-CE1 4.29Å; V34-Y36 HydrophobicContact CG1-CE2 3.73Å; Y36-V74 CarbonylContact C-O 3.48Å; Y36-V74 WeakPolarHBondContact CA-O 3.39Å; Y36-V74 HydrophobicContact CD1-CB 3.72Å; Y36-V74 HydrophobicContact CD1-CG1 4Å; Y36-V74 HydrophobicContact CD1-CG2 4.21Å; Y36-V74 HydrophobicContact CE1-CB 3.99Å; Y36-V74 HydrophobicContact CE1-CG1 4.21Å; Y36-V74 HydrophobicContact CE1-CG2 3.98Å; Y36-L159 HydrophobicContact CE1-CD1 4.31Å; Y36-L159 VanDerWaalsContact OH-CD1 3.31Å; Y36-L159 WeakPolarHBondContact OH-CD1 3.41Å; Y36-P160 WeakPolarHBondContact OH-CD 3.43Å; Y36-Y163 AromaticContact CD1-CD2 3.69Å; Y36-Y163 HydrophobicContact CD1-CD2 3.69Å; Y36-Y163 AromaticContact CD1-CE2 3.31Å; Y36-Y163 HydrophobicContact CD1-CE2 3.31Å; Y36-Y163 AromaticContact CE1-CD2 3.49Å; Y36-Y163 HydrophobicContact CE1-CD2 3.49Å; Y36-Y163 VanDerWaalsContact CE1-CD2 3.49Å; Y36-Y163 AromaticContact CE1-CE2 3.67Å; Y36-Y163 HydrophobicContact CE1-CE2 3.67Å; Y36-Y163 HydrophobicContact CE1-CG 4.34Å; Y36-Y163 HydrophobicContact CG-CE2 4.12Å; Y36-I180 HydrophobicContact CD1-CD1 4.48Å; Y36-I180 HydrophobicContact CD2-CD1 3.58Å; Y36-I180 HydrophobicContact CD2-CG1 4.21Å; Y36-I180 HydrophobicContact CE2-CD1 4.1Å; Y36-I180 HydrophobicContact CG-CD1 3.8Å
37F91Very high82.8Confident36 Ų3642.1 Ų42.116%0.15821%0.214CC..EExtended strand (participates in β ladder)trans-127.791.8174.3-68.8-92.3000109.8F20 R22 V35 F39 Y73 V74 I75 D76F20-F37 HydrophobicContact CZ-CE1 4.49Å; R22-F37 HydrophobicContact CB-CD1 4.37Å; R22-F37 HydrophobicContact CB-CE1 4.25Å; R22-F37 HydrophobicContact CG-CD1 4.47Å; R22-F37 HydrophobicContact CG-CE1 4.03Å; R22-F37 HydrophobicContact CG-CZ 4.21Å; V35-F37 HydrophobicContact CB-CE2 4.13Å; V35-F37 HydrophobicContact CG1-CD2 4.05Å; V35-F37 HydrophobicContact CG1-CE2 3.29Å; V35-F37 HydrophobicContact CG1-CZ 3.86Å; F37-F39 PolarHBondContact O-N 2.92Å; F37-Y73 HydrophobicContact CD2-CD1 4.23Å; F37-Y73 AromaticContact CE2-CD1 3.46Å; F37-Y73 HydrophobicContact CE2-CD1 3.46Å; F37-Y73 VanDerWaalsContact CE2-CD1 3.46Å; F37-Y73 AromaticContact CE2-CE1 3.85Å; F37-Y73 HydrophobicContact CE2-CE1 3.85Å; F37-Y73 HydrophobicContact CZ-CD1 4.28Å; F37-Y73 HydrophobicContact CZ-CE1 4.27Å; F37-V74 PolarHBondContact N-O 3.07Å; F37-I75 HydrophobicContact CB-CG1 4.22Å; F37-D76 PolarHBondContact O-N 3.41Å
38P91.5Very high80.9Confident4 Ų442.5 Ų42.53%0.02622%0.216CC..EExtended strand (participates in β ladder)trans-6978172.5-17.531.8000111.4T21 G40 I180 Y182T21-P38 WeakPolarHBondContact CB-O 3.4Å; T21-P38 VanDerWaalsContact CG2-O 3.28Å; T21-P38 WeakPolarHBondContact CG2-O 3.29Å; T21-P38 PolarHBondContact OG1-O 3.3Å; P38-G40 PolarHBondContact O-N 2.97Å; P38-I180 HydrophobicContact CG-CG2 3.93Å; P38-Y182 HydrophobicContact CB-CD1 3.66Å; P38-Y182 HydrophobicContact CB-CE1 4.16Å; P38-Y182 HydrophobicContact CB-CG 4.44Å; P38-Y182 HydrophobicContact CG-CD1 3.58Å; P38-Y182 HydrophobicContact CG-CE1 3.79Å; P38-Y182 HydrophobicContact CG-CG 4.19Å
39F86Confident78.9Confident31 Ų3143 Ų4314%0.13622%0.218CC..G310 helixtrans-71.1-33.7-162.8-148.8-111.5000112.9F37 N41 I42 I75 D76 M77 I80 F93F37-F39 PolarHBondContact O-N 2.92Å; F39-N41 PolarHBondContact O-N 3.3Å; F39-I42 HydrophobicContact CD2-CD1 3.37Å; F39-I42 HydrophobicContact CE2-CD1 3.43Å; F39-I42 VanDerWaalsContact CE2-CD1 3.43Å; F39-I42 HydrophobicContact CG-CD1 3.95Å; F39-I42 HydrophobicContact CZ-CD1 4.05Å; F39-I42 WeakPolarHBondContact O-CB 3.06Å; F39-I42 WeakPolarHBondContact O-CG1 3.41Å; F39-I42 PolarHBondContact O-N 3.17Å; F39-I42 VanDerWaalsContact O-N 3.16Å; F39-I75 HydrophobicContact CB-CG2 3.95Å; F39-I75 HydrophobicContact CG-CG2 4.33Å; F39-D76 WeakPolarHBondContact CB-O 3.15Å; F39-D76 PolarHBondContact N-O 3.26Å; F39-M77 HydrophobicContact CB-SD 4.09Å; F39-M77 HydrophobicContact CD1-SD 4.11Å; F39-M77 HydrophobicContact CG-SD 4.4Å; F39-I80 HydrophobicContact CB-CD1 4.22Å; F39-I80 HydrophobicContact CD1-CD1 3.53Å; F39-I80 HydrophobicContact CD1-CG1 4.45Å; F39-I80 HydrophobicContact CE1-CD1 4.39Å; F39-I80 HydrophobicContact CG-CD1 4.3Å; F39-F93 HydrophobicContact CE2-CD2 4.14Å; F39-F93 AromaticContact CE2-CE2 3.76Å; F39-F93 HydrophobicContact CE2-CE2 3.76Å; F39-F93 HydrophobicContact CE2-CZ 4.32Å; F39-F93 AromaticContact CZ-CD2 3.9Å; F39-F93 HydrophobicContact CZ-CD2 3.9Å; F39-F93 AromaticContact CZ-CE2 3.76Å; F39-F93 HydrophobicContact CZ-CE2 3.76Å; F39-F93 HydrophobicContact CZ-CG 4.36Å; F39-F93 HydrophobicContact CZ-CZ 4.09Å
40G84.7Confident76.9Confident3 Ų338.9 Ų38.93%0.03120%0.204CC..G310 helixtrans-72.1-8.7-176.700000116.1P38 Q78 H84P38-G40 PolarHBondContact O-N 2.97Å; G40-Q78 VanDerWaalsContact CA-O 3.25Å; G40-Q78 WeakPolarHBondContact CA-O 3.49Å; G40-H84 PolarHBondContact O-NE2 2.79Å
41N84.4Confident74.8Confident75 Ų7536.7 Ų36.740%0.40119%0.189SC..G310 helixtrans-96-0.4174.1-68.2-14.8000113.3T21 F39 D43 Y182T21-N41 HydrophobicContact CG2-CB 4.08Å; F39-N41 PolarHBondContact O-N 3.3Å; N41-D43 PolarHBondContact O-N 2.81Å; N41-Y182 WeakPolarHBondContact CB-O 3.46Å; N41-Y182 PolarHBondContact ND2-O 3.04Å
42I80.2Confident72.8Confident32 Ų3239.5 Ų39.516%0.16419%0.193CC..  trans-64132174-64.8176.7000108.4T21 F39 P44 H84T21-I42 HydrophobicContact CG2-CG1 3.83Å; T21-I42 WeakPolarHBondContact OG1-CD1 3.42Å; T21-I42 WeakPolarHBondContact OG1-CG1 3.43Å; F39-I42 HydrophobicContact CD2-CD1 3.37Å; F39-I42 HydrophobicContact CE2-CD1 3.43Å; F39-I42 VanDerWaalsContact CE2-CD1 3.43Å; F39-I42 HydrophobicContact CG-CD1 3.95Å; F39-I42 HydrophobicContact CZ-CD1 4.05Å; F39-I42 WeakPolarHBondContact O-CB 3.06Å; F39-I42 WeakPolarHBondContact O-CG1 3.41Å; F39-I42 PolarHBondContact O-N 3.17Å; F39-I42 VanDerWaalsContact O-N 3.16Å; I42-P44 WeakPolarHBondContact O-CD 3.34Å; I42-H84 PolarHBondContact O-NE2 2.91Å
43D74.4Confident70.8Confident35 Ų3538.4 Ų38.419%0.18719%0.19CC..  trans-79.1107.2161.9-165.4-29000108.7N41 K45 G46 V186 H191N41-D43 PolarHBondContact O-N 2.81Å; D43-K45 PolarHBondContact O-N 3.46Å; D43-K45 VanDerWaalsContact O-N 3.13Å; D43-K45 WeakPolarHBondContact OD1-CB 3.23Å; D43-K45 PolarHBondContact OD1-N 2.72Å; D43-G46 PolarHBondContact O-N 2.83Å; D43-V186 HydrophobicContact CB-CB 4.04Å; D43-V186 HydrophobicContact CB-CG2 3.54Å; D43-H191 IonicContact OD2-CD2 3.53Å; D43-H191 IonicContact OD2-CE1 2.77Å; D43-H191 IonicContact OD2-NE2 3.97Å; D43-H191 PolarHBondContact OD2-NE2 3.07Å; D43-H191 VanDerWaalsContact OD2-NE2 3.08Å
44P66Low68.7Low20 Ų2037.4 Ų37.413%0.1319%0.188CC..THydrogen-bonded Turntrans-57.3-32.9179.823.9-33.2000111I42 G46 K83 W86I42-P44 WeakPolarHBondContact O-CD 3.34Å; P44-G46 VanDerWaalsContact C-N 3.29Å; P44-G46 PolarHBondContact O-N 3.02Å; P44-K83 HydrophobicContact CG-CG 4.27Å; P44-K83 VanDerWaalsContact CG-O 3.29Å; P44-K83 WeakPolarHBondContact CG-O 3.21Å; P44-W86 HydrophobicContact CB-CB 3.91Å; P44-W86 HydrophobicContact CB-CE3 4.28Å; P44-W86 WeakPolarHBondContact O-CZ3 3.38Å
45K64.2Low66.2Low116 Ų11644.6 Ų44.650%0.50422%0.221SC..THydrogen-bonded Turntrans-80.5-3-177.9-63.6-176.7178.4-177.30113.3D43 E47 H191 F192D43-K45 PolarHBondContact O-N 3.46Å; D43-K45 VanDerWaalsContact O-N 3.13Å; D43-K45 WeakPolarHBondContact OD1-CB 3.23Å; D43-K45 PolarHBondContact OD1-N 2.72Å; K45-E47 PolarHBondContact O-N 3.18Å; K45-H191 CarbonylContact O-C 3.48Å; K45-H191 WeakPolarHBondContact O-CA 3.36Å; K45-F192 VanDerWaalsContact O-CB 3.3Å; K45-F192 WeakPolarHBondContact O-CB 3.18Å; K45-F192 PolarHBondContact O-N 3.08Å
46G63.6Low63.7Low3 Ų351.2 Ų51.23%0.03125%0.252CS..  trans-69.721.3177.700000115.6D43 P44 K48 L49D43-G46 PolarHBondContact O-N 2.83Å; P44-G46 VanDerWaalsContact C-N 3.29Å; P44-G46 PolarHBondContact O-N 3.02Å; G46-K48 PolarHBondContact O-N 2.73Å; G46-K48 VanDerWaalsContact O-N 3.14Å; G46-L49 WeakPolarHBondContact O-CB 3.27Å; G46-L49 PolarHBondContact O-N 3.31Å; G46-L49 VanDerWaalsContact O-N 3.12Å
47E51.7Low61.4Low3 Ų353.8 Ų53.81%0.01426%0.263CS..THydrogen-bonded Turntrans-62.4-26-156.5-156-149.3138.200117.1K45 L49 C50 R51 W86 P88 F192K45-E47 PolarHBondContact O-N 3.18Å; E47-L49 CarbonylContact O-C 3.58Å; E47-L49 PolarHBondContact O-N 3.45Å; E47-C50 PolarHBondContact O-N 2.97Å; E47-R51 PolarHBondContact O-N 2.64Å; E47-R51 VanDerWaalsContact O-N 3.12Å; E47-R51 IonicContact OE1-CZ 3.63Å; E47-R51 VanDerWaalsContact OE1-CZ 3.28Å; E47-R51 IonicContact OE1-NE 3.18Å; E47-R51 PolarHBondContact OE1-NE 3.19Å; E47-R51 IonicContact OE1-NH2 2.72Å; E47-R51 PolarHBondContact OE1-NH2 3.19Å; E47-R51 IonicContact OE2-NH2 2.93Å; E47-W86 HydrophobicContact CB-CH2 3.55Å; E47-W86 HydrophobicContact CB-CZ3 3.64Å; E47-W86 HydrophobicContact CG-CH2 3.85Å; E47-W86 HydrophobicContact CG-CZ3 3.73Å; E47-W86 WeakPolarHBondContact OE2-CH2 3.45Å; E47-P88 WeakPolarHBondContact OE2-CB 3.4Å; E47-F192 HydrophobicContact CB-CB 3.95Å; E47-F192 HydrophobicContact CB-CD2 4.17Å; E47-F192 HydrophobicContact CB-CG 4.4Å; E47-F192 WeakPolarHBondContact OE2-CD2 3.44Å; E47-F192 WeakPolarHBondContact OE2-CE2 3.34Å
48K51.3Low59.1Low115 Ų11553.2 Ų53.250%0.526%0.263SS..Hα-helixtrans-50.6-26.9174.5-85.4-173.1176.5177.50111.3G46 N52G46-K48 PolarHBondContact O-N 2.73Å; G46-K48 VanDerWaalsContact O-N 3.14Å; K48-N52 PolarHBondContact O-ND2 3.29Å; K48-N52 VanDerWaalsContact O-ND2 3.13Å
49L48.4Very low56.5Low19 Ų1957.8 Ų57.810%0.09928%0.283CS..Hα-helixtrans-75.5-42.8176.6-152.654.3000113.8F16 G46 E47F16-L49 HydrophobicContact CB-CD1 3.55Å; F16-L49 HydrophobicContact CB-CG 4.06Å; F16-L49 HydrophobicContact CD2-CB 4.27Å; F16-L49 HydrophobicContact CD2-CD1 3.57Å; F16-L49 HydrophobicContact CD2-CD2 4.21Å; F16-L49 HydrophobicContact CD2-CG 3.3Å; F16-L49 WeakPolarHBondContact CD2-O 3.48Å; F16-L49 HydrophobicContact CE2-CG 3.83Å; F16-L49 WeakPolarHBondContact CE2-O 3.47Å; F16-L49 HydrophobicContact CG-CD1 4.01Å; F16-L49 HydrophobicContact CG-CG 4.03Å; G46-L49 WeakPolarHBondContact O-CB 3.27Å; G46-L49 PolarHBondContact O-N 3.31Å; G46-L49 VanDerWaalsContact O-N 3.12Å; E47-L49 CarbonylContact O-C 3.58Å; E47-L49 PolarHBondContact O-N 3.45Å
50C49.1Very low54.3Low33 Ų3360 Ų6022%0.22330%0.296CS..Hα-helixtrans-80.5-36.9-173.6-61.60000113.4E47 L53 G54 V92E47-C50 PolarHBondContact O-N 2.97Å; C50-L53 WeakPolarHBondContact O-CB 3.31Å; C50-L53 PolarHBondContact O-N 3.21Å; C50-G54 PolarHBondContact O-N 3.01Å; C50-V92 HydrophobicContact CB-CG1 3.84Å
51R45.9Very low52.2Low100 Ų10065.5 Ų65.538%0.37732%0.316SS..Hα-helixtrans-67.3-39.6-178.1-165.9-177.7-63.9-151.7-3.1112.8E47 L53 G54 Y272E47-R51 PolarHBondContact O-N 2.64Å; E47-R51 VanDerWaalsContact O-N 3.12Å; E47-R51 IonicContact OE1-CZ 3.63Å; E47-R51 VanDerWaalsContact OE1-CZ 3.28Å; E47-R51 IonicContact OE1-NE 3.18Å; E47-R51 PolarHBondContact OE1-NE 3.19Å; E47-R51 IonicContact OE1-NH2 2.72Å; E47-R51 PolarHBondContact OE1-NH2 3.19Å; E47-R51 IonicContact OE2-NH2 2.93Å; R51-L53 PolarHBondContact O-N 3.45Å; R51-G54 PolarHBondContact O-N 2.94Å; R51-Y272 PolarHBondContact NH2-OH 2.94Å
52N45.4Very low50.2Low110 Ų11064.6 Ų64.659%0.58831%0.309SS*.Hα-helixtrans-62.8-20.9176-72.4-20.7000112.9K48K48-N52 PolarHBondContact O-ND2 3.29Å; K48-N52 VanDerWaalsContact O-ND2 3.13Å
53L46.8Very low48.1Very low25 Ų2569.2 Ų69.213%0.13133%0.329CS..Hα-helixtrans-79.5-46172.4-69.9-173.2000113.2I12 F16 C50 R51 Q55 K57I12-L53 HydrophobicContact CD1-CD2 4.23Å; I12-L53 HydrophobicContact CG2-CD2 4.06Å; F16-L53 HydrophobicContact CD2-CD1 4.08Å; F16-L53 HydrophobicContact CD2-CD2 4.12Å; F16-L53 HydrophobicContact CD2-CG 3.98Å; F16-L53 HydrophobicContact CE1-CD1 3.8Å; F16-L53 HydrophobicContact CE1-CD2 4.36Å; F16-L53 HydrophobicContact CE1-CG 4.48Å; F16-L53 HydrophobicContact CE2-CD1 3.12Å; F16-L53 HydrophobicContact CE2-CD2 3.98Å; F16-L53 HydrophobicContact CE2-CG 3.45Å; F16-L53 VanDerWaalsContact CE2-CG 3.45Å; F16-L53 HydrophobicContact CZ-CD1 2.96Å; F16-L53 HydrophobicContact CZ-CD2 4.12Å; F16-L53 HydrophobicContact CZ-CG 3.77Å; C50-L53 WeakPolarHBondContact O-CB 3.31Å; C50-L53 PolarHBondContact O-N 3.21Å; R51-L53 PolarHBondContact O-N 3.45Å; L53-Q55 VanDerWaalsContact C-N 3.31Å; L53-Q55 PolarHBondContact O-N 3.36Å; L53-K57 PolarHBondContact O-N 2.94Å
54G44.5Very low46.3Very low20 Ų2075 Ų7521%0.20635%0.349CS..Hα-helixtrans-63.2-34.6-16400000113.8C50 R51C50-G54 PolarHBondContact O-N 3.01Å; R51-G54 PolarHBondContact O-N 2.94Å
55Q38.6Very low44.7Very low152 Ų15277.4 Ų77.471%0.7138%0.376SS*.THydrogen-bonded Turntrans-95.7-46.1-174.5-68.1-172.8-25.200113.9L53L53-Q55 VanDerWaalsContact C-N 3.31Å; L53-Q55 PolarHBondContact O-N 3.36Å
56E38.3Very low43.4Very low143 Ų14375.2 Ų75.267%0.66838%0.375SS*.THydrogen-bonded Turntrans-92.9-29.8-170.6-71.8-172.5159.700114.5
57K43.5Very low42.3Very low55 Ų5580.9 Ų80.924%0.23941%0.409CS..Hα-helixtrans-115-23.2-159.3-64.8-167.3177.9-174.90116.1Q11 L53 H59 L60 W61Q11-K57 PolarHBondContact O-NZ 2.77Å; L53-K57 PolarHBondContact O-N 2.94Å; K57-H59 PolarHBondContact O-N 2.83Å; K57-L60 HydrophobicContact CG-CD1 4.49Å; K57-L60 PolarHBondContact O-N 3.16Å; K57-W61 PolarHBondContact O-N 3.05Å
58V42.4Very low42Very low24 Ų2484.7 Ų84.715%0.14543%0.432CS..Hα-helixtrans-61.9-37.2169.1-174.60000110.1W61 F62 C99V58-W61 VanDerWaalsContact O-CB 3.28Å; V58-W61 WeakPolarHBondContact O-CB 3.4Å; V58-W61 PolarHBondContact O-N 2.9Å; V58-F62 HydrophobicContact CG1-CD2 3.88Å; V58-F62 HydrophobicContact CG1-CE2 3.52Å; V58-F62 WeakPolarHBondContact O-CD2 3.38Å; V58-F62 PolarHBondContact O-N 3.39Å; V58-C99 HydrophobicContact CG1-CB 4.1Å; V58-C99 WeakPolarHBondContact CG1-SG 3.41Å
59H37.3Very low42.6Very low99 Ų9987.7 Ų87.746%0.45844%0.442SS..Hα-helixtrans-61.6-44.8174-168.466.1000112.8K57 W61 F62 Q63K57-H59 PolarHBondContact O-N 2.83Å; H59-W61 VanDerWaalsContact C-N 3.31Å; H59-W61 PolarHBondContact O-N 3.33Å; H59-F62 PolarHBondContact O-N 2.78Å; H59-Q63 PolarHBondContact CD2-NE2 2.93Å; H59-Q63 PolarHBondContact NE2-NE2 2.79Å; H59-Q63 WeakPolarHBondContact O-CG 3.43Å; H59-Q63 PolarHBondContact O-N 2.7Å
60L39.3Very low44.2Very low78 Ų7890.5 Ų90.541%0.40846%0.455SS..Hα-helixtrans-66.5-30.9176.4-71.4171.3000113.1K57 F62K57-L60 HydrophobicContact CG-CD1 4.49Å; K57-L60 PolarHBondContact O-N 3.16Å; L60-F62 VanDerWaalsContact C-N 3.32Å
61W41.3Very low45.9Very low119 Ų11989.6 Ų89.645%0.45145%0.449SS..Hα-helixtrans-58.9-44.3172.4-118.971.4000111.4F8 K57 V58 H59F8-W61 AromaticContact CD1-CD1 3.75Å; F8-W61 AromaticContact CD1-NE1 3.22Å; F8-W61 AromaticContact CE1-CD1 3.08Å; F8-W61 HydrophobicContact CE1-CG 4.41Å; F8-W61 AromaticContact CE1-NE1 2.98Å; F8-W61 AromaticContact CZ-CD1 3.25Å; F8-W61 HydrophobicContact CZ-CG 4.44Å; F8-W61 AromaticContact CZ-NE1 3.68Å; K57-W61 PolarHBondContact O-N 3.05Å; V58-W61 VanDerWaalsContact O-CB 3.28Å; V58-W61 WeakPolarHBondContact O-CB 3.4Å; V58-W61 PolarHBondContact O-N 2.9Å; H59-W61 VanDerWaalsContact C-N 3.31Å; H59-W61 PolarHBondContact O-N 3.33Å
62F41.5Very low48.1Very low56 Ų5684.8 Ų84.825%0.24643%0.431CS..Hα-helixtrans-84.7-28.7-175.9-70.8-61.3000114.3V58 H59 L60 R64 L100 H103 A104V58-F62 HydrophobicContact CG1-CD2 3.88Å; V58-F62 HydrophobicContact CG1-CE2 3.52Å; V58-F62 WeakPolarHBondContact O-CD2 3.38Å; V58-F62 PolarHBondContact O-N 3.39Å; H59-F62 PolarHBondContact O-N 2.78Å; L60-F62 VanDerWaalsContact C-N 3.32Å; F62-R64 PolarHBondContact O-N 2.83Å; F62-R64 VanDerWaalsContact O-N 3.07Å; F62-L100 HydrophobicContact CE2-CD2 4.19Å; F62-L100 HydrophobicContact CZ-CD2 3.76Å; F62-H103 HydrophobicContact CB-CB 4.45Å; F62-H103 HydrophobicContact CD1-CB 4Å; F62-H103 HydrophobicContact CD2-CB 3.61Å; F62-H103 AromaticContact CD2-CG 3.86Å; F62-H103 HydrophobicContact CE1-CB 4.13Å; F62-H103 HydrophobicContact CE2-CB 3.73Å; F62-H103 HydrophobicContact CG-CB 3.76Å; F62-H103 HydrophobicContact CZ-CB 3.99Å; F62-A104 HydrophobicContact CE1-CB 3.67Å; F62-A104 HydrophobicContact CZ-CB 4.09Å
63Q36.7Very low50.3Low128 Ų12881.7 Ų81.760%0.59841%0.411SS*.Hα-helixtrans-60.6-18.8175.6-78.3-169.14.700113.4H59 G65H59-Q63 PolarHBondContact CD2-NE2 2.93Å; H59-Q63 PolarHBondContact NE2-NE2 2.79Å; H59-Q63 WeakPolarHBondContact O-CG 3.43Å; H59-Q63 PolarHBondContact O-N 2.7Å; Q63-G65 PolarHBondContact O-N 3.24Å
64R37Very low52.6Low158 Ų15880.5 Ų80.560%0.59641%0.405SS*.SBendtrans-9852-180-71.1-168.5165131.1-0.5113.5F62 C66F62-R64 PolarHBondContact O-N 2.83Å; F62-R64 VanDerWaalsContact O-N 3.07Å; R64-C66 PolarHBondContact O-N 3.31Å
65G31.8Very low54.9Low69 Ų6980.8 Ų80.871%0.71140%0.401SS*.  trans41.833.2149.800000118.6Q63 T67Q63-G65 PolarHBondContact O-N 3.24Å; G65-T67 PolarHBondContact O-N 3.3Å
66C36.5Very low57.6Low70 Ų7073.9 Ų73.947%0.47337%0.369SS..  trans-66.3120176.2-71.10000107.6R64 V68R64-C66 PolarHBondContact O-N 3.31Å; C66-V68 VanDerWaalsContact C-N 3.33Å; C66-V68 WeakPolarHBondContact O-CG2 3.28Å; C66-V68 PolarHBondContact O-N 3.14Å
67T40.5Very low60.2Low122 Ų12267.5 Ų67.575%0.74834%0.339SS*.  trans-59.1103.7163.5-29.90000105.8G65 Y69G65-T67 PolarHBondContact O-N 3.3Å; T67-Y69 PolarHBondContact O-N 3.42Å
68V46.3Very low62.6Low83 Ų8369.9 Ų69.950%0.50335%0.352SS..  trans-71.2101.9-170.6-179.40000108.4C66 S107C66-V68 VanDerWaalsContact C-N 3.33Å; C66-V68 WeakPolarHBondContact O-CG2 3.28Å; C66-V68 PolarHBondContact O-N 3.14Å; V68-S107 VanDerWaalsContact CG1-CA 3.44Å
69Y63Low64.8Low178 Ų17871.1 Ų71.170%0.69837%0.369SS*.  trans-70.7136.9161.6-65.3-81.6000108.3T67 S71T67-Y69 PolarHBondContact O-N 3.42Å; Y69-S71 PolarHBondContact O-N 3.08Å; Y69-S71 PolarHBondContact O-OG 3.24Å
70Q82.6Confident67.2Low78 Ų7867.1 Ų67.136%0.36435%0.351SS..  trans-59.9138.9170.6-52.7-175.6-48.300108.7R32 S107R32-Q70 WeakPolarHBondContact CB-O 3.32Å; R32-Q70 WeakPolarHBondContact CD-O 3.15Å; R32-Q70 VanDerWaalsContact CG-O 3.31Å; R32-Q70 WeakPolarHBondContact CG-O 3.41Å; Q70-S107 CarbonylContact C-O 3.59Å; Q70-S107 VanDerWaalsContact CA-O 3.29Å; Q70-S107 WeakPolarHBondContact CA-O 3.28Å
71S85.2Confident69.3Low14 Ų1465.7 Ų65.710%0.09835%0.347CS..EExtended strand (participates in β ladder)trans-124.9154.2-174.9-53.40000111.6P33 Y69 S107 Y109P33-S71 WeakPolarHBondContact CG-OG 3.41Å; Y69-S71 PolarHBondContact O-N 3.08Å; Y69-S71 PolarHBondContact O-OG 3.24Å; S71-S107 PolarHBondContact N-O 3.16Å; S71-Y109 WeakPolarHBondContact O-CB 3.44Å; S71-Y109 PolarHBondContact O-N 3Å
72I90.9Very high70.9Confident0 Ų067 Ų670%036%0.358CS..EExtended strand (participates in β ladder)trans-94.3133.5169.1-63.2-173.6000109.2D28 P33 V34 V35 V74 Y109 R110 Y112 D153 I154D28-I72 HydrophobicContact CB-CD1 3.49Å; D28-I72 VanDerWaalsContact CB-CD1 3.49Å; D28-I72 HydrophobicContact CB-CG1 4.35Å; P33-I72 PolarHBondContact O-N 3.44Å; V34-I72 CarbonylContact C-O 3.53Å; V34-I72 WeakPolarHBondContact CA-O 3.42Å; V34-I72 HydrophobicContact CG1-CB 4.32Å; V34-I72 HydrophobicContact CG1-CG2 4.2Å; V34-I72 HydrophobicContact CG2-CB 4.27Å; V35-I72 PolarHBondContact N-O 3.19Å; I72-V74 HydrophobicContact CG2-CG2 4.28Å; I72-Y109 HydrophobicContact CD1-CD1 4.08Å; I72-Y109 HydrophobicContact CD1-CE1 4.44Å; I72-Y109 HydrophobicContact CG1-CD1 3.81Å; I72-R110 WeakPolarHBondContact CA-O 2.99Å; I72-R110 HydrophobicContact CG1-CB 4.47Å; I72-Y112 HydrophobicContact CG2-CD2 3.76Å; I72-Y112 HydrophobicContact CG2-CE2 4Å; I72-D153 HydrophobicContact CD1-CB 3.76Å; I72-I154 HydrophobicContact CD1-CG1 4.31Å
73Y91.7Very high72.7Confident44 Ų4470 Ų7017%0.17337%0.371CS..EExtended strand (participates in β ladder)trans-113.9131.1176-71.5-101.6000109.2V35 F37 L108 R110 L111 Y112V35-Y73 HydrophobicContact CB-CD1 4.14Å; V35-Y73 HydrophobicContact CB-CE1 4.21Å; V35-Y73 HydrophobicContact CG1-CD1 4.46Å; V35-Y73 HydrophobicContact CG1-CE1 4.4Å; V35-Y73 HydrophobicContact CG2-CE1 4.42Å; V35-Y73 CarbonylContact O-C 3.48Å; V35-Y73 WeakPolarHBondContact O-CA 3.45Å; F37-Y73 HydrophobicContact CD2-CD1 4.23Å; F37-Y73 AromaticContact CE2-CD1 3.46Å; F37-Y73 HydrophobicContact CE2-CD1 3.46Å; F37-Y73 VanDerWaalsContact CE2-CD1 3.46Å; F37-Y73 AromaticContact CE2-CE1 3.85Å; F37-Y73 HydrophobicContact CE2-CE1 3.85Å; F37-Y73 HydrophobicContact CZ-CD1 4.28Å; F37-Y73 HydrophobicContact CZ-CE1 4.27Å; Y73-L108 HydrophobicContact CD2-CD1 3.35Å; Y73-L108 HydrophobicContact CE2-CD1 3.97Å; Y73-L108 HydrophobicContact CG-CD1 4.16Å; Y73-R110 PolarHBondContact N-O 3.29Å; Y73-L111 HydrophobicContact CG-CD1 4.49Å; Y73-L111 CarbonylContact O-C 3.59Å; Y73-L111 WeakPolarHBondContact O-CA 3.46Å; Y73-Y112 PolarHBondContact O-N 3.27Å
74V94.7Very high74.7Confident0 Ų064.4 Ų64.40%035%0.345CS..EExtended strand (participates in β ladder)trans-119105.2176.7-176.80000108.5V34 V35 Y36 F37 I72 Y112 I114 L150V34-V74 HydrophobicContact CG1-CG2 3.96Å; V35-V74 PolarHBondContact O-N 3.19Å; Y36-V74 CarbonylContact C-O 3.48Å; Y36-V74 WeakPolarHBondContact CA-O 3.39Å; Y36-V74 HydrophobicContact CD1-CB 3.72Å; Y36-V74 HydrophobicContact CD1-CG1 4Å; Y36-V74 HydrophobicContact CD1-CG2 4.21Å; Y36-V74 HydrophobicContact CE1-CB 3.99Å; Y36-V74 HydrophobicContact CE1-CG1 4.21Å; Y36-V74 HydrophobicContact CE1-CG2 3.98Å; F37-V74 PolarHBondContact N-O 3.07Å; I72-V74 HydrophobicContact CG2-CG2 4.28Å; V74-Y112 CarbonylContact C-O 3.31Å; V74-Y112 WeakPolarHBondContact CA-O 3.48Å; V74-I114 HydrophobicContact CG1-CD1 3.79Å; V74-I114 HydrophobicContact CG1-CG1 4.24Å; V74-I114 HydrophobicContact CG1-CG2 4.41Å; V74-L150 HydrophobicContact CG1-CD2 4.41Å; V74-L150 HydrophobicContact CG2-CD2 4.11Å
75I93.7Very high76.3Confident27 Ų2759.3 Ų59.314%0.13833%0.329CS..EExtended strand (participates in β ladder)trans-93.9112.1174.1-59.9179.6000108.3F37 F39 M77 L111 Y112 I113 I114F37-I75 HydrophobicContact CB-CG1 4.22Å; F39-I75 HydrophobicContact CB-CG2 3.95Å; F39-I75 HydrophobicContact CG-CG2 4.33Å; I75-M77 HydrophobicContact CG2-CG 4.14Å; I75-M77 HydrophobicContact CG2-SD 3.55Å; I75-M77 VanDerWaalsContact CG2-SD 3.55Å; I75-L111 HydrophobicContact CD1-CD1 3.71Å; I75-L111 HydrophobicContact CD1-CD2 4.33Å; I75-L111 HydrophobicContact CD1-CG 4.48Å; I75-L111 HydrophobicContact CG1-CD1 3.83Å; I75-Y112 PolarHBondContact N-O 2.92Å; I75-I113 HydrophobicContact CB-CG1 4.5Å; I75-I113 WeakPolarHBondContact O-CA 3.32Å; I75-I114 PolarHBondContact O-N 2.9Å
76D95Very high78.2Confident7 Ų757.4 Ų57.44%0.03730%0.301CS..EExtended strand (participates in β ladder)trans-89.1111.2172.8-175.53.2000110.4F37 F39 Q78 I114 N115 Y163F37-D76 PolarHBondContact O-N 3.41Å; F39-D76 WeakPolarHBondContact CB-O 3.15Å; F39-D76 PolarHBondContact N-O 3.26Å; D76-Q78 VanDerWaalsContact C-N 3.31Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.48Å; D76-Q78 PolarHBondContact OD1-N 3.17Å; D76-I114 HydrophobicContact CB-CD1 4.02Å; D76-I114 HydrophobicContact CB-CG1 3.93Å; D76-N115 PolarHBondContact OD1-ND2 3.34Å; D76-Y163 HydrophobicContact CB-CE1 4.14Å
77M93.5Very high79.5Confident8 Ų856.5 Ų56.54%0.03929%0.289CS..  trans-89.46.2-179.1-61.3-63.8-75.600112.9F39 I75 G79 I80 I113 I114 F120 F123F39-M77 HydrophobicContact CB-SD 4.09Å; F39-M77 HydrophobicContact CD1-SD 4.11Å; F39-M77 HydrophobicContact CG-SD 4.4Å; I75-M77 HydrophobicContact CG2-CG 4.14Å; I75-M77 HydrophobicContact CG2-SD 3.55Å; I75-M77 VanDerWaalsContact CG2-SD 3.55Å; M77-G79 PolarHBondContact O-N 2.86Å; M77-I80 HydrophobicContact CB-CG1 4.11Å; M77-I80 HydrophobicContact CE-CB 4.17Å; M77-I80 HydrophobicContact CE-CD1 4.27Å; M77-I80 HydrophobicContact CE-CG1 3.71Å; M77-I80 HydrophobicContact CE-CG2 3.92Å; M77-I80 VanDerWaalsContact O-CB 3.25Å; M77-I80 WeakPolarHBondContact O-CB 3.37Å; M77-I80 VanDerWaalsContact O-CG1 3.25Å; M77-I80 WeakPolarHBondContact O-CG1 3.31Å; M77-I80 PolarHBondContact O-N 2.8Å; M77-I80 HydrophobicContact SD-CG1 3.98Å; M77-I113 HydrophobicContact CG-CG2 3.52Å; M77-I113 HydrophobicContact SD-CG2 4.49Å; M77-I114 WeakPolarHBondContact CB-O 3.49Å; M77-I114 PolarHBondContact N-O 2.77Å; M77-F120 HydrophobicContact CE-CD2 4.15Å; M77-F123 HydrophobicContact CE-CD2 4.49Å
78Q93.3Very high80.5Confident106 Ų10651 Ų5150%0.49526%0.255SS..THydrogen-bonded Turntrans-59.2126.1175.2-174.7171.919.700110.8G40 D76 N115G40-Q78 VanDerWaalsContact CA-O 3.25Å; G40-Q78 WeakPolarHBondContact CA-O 3.49Å; D76-Q78 VanDerWaalsContact C-N 3.31Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.48Å; D76-Q78 PolarHBondContact OD1-N 3.17Å; Q78-N115 HydrophobicContact CB-CB 3.93Å
79G89.8Confident81.4Confident49 Ų4948.2 Ų48.251%0.50524%0.243SC..THydrogen-bonded Turntrans90.5-6-17800000114.4M77 S81 H84M77-G79 PolarHBondContact O-N 2.86Å; G79-S81 PolarHBondContact O-N 2.91Å; G79-H84 PolarHBondContact O-CE1 3.45Å
80I87.5Confident81.6Confident15 Ų1540.7 Ų40.78%0.07722%0.215CC..  trans-62.6137.1173.2-66.3-72000110.7F39 M77 H84 P117 I119 F123F39-I80 HydrophobicContact CB-CD1 4.22Å; F39-I80 HydrophobicContact CD1-CD1 3.53Å; F39-I80 HydrophobicContact CD1-CG1 4.45Å; F39-I80 HydrophobicContact CE1-CD1 4.39Å; F39-I80 HydrophobicContact CG-CD1 4.3Å; M77-I80 HydrophobicContact CB-CG1 4.11Å; M77-I80 HydrophobicContact CE-CB 4.17Å; M77-I80 HydrophobicContact CE-CD1 4.27Å; M77-I80 HydrophobicContact CE-CG1 3.71Å; M77-I80 HydrophobicContact CE-CG2 3.92Å; M77-I80 VanDerWaalsContact O-CB 3.25Å; M77-I80 WeakPolarHBondContact O-CB 3.37Å; M77-I80 VanDerWaalsContact O-CG1 3.25Å; M77-I80 WeakPolarHBondContact O-CG1 3.31Å; M77-I80 PolarHBondContact O-N 2.8Å; M77-I80 HydrophobicContact SD-CG1 3.98Å; I80-H84 HydrophobicContact CD1-CB 4.24Å; I80-P117 HydrophobicContact CB-CG 4.2Å; I80-P117 HydrophobicContact CG2-CG 4.31Å; I80-I119 HydrophobicContact CG2-CG2 4.06Å; I80-F123 HydrophobicContact CG2-CD2 4.21Å; I80-F123 HydrophobicContact CG2-CE2 3.5Å; I80-F123 VanDerWaalsContact CG2-CE2 3.5Å; I80-F123 HydrophobicContact CG2-CZ 3.93Å
81S82.7Confident80.7Confident48 Ų4840.4 Ų40.434%0.33621%0.214SC..  trans-157176.9-175.470.30000110.4G79 K83 H84G79-S81 PolarHBondContact O-N 2.91Å; S81-K83 PolarHBondContact O-N 2.95Å; S81-K83 WeakPolarHBondContact OG-CG 3.47Å; S81-H84 PolarHBondContact N-ND1 3.03Å; S81-H84 VanDerWaalsContact N-ND1 3.14Å; S81-H84 PolarHBondContact O-N 3.32Å; S81-H84 PolarHBondContact O-ND1 3.11Å; S81-H84 VanDerWaalsContact O-ND1 3.16Å
82Q75.4Confident79.6Confident146 Ų14640.2 Ų40.268%0.68221%0.212SC*.G310 helixtrans-55.2-26.8-177.1-65.2-179.9400113.8H84 L85 I119Q82-H84 PolarHBondContact O-N 2.74Å; Q82-H84 VanDerWaalsContact O-N 3.15Å; Q82-L85 WeakPolarHBondContact O-CB 3.45Å; Q82-L85 PolarHBondContact O-N 2.79Å; Q82-I119 HydrophobicContact CB-CD1 4.39Å; Q82-I119 HydrophobicContact CG-CD1 3.76Å
83K77.8Confident78.6Confident119 Ų11943.1 Ų43.152%0.51722%0.224SC..G310 helixtrans-58.1-28.917676.7-175.6178.8167.40112.8P44 S81 L85 W86P44-K83 HydrophobicContact CG-CG 4.27Å; P44-K83 VanDerWaalsContact CG-O 3.29Å; P44-K83 WeakPolarHBondContact CG-O 3.21Å; S81-K83 PolarHBondContact O-N 2.95Å; S81-K83 WeakPolarHBondContact OG-CG 3.47Å; K83-L85 VanDerWaalsContact C-N 3.33Å; K83-W86 WeakPolarHBondContact O-CB 3.27Å
84H78.9Confident77.5Confident12 Ų1242 Ų426%0.05622%0.223CC..G310 helixtrans-83.3-8.9-179.2-52.890.6000113G40 I42 G79 I80 S81 Q82 W86 F123G40-H84 PolarHBondContact O-NE2 2.79Å; I42-H84 PolarHBondContact O-NE2 2.91Å; G79-H84 PolarHBondContact O-CE1 3.45Å; I80-H84 HydrophobicContact CD1-CB 4.24Å; S81-H84 PolarHBondContact N-ND1 3.03Å; S81-H84 VanDerWaalsContact N-ND1 3.14Å; S81-H84 PolarHBondContact O-N 3.32Å; S81-H84 PolarHBondContact O-ND1 3.11Å; S81-H84 VanDerWaalsContact O-ND1 3.16Å; Q82-H84 PolarHBondContact O-N 2.74Å; Q82-H84 VanDerWaalsContact O-N 3.15Å; H84-W86 PolarHBondContact O-N 3.17Å; H84-F123 HydrophobicContact CB-CE1 4.1Å; H84-F123 HydrophobicContact CB-CZ 3.74Å; H84-F123 WeakPolarHBondContact O-CE1 3.45Å
85L72.3Confident76Confident50 Ų5046.7 Ų46.726%0.26225%0.245SC..G310 helixtrans-74.919.1167.5-65.4175.1000112.1Q82 K83 K87 L90 I119 V122 F123 I126Q82-L85 WeakPolarHBondContact O-CB 3.45Å; Q82-L85 PolarHBondContact O-N 2.79Å; K83-L85 VanDerWaalsContact C-N 3.33Å; L85-K87 PolarHBondContact O-N 3.33Å; L85-K87 VanDerWaalsContact O-N 3.16Å; L85-L90 HydrophobicContact CB-CD1 4.43Å; L85-L90 HydrophobicContact CD2-CD1 4.31Å; L85-I119 HydrophobicContact CD1-CD1 3.88Å; L85-I119 HydrophobicContact CD1-CG1 4.35Å; L85-I119 HydrophobicContact CG-CD1 4.33Å; L85-V122 HydrophobicContact CD1-CG1 4.15Å; L85-V122 HydrophobicContact CD2-CB 4.42Å; L85-V122 HydrophobicContact CD2-CG1 3.79Å; L85-F123 HydrophobicContact CD2-CD1 4.03Å; L85-F123 HydrophobicContact CD2-CD2 4.15Å; L85-F123 HydrophobicContact CD2-CE1 3.64Å; L85-F123 HydrophobicContact CD2-CE2 3.76Å; L85-F123 HydrophobicContact CD2-CG 4.26Å; L85-F123 HydrophobicContact CD2-CZ 3.46Å; L85-F123 VanDerWaalsContact CD2-CZ 3.46Å; L85-F123 HydrophobicContact CG-CE1 4.31Å; L85-F123 HydrophobicContact CG-CE2 4.15Å; L85-F123 HydrophobicContact CG-CZ 3.76Å; L85-I126 HydrophobicContact CD2-CD1 4.06Å
86W70.6Confident74.7Confident29 Ų2947.2 Ų47.211%0.1125%0.248CC..  trans-67.2113.3177.4-174.262.8000109.7P44 E47 K83 H84 P88 G89 L90 F192 V269P44-W86 HydrophobicContact CB-CB 3.91Å; P44-W86 HydrophobicContact CB-CE3 4.28Å; P44-W86 WeakPolarHBondContact O-CZ3 3.38Å; E47-W86 HydrophobicContact CB-CH2 3.55Å; E47-W86 HydrophobicContact CB-CZ3 3.64Å; E47-W86 HydrophobicContact CG-CH2 3.85Å; E47-W86 HydrophobicContact CG-CZ3 3.73Å; E47-W86 WeakPolarHBondContact OE2-CH2 3.45Å; K83-W86 WeakPolarHBondContact O-CB 3.27Å; H84-W86 PolarHBondContact O-N 3.17Å; W86-P88 HydrophobicContact CD2-CB 4.45Å; W86-P88 HydrophobicContact CD2-CG 4.23Å; W86-P88 HydrophobicContact CE3-CB 4.21Å; W86-P88 HydrophobicContact CE3-CG 4.48Å; W86-P88 HydrophobicContact CH2-CB 3.75Å; W86-P88 HydrophobicContact CH2-CG 4.02Å; W86-P88 HydrophobicContact CZ2-CB 3.96Å; W86-P88 HydrophobicContact CZ2-CG 3.68Å; W86-P88 HydrophobicContact CZ3-CB 3.85Å; W86-P88 HydrophobicContact CZ3-CG 4.37Å; W86-G89 VanDerWaalsContact CE3-N 3.25Å; W86-G89 WeakPolarHBondContact O-CA 3.06Å; W86-G89 PolarHBondContact O-N 3.41Å; W86-G89 VanDerWaalsContact O-N 3.1Å; W86-L90 PolarHBondContact O-N 2.71Å; W86-F192 HydrophobicContact CH2-CB 3.85Å; W86-F192 HydrophobicContact CH2-CD1 4.16Å; W86-F192 HydrophobicContact CH2-CD2 4.29Å; W86-F192 AromaticContact CH2-CG 3.82Å; W86-F192 HydrophobicContact CH2-CG 3.82Å; W86-F192 HydrophobicContact CZ2-CB 4.18Å; W86-F192 AromaticContact CZ2-CD1 3.76Å; W86-F192 HydrophobicContact CZ2-CD1 3.76Å; W86-F192 HydrophobicContact CZ2-CE1 4.33Å; W86-F192 AromaticContact CZ2-CG 3.92Å; W86-F192 HydrophobicContact CZ2-CG 3.92Å; W86-V269 HydrophobicContact CG-CG2 4.22Å
87K64.9Low73.5Confident51 Ų5147.9 Ų47.922%0.22225%0.252CS..Hα-helixtrans-55.2-47.5-166.7-169.8-176.6-174.8-139.80114.8L85 G89 L90 E91 V269 E271L85-K87 PolarHBondContact O-N 3.33Å; L85-K87 VanDerWaalsContact O-N 3.16Å; K87-G89 VanDerWaalsContact C-N 3.25Å; K87-G89 PolarHBondContact O-N 3.23Å; K87-L90 CarbonylContact O-C 3.45Å; K87-L90 WeakPolarHBondContact O-CA 3.4Å; K87-L90 WeakPolarHBondContact O-CB 3.47Å; K87-L90 PolarHBondContact O-N 3.15Å; K87-E91 WeakPolarHBondContact CE-OE1 3.33Å; K87-E91 HydrophobicContact CG-CG 4.25Å; K87-E91 IonicContact NZ-OE1 2.66Å; K87-E91 PolarHBondContact NZ-OE1 3.2Å; K87-E91 WeakPolarHBondContact O-CG 3.33Å; K87-E91 PolarHBondContact O-N 2.89Å; K87-V269 HydrophobicContact CB-CB 4.13Å; K87-V269 HydrophobicContact CB-CG1 4.47Å; K87-V269 HydrophobicContact CB-CG2 4.08Å; K87-E271 IonicContact NZ-OE1 3.44Å; K87-E271 IonicContact NZ-OE2 2.75Å; K87-E271 PolarHBondContact NZ-OE2 3.21Å
88P59.7Low72.2Confident7 Ų749 Ų495%0.04526%0.26CS..Hα-helixtrans-60.4-39.1179.4-23.334.8000111.5E47 W86 E91 V92 V269E47-P88 WeakPolarHBondContact OE2-CB 3.4Å; W86-P88 HydrophobicContact CD2-CB 4.45Å; W86-P88 HydrophobicContact CD2-CG 4.23Å; W86-P88 HydrophobicContact CE3-CB 4.21Å; W86-P88 HydrophobicContact CE3-CG 4.48Å; W86-P88 HydrophobicContact CH2-CB 3.75Å; W86-P88 HydrophobicContact CH2-CG 4.02Å; W86-P88 HydrophobicContact CZ2-CB 3.96Å; W86-P88 HydrophobicContact CZ2-CG 3.68Å; W86-P88 HydrophobicContact CZ3-CB 3.85Å; W86-P88 HydrophobicContact CZ3-CG 4.37Å; P88-E91 PolarHBondContact O-N 2.94Å; P88-V92 VanDerWaalsContact O-CG2 3.32Å; P88-V92 WeakPolarHBondContact O-CG2 3.26Å; P88-V92 PolarHBondContact O-N 3.36Å; P88-V269 HydrophobicContact CG-CG1 3.44Å; P88-V269 VanDerWaalsContact CG-CG1 3.44Å
89G65.3Low70.6Confident24 Ų2445 Ų4525%0.24724%0.244CC..Hα-helixtrans-61.9-42.7172.200000112.7W86 K87 F93W86-G89 VanDerWaalsContact CE3-N 3.25Å; W86-G89 WeakPolarHBondContact O-CA 3.06Å; W86-G89 PolarHBondContact O-N 3.41Å; W86-G89 VanDerWaalsContact O-N 3.1Å; K87-G89 VanDerWaalsContact C-N 3.25Å; K87-G89 PolarHBondContact O-N 3.23Å; G89-F93 VanDerWaalsContact O-CB 3.24Å; G89-F93 WeakPolarHBondContact O-CB 3.39Å; G89-F93 PolarHBondContact O-N 3.04Å
90L68.1Low69.3Low20 Ų2046 Ų4611%0.10524%0.237CC..Hα-helixtrans-66.8-35.9175.8-70.7172.8000113.2L85 W86 K87 S94 F123 I126L85-L90 HydrophobicContact CB-CD1 4.43Å; L85-L90 HydrophobicContact CD2-CD1 4.31Å; W86-L90 PolarHBondContact O-N 2.71Å; K87-L90 CarbonylContact O-C 3.45Å; K87-L90 WeakPolarHBondContact O-CA 3.4Å; K87-L90 WeakPolarHBondContact O-CB 3.47Å; K87-L90 PolarHBondContact O-N 3.15Å; L90-S94 VanDerWaalsContact O-CB 3.28Å; L90-S94 WeakPolarHBondContact O-CB 3.24Å; L90-S94 PolarHBondContact O-N 3.44Å; L90-S94 PolarHBondContact O-OG 3.4Å; L90-F123 HydrophobicContact CD2-CD1 3.76Å; L90-F123 HydrophobicContact CD2-CE1 3.78Å; L90-I126 HydrophobicContact CD1-CD1 3.72Å; L90-I126 HydrophobicContact CD2-CD1 4.42Å
91E63.1Low68.3Low73 Ų7346.6 Ų46.634%0.34124%0.24SC..Hα-helixtrans-68.9-47.9176.8-74.1172.9170.200110.9K87 P88 F93 S94 Q95K87-E91 WeakPolarHBondContact CE-OE1 3.33Å; K87-E91 HydrophobicContact CG-CG 4.25Å; K87-E91 IonicContact NZ-OE1 2.66Å; K87-E91 PolarHBondContact NZ-OE1 3.2Å; K87-E91 WeakPolarHBondContact O-CG 3.33Å; K87-E91 PolarHBondContact O-N 2.89Å; P88-E91 PolarHBondContact O-N 2.94Å; E91-F93 VanDerWaalsContact C-N 3.29Å; E91-F93 PolarHBondContact O-N 2.98Å; E91-S94 PolarHBondContact O-N 3.25Å; E91-Q95 WeakPolarHBondContact O-CB 3.27Å; E91-Q95 VanDerWaalsContact O-CG 3.29Å; E91-Q95 WeakPolarHBondContact O-CG 3.47Å; E91-Q95 PolarHBondContact O-N 3.22Å
92V62.9Low67.4Low10 Ų1051.4 Ų51.46%0.06126%0.257CS..Hα-helixtrans-59.6-43.3173.6174.50000110.3C50 P88 Q95 I96C50-V92 HydrophobicContact CB-CG1 3.84Å; P88-V92 VanDerWaalsContact O-CG2 3.32Å; P88-V92 WeakPolarHBondContact O-CG2 3.26Å; P88-V92 PolarHBondContact O-N 3.36Å; V92-Q95 PolarHBondContact O-N 2.9Å; V92-I96 HydrophobicContact CG1-CD1 3.99Å; V92-I96 VanDerWaalsContact O-CG1 3.29Å; V92-I96 WeakPolarHBondContact O-CG1 3.34Å; V92-I96 PolarHBondContact O-N 3.36Å
93F69.9Low66.3Low60 Ų6048.7 Ų48.726%0.26324%0.244SC..Hα-helixtrans-61.1-45.4175-177.1-111000112.3F39 G89 E91 Q95 I96 V97 V127F39-F93 HydrophobicContact CE2-CD2 4.14Å; F39-F93 AromaticContact CE2-CE2 3.76Å; F39-F93 HydrophobicContact CE2-CE2 3.76Å; F39-F93 HydrophobicContact CE2-CZ 4.32Å; F39-F93 AromaticContact CZ-CD2 3.9Å; F39-F93 HydrophobicContact CZ-CD2 3.9Å; F39-F93 AromaticContact CZ-CE2 3.76Å; F39-F93 HydrophobicContact CZ-CE2 3.76Å; F39-F93 HydrophobicContact CZ-CG 4.36Å; F39-F93 HydrophobicContact CZ-CZ 4.09Å; G89-F93 VanDerWaalsContact O-CB 3.24Å; G89-F93 WeakPolarHBondContact O-CB 3.39Å; G89-F93 PolarHBondContact O-N 3.04Å; E91-F93 VanDerWaalsContact C-N 3.29Å; E91-F93 PolarHBondContact O-N 2.98Å; F93-Q95 VanDerWaalsContact C-N 3.3Å; F93-Q95 PolarHBondContact O-N 3.5Å; F93-I96 PolarHBondContact O-N 3.43Å; F93-V97 HydrophobicContact CD1-CG2 4.26Å; F93-V97 HydrophobicContact CE1-CG2 3.92Å; F93-V97 HydrophobicContact CE2-CG2 4.17Å; F93-V97 HydrophobicContact CZ-CG2 3.86Å; F93-V97 WeakPolarHBondContact O-CG2 3.32Å; F93-V97 PolarHBondContact O-N 2.8Å; F93-V127 HydrophobicContact CD1-CG1 3.91Å; F93-V127 HydrophobicContact CE1-CG1 3.75Å
94S68.4Low65.4Low20 Ų2043.4 Ų43.414%0.1422%0.223CC..Hα-helixtrans-64.4-35.7178.3-59.50000111.8L90 E91 S98L90-S94 VanDerWaalsContact O-CB 3.28Å; L90-S94 WeakPolarHBondContact O-CB 3.24Å; L90-S94 PolarHBondContact O-N 3.44Å; L90-S94 PolarHBondContact O-OG 3.4Å; E91-S94 PolarHBondContact O-N 3.25Å; S94-S98 VanDerWaalsContact O-CB 3.31Å; S94-S98 WeakPolarHBondContact O-CB 3.28Å; S94-S98 PolarHBondContact O-N 2.78Å; S94-S98 PolarHBondContact O-OG 3.16Å
95Q63.8Low64.3Low100 Ų10045.3 Ų45.347%0.46724%0.236SC..Hα-helixtrans-65.4-43.6172.7-73.3173.210.400111.6E91 V92 F93 S98 C99E91-Q95 WeakPolarHBondContact O-CB 3.27Å; E91-Q95 VanDerWaalsContact O-CG 3.29Å; E91-Q95 WeakPolarHBondContact O-CG 3.47Å; E91-Q95 PolarHBondContact O-N 3.22Å; V92-Q95 PolarHBondContact O-N 2.9Å; F93-Q95 VanDerWaalsContact C-N 3.3Å; F93-Q95 PolarHBondContact O-N 3.5Å; Q95-S98 PolarHBondContact O-N 3.46Å; Q95-C99 VanDerWaalsContact O-CB 3.28Å; Q95-C99 WeakPolarHBondContact O-CB 3.25Å; Q95-C99 PolarHBondContact O-N 2.83Å
96I65.6Low64.1Low38 Ų3849.9 Ų49.920%0.19526%0.256CS..Hα-helixtrans-60.2-49.8175.2-68.5164.4000109.9V92 F93 S98 C99 L100V92-I96 HydrophobicContact CG1-CD1 3.99Å; V92-I96 VanDerWaalsContact O-CG1 3.29Å; V92-I96 WeakPolarHBondContact O-CG1 3.34Å; V92-I96 PolarHBondContact O-N 3.36Å; F93-I96 PolarHBondContact O-N 3.43Å; I96-S98 PolarHBondContact O-N 3Å; I96-C99 WeakPolarHBondContact O-CB 3.41Å; I96-C99 PolarHBondContact O-N 3.27Å; I96-L100 HydrophobicContact CG2-CD1 4.1Å; I96-L100 HydrophobicContact CG2-CG 4.4Å; I96-L100 VanDerWaalsContact O-CG 3.32Å; I96-L100 WeakPolarHBondContact O-CG 3.33Å; I96-L100 PolarHBondContact O-N 2.91Å
97V69.6Low64.2Low21 Ų2149.3 Ų49.313%0.12726%0.257CS..Hα-helixtrans-59.7-45.7177.5173.20000111F93 C99 L100 E101 V130 L131F93-V97 HydrophobicContact CD1-CG2 4.26Å; F93-V97 HydrophobicContact CE1-CG2 3.92Å; F93-V97 HydrophobicContact CE2-CG2 4.17Å; F93-V97 HydrophobicContact CZ-CG2 3.86Å; F93-V97 WeakPolarHBondContact O-CG2 3.32Å; F93-V97 PolarHBondContact O-N 2.8Å; V97-C99 VanDerWaalsContact C-N 3.28Å; V97-C99 PolarHBondContact O-N 3.49Å; V97-L100 PolarHBondContact O-N 2.91Å; V97-E101 HydrophobicContact CG1-CG 4.33Å; V97-E101 WeakPolarHBondContact O-CG 3.29Å; V97-E101 PolarHBondContact O-N 3.19Å; V97-V130 HydrophobicContact CG1-CG1 3.97Å; V97-L131 HydrophobicContact CG1-CD2 3.46Å; V97-L131 VanDerWaalsContact CG1-CD2 3.46Å
98S66.8Low65.1Low31 Ų3147.6 Ų47.622%0.21725%0.25CS..Hα-helixtrans-58.2-42.7176.6-57.80000111.4S94 Q95 I96 Q102 V130S94-S98 VanDerWaalsContact O-CB 3.31Å; S94-S98 WeakPolarHBondContact O-CB 3.28Å; S94-S98 PolarHBondContact O-N 2.78Å; S94-S98 PolarHBondContact O-OG 3.16Å; Q95-S98 PolarHBondContact O-N 3.46Å; I96-S98 PolarHBondContact O-N 3Å; S98-Q102 WeakPolarHBondContact O-CB 3.31Å; S98-Q102 WeakPolarHBondContact O-CG 3.37Å; S98-Q102 PolarHBondContact O-N 3.33Å; S98-V130 VanDerWaalsContact CA-CG1 3.46Å; S98-V130 WeakPolarHBondContact OG-CG1 3.13Å
99C58.8Low66.5Low23 Ų2350.4 Ų50.416%0.15526%0.26CS..Hα-helixtrans-65.8-42.4178.8-165.20000111.4V58 Q95 I96 V97 Q102 H103V58-C99 HydrophobicContact CG1-CB 4.1Å; V58-C99 WeakPolarHBondContact CG1-SG 3.41Å; Q95-C99 VanDerWaalsContact O-CB 3.28Å; Q95-C99 WeakPolarHBondContact O-CB 3.25Å; Q95-C99 PolarHBondContact O-N 2.83Å; I96-C99 WeakPolarHBondContact O-CB 3.41Å; I96-C99 PolarHBondContact O-N 3.27Å; V97-C99 VanDerWaalsContact C-N 3.28Å; V97-C99 PolarHBondContact O-N 3.49Å; C99-Q102 PolarHBondContact O-N 3.34Å; C99-H103 WeakPolarHBondContact O-CB 3.19Å; C99-H103 PolarHBondContact O-N 2.79Å; C99-H103 PolarHBondContact O-ND1 3.39Å; C99-H103 PolarHBondContact SG-CE1 3.06Å; C99-H103 PolarHBondContact SG-ND1 2.79Å
100L63.1Low67.7Low68 Ų6851.1 Ų51.136%0.35626%0.255SS..Hα-helixtrans-64-45.3176.9-68.3176.6000112.1F62 I96 V97 Q102 A104F62-L100 HydrophobicContact CE2-CD2 4.19Å; F62-L100 HydrophobicContact CZ-CD2 3.76Å; I96-L100 HydrophobicContact CG2-CD1 4.1Å; I96-L100 HydrophobicContact CG2-CG 4.4Å; I96-L100 VanDerWaalsContact O-CG 3.32Å; I96-L100 WeakPolarHBondContact O-CG 3.33Å; I96-L100 PolarHBondContact O-N 2.91Å; V97-L100 PolarHBondContact O-N 2.91Å; L100-Q102 VanDerWaalsContact C-N 3.34Å; L100-Q102 PolarHBondContact O-N 3.47Å; L100-A104 CarbonylContact O-C 3.57Å; L100-A104 WeakPolarHBondContact O-CA 3.3Å; L100-A104 PolarHBondContact O-N 3.29Å
101E66.4Low68.9Low29 Ų2951.3 Ų51.314%0.13626%0.256CS..Hα-helixtrans-62.2-39.7177-71.3-77.8124.900111.8V97 P105 L131 D132 T135V97-E101 HydrophobicContact CG1-CG 4.33Å; V97-E101 WeakPolarHBondContact O-CG 3.29Å; V97-E101 PolarHBondContact O-N 3.19Å; E101-P105 WeakPolarHBondContact O-CB 3.45Å; E101-P105 WeakPolarHBondContact O-CD 3.47Å; E101-L131 HydrophobicContact CG-CD2 4.2Å; E101-D132 PolarHBondContact OE2-N 3.43Å; E101-T135 VanDerWaalsContact OE1-CB 3.25Å; E101-T135 WeakPolarHBondContact OE1-CB 3.3Å; E101-T135 WeakPolarHBondContact OE1-CG2 3.48Å; E101-T135 PolarHBondContact OE1-OG1 3.04Å; E101-T135 PolarHBondContact OE2-OG1 3.33Å
102Q63.1Low70.5Confident148 Ų14847.8 Ų47.869%0.69224%0.24SC*.Hα-helixtrans-74.2-40.1-178.4-73.9172.35.100113.7S98 C99 L100S98-Q102 WeakPolarHBondContact O-CB 3.31Å; S98-Q102 WeakPolarHBondContact O-CG 3.37Å; S98-Q102 PolarHBondContact O-N 3.33Å; C99-Q102 PolarHBondContact O-N 3.34Å; L100-Q102 VanDerWaalsContact C-N 3.34Å; L100-Q102 PolarHBondContact O-N 3.47Å
103H53Low72Confident89 Ų8947.8 Ų47.841%0.41224%0.24SC..Hα-helixtrans-93.5-23.3-173.4-63.588.2000113.2F62 C99F62-H103 HydrophobicContact CB-CB 4.45Å; F62-H103 HydrophobicContact CD1-CB 4Å; F62-H103 HydrophobicContact CD2-CB 3.61Å; F62-H103 AromaticContact CD2-CG 3.86Å; F62-H103 HydrophobicContact CE1-CB 4.13Å; F62-H103 HydrophobicContact CE2-CB 3.73Å; F62-H103 HydrophobicContact CG-CB 3.76Å; F62-H103 HydrophobicContact CZ-CB 3.99Å; C99-H103 WeakPolarHBondContact O-CB 3.19Å; C99-H103 PolarHBondContact O-N 2.79Å; C99-H103 PolarHBondContact O-ND1 3.39Å; C99-H103 PolarHBondContact SG-CE1 3.06Å; C99-H103 PolarHBondContact SG-ND1 2.79Å
104A58.3Low73.3Confident9 Ų945 Ų457%0.07423%0.227CC..  trans-146.255.8-174.900000113.1F62 L100 E106 S107F62-A104 HydrophobicContact CE1-CB 3.67Å; F62-A104 HydrophobicContact CZ-CB 4.09Å; L100-A104 CarbonylContact O-C 3.57Å; L100-A104 WeakPolarHBondContact O-CA 3.3Å; L100-A104 PolarHBondContact O-N 3.29Å; A104-E106 PolarHBondContact O-N 2.74Å; A104-E106 VanDerWaalsContact O-N 3.11Å; A104-S107 WeakPolarHBondContact O-CB 3.17Å; A104-S107 PolarHBondContact O-N 3.47Å; A104-S107 PolarHBondContact O-OG 3.44Å
105P57.1Low74.6Confident52 Ų5245.5 Ų45.534%0.33823%0.229SC..THydrogen-bonded Turntrans-58.7-29.5-175.623.6-33.6000113E101E101-P105 WeakPolarHBondContact O-CB 3.45Å; E101-P105 WeakPolarHBondContact O-CD 3.47Å
106E67.3Low76Confident145 Ų14542 Ų4268%0.67822%0.217SC*.THydrogen-bonded Turntrans-960.9-178.2-60.3-167.1172.300114.2A104 L108A104-E106 PolarHBondContact O-N 2.74Å; A104-E106 VanDerWaalsContact O-N 3.11Å; E106-L108 PolarHBondContact O-N 2.92Å
107S74.1Confident77.2Confident18 Ų1842 Ų4213%0.12622%0.219CC..SBendtrans-69.2-20.5178.964.60000114.2V68 Q70 S71 A104V68-S107 VanDerWaalsContact CG1-CA 3.44Å; Q70-S107 CarbonylContact C-O 3.59Å; Q70-S107 VanDerWaalsContact CA-O 3.29Å; Q70-S107 WeakPolarHBondContact CA-O 3.28Å; S71-S107 PolarHBondContact N-O 3.16Å; A104-S107 WeakPolarHBondContact O-CB 3.17Å; A104-S107 PolarHBondContact O-N 3.47Å; A104-S107 PolarHBondContact O-OG 3.44Å
108L83.2Confident78.1Confident15 Ų1547.4 Ų47.48%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-88.5117.8-178.7-178.160.8000110.2Y73 E106 R110 L111 T135 K138Y73-L108 HydrophobicContact CD2-CD1 3.35Å; Y73-L108 HydrophobicContact CE2-CD1 3.97Å; Y73-L108 HydrophobicContact CG-CD1 4.16Å; E106-L108 PolarHBondContact O-N 2.92Å; L108-R110 WeakPolarHBondContact CD1-O 3.46Å; L108-L111 HydrophobicContact CD1-CB 4.04Å; L108-L111 HydrophobicContact CD2-CB 4.12Å; L108-T135 HydrophobicContact CD2-CG2 3.59Å; L108-K138 HydrophobicContact CB-CD 4.34Å; L108-K138 HydrophobicContact CD2-CB 4.16Å; L108-K138 HydrophobicContact CD2-CD 4.25Å; L108-K138 HydrophobicContact CG-CB 4.36Å; L108-K138 HydrophobicContact CG-CD 4.07Å; L108-K138 VanDerWaalsContact O-CD 3.27Å; L108-K138 WeakPolarHBondContact O-CD 3.14Å; L108-K138 VanDerWaalsContact O-CE 3.31Å; L108-K138 WeakPolarHBondContact O-CE 3.19Å; L108-K138 PolarHBondContact O-NZ 3.23Å
109Y88.4Confident78.9Confident65 Ų6547.4 Ų47.426%0.25525%0.249SC..EExtended strand (participates in β ladder)trans-82.3-55.9165.2178.7-112.8000110.2S71 I72S71-Y109 WeakPolarHBondContact O-CB 3.44Å; S71-Y109 PolarHBondContact O-N 3Å; I72-Y109 HydrophobicContact CD1-CD1 4.08Å; I72-Y109 HydrophobicContact CD1-CE1 4.44Å; I72-Y109 HydrophobicContact CG1-CD1 3.81Å
110R91.6Very high80.2Confident39 Ų3947.1 Ų47.115%0.14725%0.246CC..EExtended strand (participates in β ladder)trans-150.2139.9-178.9-164.7166.6-63.917511.2111.4I72 Y73 L108 Y112 D153I72-R110 WeakPolarHBondContact CA-O 2.99Å; I72-R110 HydrophobicContact CG1-CB 4.47Å; Y73-R110 PolarHBondContact N-O 3.29Å; L108-R110 WeakPolarHBondContact CD1-O 3.46Å; R110-Y112 HydrophobicContact CB-CE2 4.29Å; R110-Y112 VanDerWaalsContact CD-CE2 3.41Å; R110-Y112 VanDerWaalsContact CD-OH 3.32Å; R110-Y112 WeakPolarHBondContact CD-OH 3.06Å; R110-Y112 HydrophobicContact CG-CD2 4.16Å; R110-Y112 HydrophobicContact CG-CE2 3.77Å; R110-Y112 PolarHBondContact NH1-OH 3.21Å; R110-Y112 VanDerWaalsContact NH1-OH 3.17Å; R110-D153 WeakPolarHBondContact CD-OD2 3.49Å; R110-D153 IonicContact CZ-OD1 2.61Å; R110-D153 IonicContact CZ-OD2 2.92Å; R110-D153 IonicContact NE-OD2 3.91Å; R110-D153 PolarHBondContact NE-OD2 3.04Å; R110-D153 IonicContact NH1-OD1 3.84Å; R110-D153 PolarHBondContact NH1-OD1 2.71Å; R110-D153 IonicContact NH1-OD2 2.57Å; R110-D153 PolarHBondContact NH1-OD2 3.18Å; R110-D153 IonicContact NH2-OD1 2.93Å; R110-D153 IonicContact NH2-OD2 2.95Å
111L92.9Very high81.3Confident24 Ų2448.9 Ų48.913%0.12626%0.255CS..EExtended strand (participates in β ladder)trans-113.8111.4173.7178.961.4000109.4Y73 I75 L108 I113 K138 I139 R140Y73-L111 HydrophobicContact CG-CD1 4.49Å; Y73-L111 CarbonylContact O-C 3.59Å; Y73-L111 WeakPolarHBondContact O-CA 3.46Å; I75-L111 HydrophobicContact CD1-CD1 3.71Å; I75-L111 HydrophobicContact CD1-CD2 4.33Å; I75-L111 HydrophobicContact CD1-CG 4.48Å; I75-L111 HydrophobicContact CG1-CD1 3.83Å; L108-L111 HydrophobicContact CD1-CB 4.04Å; L108-L111 HydrophobicContact CD2-CB 4.12Å; L111-I113 HydrophobicContact CD2-CD1 4.45Å; L111-I113 HydrophobicContact CG-CG1 4.24Å; L111-K138 PolarHBondContact N-O 2.7Å; L111-I139 HydrophobicContact CB-CG1 4.34Å; L111-I139 HydrophobicContact CD2-CD1 4.08Å; L111-I139 HydrophobicContact CD2-CG1 3.98Å; L111-I139 HydrophobicContact CD2-CG2 4.37Å; L111-I139 CarbonylContact O-C 3.48Å; L111-I139 WeakPolarHBondContact O-CA 3.25Å; L111-R140 PolarHBondContact O-N 3.34Å
112Y95.6Very high82.1Confident0 Ų050.9 Ų50.90%027%0.269CS..EExtended strand (participates in β ladder)trans-92.2125.7171.1-71.7-80.5000110I72 Y73 V74 I75 R110 R140 L142 A149 L150 D153I72-Y112 HydrophobicContact CG2-CD2 3.76Å; I72-Y112 HydrophobicContact CG2-CE2 4Å; Y73-Y112 PolarHBondContact O-N 3.27Å; V74-Y112 CarbonylContact C-O 3.31Å; V74-Y112 WeakPolarHBondContact CA-O 3.48Å; I75-Y112 PolarHBondContact N-O 2.92Å; R110-Y112 HydrophobicContact CB-CE2 4.29Å; R110-Y112 VanDerWaalsContact CD-CE2 3.41Å; R110-Y112 VanDerWaalsContact CD-OH 3.32Å; R110-Y112 WeakPolarHBondContact CD-OH 3.06Å; R110-Y112 HydrophobicContact CG-CD2 4.16Å; R110-Y112 HydrophobicContact CG-CE2 3.77Å; R110-Y112 PolarHBondContact NH1-OH 3.21Å; R110-Y112 VanDerWaalsContact NH1-OH 3.17Å; Y112-R140 HydrophobicContact CD1-CB 3.96Å; Y112-R140 HydrophobicContact CE1-CB 4.2Å; Y112-L142 HydrophobicContact CD1-CD1 3.67Å; Y112-L142 HydrophobicContact CE1-CD1 4.14Å; Y112-A149 HydrophobicContact CE1-CB 4.33Å; Y112-A149 WeakPolarHBondContact CE1-O 3.44Å; Y112-A149 PolarHBondContact OH-O 2.8Å; Y112-L150 HydrophobicContact CD1-CD2 3.87Å; Y112-L150 HydrophobicContact CD2-CD2 3.81Å; Y112-L150 HydrophobicContact CE1-CD2 4.28Å; Y112-L150 HydrophobicContact CE2-CD2 4.26Å; Y112-L150 HydrophobicContact CG-CD2 3.58Å; Y112-D153 VanDerWaalsContact OH-CG 3.31Å; Y112-D153 PolarHBondContact OH-OD2 3.41Å
113I95.8Very high82.9Confident10 Ų1044.7 Ų44.75%0.05124%0.24CC..EExtended strand (participates in β ladder)trans-110.3106.2170.2-55.4-175.2000106.2I75 M77 L111 A116 F120 I139 R140 V141 L142I75-I113 HydrophobicContact CB-CG1 4.5Å; I75-I113 WeakPolarHBondContact O-CA 3.32Å; M77-I113 HydrophobicContact CG-CG2 3.52Å; M77-I113 HydrophobicContact SD-CG2 4.49Å; L111-I113 HydrophobicContact CD2-CD1 4.45Å; L111-I113 HydrophobicContact CG-CG1 4.24Å; I113-A116 HydrophobicContact CG2-CB 4.21Å; I113-F120 HydrophobicContact CD1-CE2 3.46Å; I113-F120 VanDerWaalsContact CD1-CE2 3.46Å; I113-F120 HydrophobicContact CD1-CZ 3.58Å; I113-F120 HydrophobicContact CG2-CD2 4.05Å; I113-F120 HydrophobicContact CG2-CE2 3.86Å; I113-F120 HydrophobicContact CG2-CZ 4.39Å; I113-I139 HydrophobicContact CD1-CG2 3.63Å; I113-I139 HydrophobicContact CG1-CG2 4.05Å; I113-R140 PolarHBondContact N-O 3.38Å; I113-V141 HydrophobicContact CB-CG2 4.49Å; I113-V141 HydrophobicContact CD1-CG2 4.38Å; I113-L142 PolarHBondContact O-N 3.12Å
114I97Very high84.4Confident0 Ų042.8 Ų42.80%023%0.23CC..EExtended strand (participates in β ladder)trans-106.4159.6-17467.1173.3000110.9V74 I75 D76 M77 A116 L142 Y146 L150 Y163V74-I114 HydrophobicContact CG1-CD1 3.79Å; V74-I114 HydrophobicContact CG1-CG1 4.24Å; V74-I114 HydrophobicContact CG1-CG2 4.41Å; I75-I114 PolarHBondContact O-N 2.9Å; D76-I114 HydrophobicContact CB-CD1 4.02Å; D76-I114 HydrophobicContact CB-CG1 3.93Å; M77-I114 WeakPolarHBondContact CB-O 3.49Å; M77-I114 PolarHBondContact N-O 2.77Å; I114-A116 PolarHBondContact O-N 2.94Å; I114-A116 VanDerWaalsContact O-N 3.14Å; I114-L142 HydrophobicContact CG2-CD1 4.3Å; I114-Y146 HydrophobicContact CB-CD1 3.94Å; I114-Y146 HydrophobicContact CB-CD2 3.98Å; I114-Y146 HydrophobicContact CB-CG 3.64Å; I114-Y146 HydrophobicContact CD1-CD2 3.89Å; I114-Y146 HydrophobicContact CD1-CE1 4.47Å; I114-Y146 HydrophobicContact CD1-CE2 3.7Å; I114-Y146 HydrophobicContact CD1-CG 4.36Å; I114-Y146 HydrophobicContact CG2-CD2 3.85Å; I114-Y146 HydrophobicContact CG2-CG 3.74Å; I114-L150 HydrophobicContact CG2-CD2 4.39Å; I114-Y163 HydrophobicContact CD1-CD1 3.61Å; I114-Y163 HydrophobicContact CD1-CE1 3.61Å
115N95.9Very high85.6Confident32 Ų3248 Ų4817%0.17125%0.252CS..SBendtrans52.932.4-175.5-63.1-51.4000112.3D76 Q78 P117 L142 G143 Y146D76-N115 PolarHBondContact OD1-ND2 3.34Å; Q78-N115 HydrophobicContact CB-CB 3.93Å; N115-P117 WeakPolarHBondContact O-CD 2.97Å; N115-P117 VanDerWaalsContact O-N 3.12Å; N115-L142 PolarHBondContact N-O 3.24Å; N115-G143 WeakPolarHBondContact CA-O 3.36Å; N115-G143 PolarHBondContact N-O 3.42Å; N115-Y146 WeakPolarHBondContact OD1-CE1 3.35Å
116A93Very high86.6Confident26 Ų2648.5 Ų48.522%0.21525%0.252CS..  trans-64.8111.7-172.300000110.9I113 I114 F120 V141 L142I113-A116 HydrophobicContact CG2-CB 4.21Å; I114-A116 PolarHBondContact O-N 2.94Å; I114-A116 VanDerWaalsContact O-N 3.14Å; A116-F120 HydrophobicContact CB-CB 4.28Å; A116-F120 HydrophobicContact CB-CD1 4.48Å; A116-F120 HydrophobicContact CB-CG 4.27Å; A116-V141 HydrophobicContact CB-CG1 3.61Å; A116-L142 WeakPolarHBondContact CB-O 3.24Å; A116-L142 PolarHBondContact N-O 3.13Å; A116-L142 VanDerWaalsContact N-O 3.08Å
117P90.2Very high87.2Confident39 Ų3942.5 Ų42.525%0.25323%0.225SC..  trans-75.8166.6176.733.1-36.2000110.8I80 N115 I119 F120I80-P117 HydrophobicContact CB-CG 4.2Å; I80-P117 HydrophobicContact CG2-CG 4.31Å; N115-P117 WeakPolarHBondContact O-CD 2.97Å; N115-P117 VanDerWaalsContact O-N 3.12Å; P117-I119 HydrophobicContact CB-CG2 4.04Å; P117-I119 HydrophobicContact CG-CG2 3.58Å; P117-I119 PolarHBondContact O-N 2.84Å; P117-I119 VanDerWaalsContact O-N 3.1Å; P117-F120 WeakPolarHBondContact O-CB 3.28Å; P117-F120 PolarHBondContact O-N 2.86Å
118T88.3Confident87.6Confident133 Ų13345.3 Ų45.382%0.81624%0.235SC*.THydrogen-bonded Turntrans-56.3-32.1177.8530000113.6F120 N121T118-F120 PolarHBondContact O-N 3.43Å; T118-N121 PolarHBondContact O-N 3.34Å
119I83.9Confident87.5Confident31 Ų3149.5 Ų49.516%0.15926%0.263CS..THydrogen-bonded Turntrans-65.6-17.9175.7-164.8170.6000113.1I80 Q82 L85 P117 N121 V122 F123I80-I119 HydrophobicContact CG2-CG2 4.06Å; Q82-I119 HydrophobicContact CB-CD1 4.39Å; Q82-I119 HydrophobicContact CG-CD1 3.76Å; L85-I119 HydrophobicContact CD1-CD1 3.88Å; L85-I119 HydrophobicContact CD1-CG1 4.35Å; L85-I119 HydrophobicContact CG-CD1 4.33Å; P117-I119 HydrophobicContact CB-CG2 4.04Å; P117-I119 HydrophobicContact CG-CG2 3.58Å; P117-I119 PolarHBondContact O-N 2.84Å; P117-I119 VanDerWaalsContact O-N 3.1Å; I119-N121 PolarHBondContact O-N 3.32Å; I119-N121 VanDerWaalsContact O-N 3.14Å; I119-V122 HydrophobicContact CG1-CB 4.45Å; I119-V122 HydrophobicContact CG1-CG2 4.37Å; I119-V122 WeakPolarHBondContact O-CB 3.16Å; I119-V122 PolarHBondContact O-N 2.96Å; I119-F123 HydrophobicContact CD1-CE2 4.29Å; I119-F123 HydrophobicContact CG1-CD2 4.44Å; I119-F123 HydrophobicContact CG1-CE2 4.02Å; I119-F123 HydrophobicContact CG2-CE2 4.23Å; I119-F123 WeakPolarHBondContact O-CD2 3.47Å; I119-F123 PolarHBondContact O-N 3.18Å
120F86.7Confident87Confident17 Ų1748.7 Ų48.78%0.07527%0.265CS..Hα-helixtrans-50.8-37.9174.3167.3-104.7000112M77 I113 A116 P117 T118 V122 F123 Y124 V141M77-F120 HydrophobicContact CE-CD2 4.15Å; I113-F120 HydrophobicContact CD1-CE2 3.46Å; I113-F120 VanDerWaalsContact CD1-CE2 3.46Å; I113-F120 HydrophobicContact CD1-CZ 3.58Å; I113-F120 HydrophobicContact CG2-CD2 4.05Å; I113-F120 HydrophobicContact CG2-CE2 3.86Å; I113-F120 HydrophobicContact CG2-CZ 4.39Å; A116-F120 HydrophobicContact CB-CB 4.28Å; A116-F120 HydrophobicContact CB-CD1 4.48Å; A116-F120 HydrophobicContact CB-CG 4.27Å; P117-F120 WeakPolarHBondContact O-CB 3.28Å; P117-F120 PolarHBondContact O-N 2.86Å; T118-F120 PolarHBondContact O-N 3.43Å; F120-V122 PolarHBondContact O-N 2.79Å; F120-F123 WeakPolarHBondContact O-CB 3.19Å; F120-F123 PolarHBondContact O-N 2.9Å; F120-Y124 HydrophobicContact CE1-CG 4.34Å; F120-Y124 HydrophobicContact CZ-CD2 4.07Å; F120-Y124 HydrophobicContact CZ-CG 4.07Å; F120-Y124 PolarHBondContact O-N 3.2Å; F120-V141 HydrophobicContact CD1-CG1 3.78Å; F120-V141 HydrophobicContact CE1-CB 4.21Å; F120-V141 HydrophobicContact CE1-CG1 3.56Å; F120-V141 HydrophobicContact CE1-CG2 3.57Å; F120-V141 HydrophobicContact CZ-CG1 4.21Å; F120-V141 HydrophobicContact CZ-CG2 3.71Å
121N86.6Confident86.6Confident105 Ų10547.6 Ų47.656%0.56126%0.262SS*.Hα-helixtrans-56.9-35.4178.8-69.9-31.4000112.2T118 I119 Q125T118-N121 PolarHBondContact O-N 3.34Å; I119-N121 PolarHBondContact O-N 3.32Å; I119-N121 VanDerWaalsContact O-N 3.14Å; N121-Q125 WeakPolarHBondContact O-CG 3.13Å; N121-Q125 PolarHBondContact O-N 3.38Å
122V81.3Confident86.2Confident71 Ų7149.3 Ų49.343%0.4327%0.271SS..Hα-helixtrans-66.8-48175.8-176.80000110.5L85 I119 F120 Y124 Q125 I126L85-V122 HydrophobicContact CD1-CG1 4.15Å; L85-V122 HydrophobicContact CD2-CB 4.42Å; L85-V122 HydrophobicContact CD2-CG1 3.79Å; I119-V122 HydrophobicContact CG1-CB 4.45Å; I119-V122 HydrophobicContact CG1-CG2 4.37Å; I119-V122 WeakPolarHBondContact O-CB 3.16Å; I119-V122 PolarHBondContact O-N 2.96Å; F120-V122 PolarHBondContact O-N 2.79Å; V122-Y124 VanDerWaalsContact C-N 3.32Å; V122-Y124 PolarHBondContact O-N 2.89Å; V122-Q125 PolarHBondContact O-N 3.05Å; V122-I126 HydrophobicContact CG1-CD1 4.26Å; V122-I126 WeakPolarHBondContact O-CD1 3.36Å; V122-I126 WeakPolarHBondContact O-CG1 3.44Å; V122-I126 PolarHBondContact O-N 2.88Å
123F81.1Confident85.9Confident18 Ų1855.7 Ų55.78%0.07930%0.301CS..Hα-helixtrans-58.5-44175.6-71.4-83.6000111.9M77 I80 H84 L85 L90 I119 F120 Q125 I126 V127M77-F123 HydrophobicContact CE-CD2 4.49Å; I80-F123 HydrophobicContact CG2-CD2 4.21Å; I80-F123 HydrophobicContact CG2-CE2 3.5Å; I80-F123 VanDerWaalsContact CG2-CE2 3.5Å; I80-F123 HydrophobicContact CG2-CZ 3.93Å; H84-F123 HydrophobicContact CB-CE1 4.1Å; H84-F123 HydrophobicContact CB-CZ 3.74Å; H84-F123 WeakPolarHBondContact O-CE1 3.45Å; L85-F123 HydrophobicContact CD2-CD1 4.03Å; L85-F123 HydrophobicContact CD2-CD2 4.15Å; L85-F123 HydrophobicContact CD2-CE1 3.64Å; L85-F123 HydrophobicContact CD2-CE2 3.76Å; L85-F123 HydrophobicContact CD2-CG 4.26Å; L85-F123 HydrophobicContact CD2-CZ 3.46Å; L85-F123 VanDerWaalsContact CD2-CZ 3.46Å; L85-F123 HydrophobicContact CG-CE1 4.31Å; L85-F123 HydrophobicContact CG-CE2 4.15Å; L85-F123 HydrophobicContact CG-CZ 3.76Å; L90-F123 HydrophobicContact CD2-CD1 3.76Å; L90-F123 HydrophobicContact CD2-CE1 3.78Å; I119-F123 HydrophobicContact CD1-CE2 4.29Å; I119-F123 HydrophobicContact CG1-CD2 4.44Å; I119-F123 HydrophobicContact CG1-CE2 4.02Å; I119-F123 HydrophobicContact CG2-CE2 4.23Å; I119-F123 WeakPolarHBondContact O-CD2 3.47Å; I119-F123 PolarHBondContact O-N 3.18Å; F120-F123 WeakPolarHBondContact O-CB 3.19Å; F120-F123 PolarHBondContact O-N 2.9Å; F123-Q125 PolarHBondContact O-N 3.2Å; F123-I126 WeakPolarHBondContact O-CB 3.42Å; F123-I126 PolarHBondContact O-N 2.97Å; F123-I126 VanDerWaalsContact O-N 3.13Å; F123-V127 PolarHBondContact O-N 3.19Å
124Y85.2Confident85.4Confident50 Ų5058.7 Ų58.720%0.19632%0.317CS..Hα-helixtrans-62.5-41.7179.2-173.5-118.8000111.8F120 V122 I126 V127 K128 L131 I139F120-Y124 HydrophobicContact CE1-CG 4.34Å; F120-Y124 HydrophobicContact CZ-CD2 4.07Å; F120-Y124 HydrophobicContact CZ-CG 4.07Å; F120-Y124 PolarHBondContact O-N 3.2Å; V122-Y124 VanDerWaalsContact C-N 3.32Å; V122-Y124 PolarHBondContact O-N 2.89Å; Y124-I126 PolarHBondContact O-N 3.14Å; Y124-V127 HydrophobicContact CD2-CG2 4.45Å; Y124-V127 PolarHBondContact O-N 3.45Å; Y124-K128 HydrophobicContact CE1-CB 4.49Å; Y124-K128 HydrophobicContact CE1-CD 4.04Å; Y124-K128 HydrophobicContact CE1-CG 4.44Å; Y124-K128 WeakPolarHBondContact O-CA 3.46Å; Y124-K128 WeakPolarHBondContact O-CB 3.48Å; Y124-K128 PolarHBondContact O-N 3.08Å; Y124-L131 HydrophobicContact CE2-CD1 4.28Å; Y124-I139 HydrophobicContact CE2-CD1 4.13Å
125Q82.4Confident84.9Confident117 Ų11758.9 Ų58.955%0.54732%0.318SS..Hα-helixtrans-63.5-28.8175.9-66.5-55-3000113.2N121 V122 F123 P129N121-Q125 WeakPolarHBondContact O-CG 3.13Å; N121-Q125 PolarHBondContact O-N 3.38Å; V122-Q125 PolarHBondContact O-N 3.05Å; F123-Q125 PolarHBondContact O-N 3.2Å; Q125-P129 WeakPolarHBondContact O-CD 3.41Å
126I79Confident84.7Confident63 Ų6361.1 Ų61.132%0.32332%0.324SS..Hα-helixtrans-71-45.5177.2-67.6156.9000110.9L85 L90 V122 F123 Y124 P129L85-I126 HydrophobicContact CD2-CD1 4.06Å; L90-I126 HydrophobicContact CD1-CD1 3.72Å; L90-I126 HydrophobicContact CD2-CD1 4.42Å; V122-I126 HydrophobicContact CG1-CD1 4.26Å; V122-I126 WeakPolarHBondContact O-CD1 3.36Å; V122-I126 WeakPolarHBondContact O-CG1 3.44Å; V122-I126 PolarHBondContact O-N 2.88Å; F123-I126 WeakPolarHBondContact O-CB 3.42Å; F123-I126 PolarHBondContact O-N 2.97Å; F123-I126 VanDerWaalsContact O-N 3.13Å; Y124-I126 PolarHBondContact O-N 3.14Å; I126-P129 WeakPolarHBondContact O-CD 3.29Å
127V79.9Confident84.6Confident19 Ų1967.7 Ų67.712%0.11535%0.348CS..Hα-helixtrans-87.8-24.9-176.1-60.70000114F93 F123 Y124 P129 V130 L131F93-V127 HydrophobicContact CD1-CG1 3.91Å; F93-V127 HydrophobicContact CE1-CG1 3.75Å; F123-V127 PolarHBondContact O-N 3.19Å; Y124-V127 HydrophobicContact CD2-CG2 4.45Å; Y124-V127 PolarHBondContact O-N 3.45Å; V127-P129 VanDerWaalsContact C-N 3.32Å; V127-P129 VanDerWaalsContact O-N 3.16Å; V127-V130 WeakPolarHBondContact O-CB 3.07Å; V127-V130 PolarHBondContact O-N 2.93Å; V127-L131 HydrophobicContact CG2-CD1 4.26Å; V127-L131 PolarHBondContact O-N 3.41Å
128K82.2Confident84.7Confident77 Ų7767.4 Ų67.434%0.33534%0.343SS..THydrogen-bonded Turntrans-49.5-41.5-177.3175.6-176.3178.6-172.10114.1Y124 V130 L131 R136Y124-K128 HydrophobicContact CE1-CB 4.49Å; Y124-K128 HydrophobicContact CE1-CD 4.04Å; Y124-K128 HydrophobicContact CE1-CG 4.44Å; Y124-K128 WeakPolarHBondContact O-CA 3.46Å; Y124-K128 WeakPolarHBondContact O-CB 3.48Å; Y124-K128 PolarHBondContact O-N 3.08Å; K128-V130 PolarHBondContact O-N 3.18Å; K128-L131 PolarHBondContact O-N 2.77Å; K128-R136 PolarHBondContact O-NE 2.85Å; K128-R136 PolarHBondContact O-NH2 2.9Å
129P80.9Confident85Confident104 Ų10462.3 Ų62.368%0.67531%0.31SS*.THydrogen-bonded Turntrans-61.9-24.8177.9-23.735.4000114.3Q125 I126 V127Q125-P129 WeakPolarHBondContact O-CD 3.41Å; I126-P129 WeakPolarHBondContact O-CD 3.29Å; V127-P129 VanDerWaalsContact C-N 3.32Å; V127-P129 VanDerWaalsContact O-N 3.16Å
130V77.8Confident85.5Confident47 Ų4765.3 Ų65.329%0.28532%0.319SS..THydrogen-bonded Turntrans-82.8-30.1179.4179.70000111.9V97 S98 V127 K128V97-V130 HydrophobicContact CG1-CG1 3.97Å; S98-V130 VanDerWaalsContact CA-CG1 3.46Å; S98-V130 WeakPolarHBondContact OG-CG1 3.13Å; V127-V130 WeakPolarHBondContact O-CB 3.07Å; V127-V130 PolarHBondContact O-N 2.93Å; K128-V130 PolarHBondContact O-N 3.18Å
131L83.4Confident85.9Confident16 Ų1667.9 Ų67.98%0.08434%0.336CS..SBendtrans-80.3134.2-175.1-55.9178.2000111.6V97 E101 Y124 V127 K128 T135 R136 I139V97-L131 HydrophobicContact CG1-CD2 3.46Å; V97-L131 VanDerWaalsContact CG1-CD2 3.46Å; E101-L131 HydrophobicContact CG-CD2 4.2Å; Y124-L131 HydrophobicContact CE2-CD1 4.28Å; V127-L131 HydrophobicContact CG2-CD1 4.26Å; V127-L131 PolarHBondContact O-N 3.41Å; K128-L131 PolarHBondContact O-N 2.77Å; L131-T135 HydrophobicContact CD2-CG2 4.14Å; L131-R136 HydrophobicContact CB-CG 3.99Å; L131-R136 PolarHBondContact O-NE 3.22Å; L131-R136 PolarHBondContact O-NH2 3.35Å; L131-I139 HydrophobicContact CD1-CD1 3.78Å
132D85.1Confident86.3Confident60 Ų6064.6 Ų64.632%0.32132%0.319SS..  trans-72.2171.5171.981.119.5000112.5E101 N134 T135 R136E101-D132 PolarHBondContact OE2-N 3.43Å; D132-N134 VanDerWaalsContact C-N 3.29Å; D132-N134 PolarHBondContact O-N 2.86Å; D132-N134 WeakPolarHBondContact OD1-CA 3.31Å; D132-N134 VanDerWaalsContact OD1-CB 3.3Å; D132-N134 WeakPolarHBondContact OD1-CB 3.37Å; D132-N134 PolarHBondContact OD1-N 2.67Å; D132-T135 PolarHBondContact OD1-N 2.83Å; D132-T135 PolarHBondContact OD1-OG1 3Å; D132-R136 WeakPolarHBondContact O-CD 3.38Å; D132-R136 WeakPolarHBondContact O-CG 3.2Å; D132-R136 PolarHBondContact O-N 3.41Å; D132-R136 VanDerWaalsContact O-N 3.16Å
133E87.8Confident86.8Confident135 Ų13562.6 Ų62.663%0.63131%0.313SS*.Hα-helixtrans-66.3-29.1179-68.8-168.9174.600114K137E133-K137 VanDerWaalsContact O-CG 3.3Å; E133-K137 WeakPolarHBondContact O-CG 3.34Å; E133-K137 PolarHBondContact O-N 3.41Å
134N86.4Confident87.3Confident72 Ų7266.9 Ų66.939%0.38534%0.344SS..Hα-helixtrans-73-48.4-178-176.140000110.6D132 R136 K137 K138D132-N134 VanDerWaalsContact C-N 3.29Å; D132-N134 PolarHBondContact O-N 2.86Å; D132-N134 WeakPolarHBondContact OD1-CA 3.31Å; D132-N134 VanDerWaalsContact OD1-CB 3.3Å; D132-N134 WeakPolarHBondContact OD1-CB 3.37Å; D132-N134 PolarHBondContact OD1-N 2.67Å; N134-R136 VanDerWaalsContact C-N 3.34Å; N134-R136 PolarHBondContact O-N 2.83Å; N134-K137 PolarHBondContact O-N 3.03Å; N134-K138 PolarHBondContact ND2-NZ 2.87Å; N134-K138 VanDerWaalsContact ND2-NZ 3.17Å; N134-K138 WeakPolarHBondContact O-CG 3.42Å; N134-K138 PolarHBondContact O-N 3.35Å; N134-K138 WeakPolarHBondContact OD1-CE 3.14Å
135T86.3Confident87.7Confident4 Ų470.6 Ų70.63%0.02537%0.367CS..Hα-helixtrans-59-46173.6-64.80000110.4E101 L108 L131 D132 K137 K138 I139E101-T135 VanDerWaalsContact OE1-CB 3.25Å; E101-T135 WeakPolarHBondContact OE1-CB 3.3Å; E101-T135 WeakPolarHBondContact OE1-CG2 3.48Å; E101-T135 PolarHBondContact OE1-OG1 3.04Å; E101-T135 PolarHBondContact OE2-OG1 3.33Å; L108-T135 HydrophobicContact CD2-CG2 3.59Å; L131-T135 HydrophobicContact CD2-CG2 4.14Å; D132-T135 PolarHBondContact OD1-N 2.83Å; D132-T135 PolarHBondContact OD1-OG1 3Å; T135-K137 VanDerWaalsContact C-N 3.26Å; T135-K137 PolarHBondContact O-N 3.41Å; T135-K138 WeakPolarHBondContact O-CA 3.49Å; T135-K138 WeakPolarHBondContact O-CB 3.48Å; T135-K138 PolarHBondContact O-N 3.24Å; T135-I139 VanDerWaalsContact O-CG1 3.31Å; T135-I139 WeakPolarHBondContact O-CG1 3.32Å; T135-I139 PolarHBondContact O-N 3.12Å
136R91.4Very high88.4Confident79 Ų7965.7 Ų65.730%0.29834%0.343SS..Hα-helixtrans-55.6-39.1176.9-72.1171.1-164.6164.64.8113K128 L131 D132 N134 K138 I139K128-R136 PolarHBondContact O-NE 2.85Å; K128-R136 PolarHBondContact O-NH2 2.9Å; L131-R136 HydrophobicContact CB-CG 3.99Å; L131-R136 PolarHBondContact O-NE 3.22Å; L131-R136 PolarHBondContact O-NH2 3.35Å; D132-R136 WeakPolarHBondContact O-CD 3.38Å; D132-R136 WeakPolarHBondContact O-CG 3.2Å; D132-R136 PolarHBondContact O-N 3.41Å; D132-R136 VanDerWaalsContact O-N 3.16Å; N134-R136 VanDerWaalsContact C-N 3.34Å; N134-R136 PolarHBondContact O-N 2.83Å; R136-K138 PolarHBondContact O-N 2.85Å; R136-I139 PolarHBondContact O-N 3.14Å
137K91.8Very high89.3Confident164 Ų16467.5 Ų67.571%0.71335%0.349SS*.Hα-helixtrans-68.2-22.2177.2-72.1168.1-172.8170.40113.2E133 N134 T135E133-K137 VanDerWaalsContact O-CG 3.3Å; E133-K137 WeakPolarHBondContact O-CG 3.34Å; E133-K137 PolarHBondContact O-N 3.41Å; N134-K137 PolarHBondContact O-N 3.03Å; T135-K137 VanDerWaalsContact C-N 3.26Å; T135-K137 PolarHBondContact O-N 3.41Å
138K91.9Very high90Very high33 Ų3370 Ų7014%0.14337%0.372CS..Hα-helixtrans-87.7-6.6179.1-63.2167.5-179179.30113.1L108 L111 N134 T135 R136L108-K138 HydrophobicContact CB-CD 4.34Å; L108-K138 HydrophobicContact CD2-CB 4.16Å; L108-K138 HydrophobicContact CD2-CD 4.25Å; L108-K138 HydrophobicContact CG-CB 4.36Å; L108-K138 HydrophobicContact CG-CD 4.07Å; L108-K138 VanDerWaalsContact O-CD 3.27Å; L108-K138 WeakPolarHBondContact O-CD 3.14Å; L108-K138 VanDerWaalsContact O-CE 3.31Å; L108-K138 WeakPolarHBondContact O-CE 3.19Å; L108-K138 PolarHBondContact O-NZ 3.23Å; L111-K138 PolarHBondContact N-O 2.7Å; N134-K138 PolarHBondContact ND2-NZ 2.87Å; N134-K138 VanDerWaalsContact ND2-NZ 3.17Å; N134-K138 WeakPolarHBondContact O-CG 3.42Å; N134-K138 PolarHBondContact O-N 3.35Å; N134-K138 WeakPolarHBondContact OD1-CE 3.14Å; T135-K138 WeakPolarHBondContact O-CA 3.49Å; T135-K138 WeakPolarHBondContact O-CB 3.48Å; T135-K138 PolarHBondContact O-N 3.24Å; R136-K138 PolarHBondContact O-N 2.85Å
139I93.2Very high90.7Very high26 Ų2667 Ų6713%0.13336%0.361CS..EExtended strand (participates in β ladder)trans-83.8123.7179.1-49.6-172.1000110.2L111 I113 Y124 L131 T135 R136 V141L111-I139 HydrophobicContact CB-CG1 4.34Å; L111-I139 HydrophobicContact CD2-CD1 4.08Å; L111-I139 HydrophobicContact CD2-CG1 3.98Å; L111-I139 HydrophobicContact CD2-CG2 4.37Å; L111-I139 CarbonylContact O-C 3.48Å; L111-I139 WeakPolarHBondContact O-CA 3.25Å; I113-I139 HydrophobicContact CD1-CG2 3.63Å; I113-I139 HydrophobicContact CG1-CG2 4.05Å; Y124-I139 HydrophobicContact CE2-CD1 4.13Å; L131-I139 HydrophobicContact CD1-CD1 3.78Å; T135-I139 VanDerWaalsContact O-CG1 3.31Å; T135-I139 WeakPolarHBondContact O-CG1 3.32Å; T135-I139 PolarHBondContact O-N 3.12Å; R136-I139 PolarHBondContact O-N 3.14Å; I139-V141 HydrophobicContact CG2-CG2 3.96Å
140R94.8Very high91.5Very high94 Ų9462 Ų6236%0.35533%0.329SS..EExtended strand (participates in β ladder)trans-112.7112.3168.5-69.9-164.8175.3-172.12.1109.6L111 Y112 I113 E152L111-R140 PolarHBondContact O-N 3.34Å; Y112-R140 HydrophobicContact CD1-CB 3.96Å; Y112-R140 HydrophobicContact CE1-CB 4.2Å; I113-R140 PolarHBondContact N-O 3.38Å; R140-E152 IonicContact CZ-OE2 3.75Å; R140-E152 IonicContact NH1-OE2 3.86Å; R140-E152 PolarHBondContact NH1-OE2 3.18Å
141V94.9Very high92.4Very high71 Ų7162.4 Ų62.443%0.4333%0.329SS..EExtended strand (participates in β ladder)trans-94.4122.5177.1-172.80000108.7I113 A116 F120 I139I113-V141 HydrophobicContact CB-CG2 4.49Å; I113-V141 HydrophobicContact CD1-CG2 4.38Å; A116-V141 HydrophobicContact CB-CG1 3.61Å; F120-V141 HydrophobicContact CD1-CG1 3.78Å; F120-V141 HydrophobicContact CE1-CB 4.21Å; F120-V141 HydrophobicContact CE1-CG1 3.56Å; F120-V141 HydrophobicContact CE1-CG2 3.57Å; F120-V141 HydrophobicContact CZ-CG1 4.21Å; F120-V141 HydrophobicContact CZ-CG2 3.71Å; I139-V141 HydrophobicContact CG2-CG2 3.96Å
142L95.5Very high93Very high36 Ų3666.5 Ų66.519%0.18835%0.348CS..  trans-129.1146.5-171.5-58172.8000110.6Y112 I113 I114 N115 A116 A149Y112-L142 HydrophobicContact CD1-CD1 3.67Å; Y112-L142 HydrophobicContact CE1-CD1 4.14Å; I113-L142 PolarHBondContact O-N 3.12Å; I114-L142 HydrophobicContact CG2-CD1 4.3Å; N115-L142 PolarHBondContact N-O 3.24Å; A116-L142 WeakPolarHBondContact CB-O 3.24Å; A116-L142 PolarHBondContact N-O 3.13Å; A116-L142 VanDerWaalsContact N-O 3.08Å; L142-A149 HydrophobicContact CD1-CB 3.57Å; L142-A149 HydrophobicContact CD2-CB 4.22Å
143G92.7Very high93.5Very high30 Ų3064.6 Ų64.631%0.30934%0.338SS..  trans-78.6-141.7175.900000112.3N115 D145 Y146N115-G143 WeakPolarHBondContact CA-O 3.36Å; N115-G143 PolarHBondContact N-O 3.42Å; G143-D145 VanDerWaalsContact C-N 3.32Å; G143-Y146 WeakPolarHBondContact O-CD1 3.25Å
144C91.4Very high93.9Very high107 Ų10758.2 Ų58.272%0.72331%0.308SS*.SBendtrans-80.1-15.1174.656.20000113.2Y146C144-Y146 VanDerWaalsContact C-N 3.25Å; C144-Y146 WeakPolarHBondContact O-CD1 3.25Å; C144-Y146 PolarHBondContact O-N 3.13Å
145D93.7Very high94.3Very high129 Ų12955.9 Ų55.969%0.6930%0.298SS*.  trans-89.329.9179.660.7-31.5000112.9G143 K147G143-D145 VanDerWaalsContact C-N 3.32Å; D145-K147 PolarHBondContact O-N 3.16Å
146Y96.5Very high94.8Very high13 Ų1357.9 Ų57.95%0.05131%0.312CS..  trans-76.1-19.8-173.962.6-93.4000114.8I114 N115 G143 C144 A148 A149 L150 Y163I114-Y146 HydrophobicContact CB-CD1 3.94Å; I114-Y146 HydrophobicContact CB-CD2 3.98Å; I114-Y146 HydrophobicContact CB-CG 3.64Å; I114-Y146 HydrophobicContact CD1-CD2 3.89Å; I114-Y146 HydrophobicContact CD1-CE1 4.47Å; I114-Y146 HydrophobicContact CD1-CE2 3.7Å; I114-Y146 HydrophobicContact CD1-CG 4.36Å; I114-Y146 HydrophobicContact CG2-CD2 3.85Å; I114-Y146 HydrophobicContact CG2-CG 3.74Å; N115-Y146 WeakPolarHBondContact OD1-CE1 3.35Å; G143-Y146 WeakPolarHBondContact O-CD1 3.25Å; C144-Y146 VanDerWaalsContact C-N 3.25Å; C144-Y146 WeakPolarHBondContact O-CD1 3.25Å; C144-Y146 PolarHBondContact O-N 3.13Å; Y146-A148 PolarHBondContact O-N 3.49Å; Y146-A149 PolarHBondContact O-N 3.38Å; Y146-A149 VanDerWaalsContact O-N 3.08Å; Y146-L150 HydrophobicContact CD2-CD1 3.67Å; Y146-L150 HydrophobicContact CD2-CG 4.2Å; Y146-L150 HydrophobicContact CE2-CD1 4.01Å; Y146-L150 PolarHBondContact O-N 3.3Å; Y146-L150 VanDerWaalsContact O-N 3.14Å; Y146-Y163 HydrophobicContact CE2-CD1 4.2Å
147K97.1Very high95Very high102 Ų10259.3 Ų59.344%0.44332%0.322SS..Hα-helixtrans-57.7-45-168.1-65.2-177.6176.3-1770112.8D145 A149 L150 L151D145-K147 PolarHBondContact O-N 3.16Å; K147-A149 VanDerWaalsContact C-N 3.31Å; K147-A149 PolarHBondContact O-N 3.19Å; K147-L150 PolarHBondContact O-N 3.05Å; K147-L151 WeakPolarHBondContact O-CG 3.11Å; K147-L151 PolarHBondContact O-N 2.9Å
148A96.3Very high95.1Very high72 Ų7254.9 Ų54.960%0.59530%0.304SS*.Hα-helixtrans-61.7-40.7178.900000111.8Y146 L150 L151 E152Y146-A148 PolarHBondContact O-N 3.49Å; A148-L150 VanDerWaalsContact C-N 3.35Å; A148-L150 PolarHBondContact O-N 3.35Å; A148-L151 PolarHBondContact O-N 3.32Å; A148-E152 PolarHBondContact O-N 2.83Å
149A96.2Very high95.3Very high12 Ų1253.3 Ų53.310%0.09930%0.297CS..Hα-helixtrans-70-28.1-179.600000113.5Y112 L142 Y146 K147Y112-A149 HydrophobicContact CE1-CB 4.33Å; Y112-A149 WeakPolarHBondContact CE1-O 3.44Å; Y112-A149 PolarHBondContact OH-O 2.8Å; L142-A149 HydrophobicContact CD1-CB 3.57Å; L142-A149 HydrophobicContact CD2-CB 4.22Å; Y146-A149 PolarHBondContact O-N 3.38Å; Y146-A149 VanDerWaalsContact O-N 3.08Å; K147-A149 VanDerWaalsContact C-N 3.31Å; K147-A149 PolarHBondContact O-N 3.19Å
150L97.1Very high95.5Very high0 Ų052.1 Ų52.10%029%0.29CS..Hα-helixtrans-70.4-40.1170.6-66.5-176.9000111.1V74 Y112 I114 Y146 K147 A148 E152 D153 I154 L159V74-L150 HydrophobicContact CG1-CD2 4.41Å; V74-L150 HydrophobicContact CG2-CD2 4.11Å; Y112-L150 HydrophobicContact CD1-CD2 3.87Å; Y112-L150 HydrophobicContact CD2-CD2 3.81Å; Y112-L150 HydrophobicContact CE1-CD2 4.28Å; Y112-L150 HydrophobicContact CE2-CD2 4.26Å; Y112-L150 HydrophobicContact CG-CD2 3.58Å; I114-L150 HydrophobicContact CG2-CD2 4.39Å; Y146-L150 HydrophobicContact CD2-CD1 3.67Å; Y146-L150 HydrophobicContact CD2-CG 4.2Å; Y146-L150 HydrophobicContact CE2-CD1 4.01Å; Y146-L150 PolarHBondContact O-N 3.3Å; Y146-L150 VanDerWaalsContact O-N 3.14Å; K147-L150 PolarHBondContact O-N 3.05Å; A148-L150 VanDerWaalsContact C-N 3.35Å; A148-L150 PolarHBondContact O-N 3.35Å; L150-E152 PolarHBondContact O-N 3.27Å; L150-D153 PolarHBondContact O-N 2.81Å; L150-I154 WeakPolarHBondContact O-CB 3.28Å; L150-I154 PolarHBondContact O-N 2.82Å; L150-L159 HydrophobicContact CB-CD2 4.1Å; L150-L159 HydrophobicContact CD1-CD1 4.22Å
151L97.2Very high95.6Very high55 Ų5548.7 Ų48.729%0.28828%0.282SS..Hα-helixtrans-70.4-14179.7-67.8171.4000113.8K29 K147 A148 D153 I154 P156 L159K29-L151 PolarHBondContact NZ-O 2.94Å; K147-L151 WeakPolarHBondContact O-CG 3.11Å; K147-L151 PolarHBondContact O-N 2.9Å; A148-L151 PolarHBondContact O-N 3.32Å; L151-D153 VanDerWaalsContact C-N 3.33Å; L151-I154 WeakPolarHBondContact CA-O 3.45Å; L151-P156 HydrophobicContact CD2-CB 4.15Å; L151-P156 HydrophobicContact CD2-CG 3.98Å; L151-L159 HydrophobicContact CD2-CD2 3.73Å; L151-L159 HydrophobicContact CG-CD2 4.18Å
152E96Very high95.6Very high103 Ų10347.6 Ų47.648%0.48127%0.272SS..Hα-helixtrans-60.2-43.7169.6-72.9176.4-170.400111.3K29 R140 A148 L150K29-E152 PolarHBondContact NZ-O 3Å; R140-E152 IonicContact CZ-OE2 3.75Å; R140-E152 IonicContact NH1-OE2 3.86Å; R140-E152 PolarHBondContact NH1-OE2 3.18Å; A148-E152 PolarHBondContact O-N 2.83Å; L150-E152 PolarHBondContact O-N 3.27Å
153D94.6Very high95.6Very high20 Ų2045.9 Ų45.911%0.10726%0.263CS..Hα-helixtrans-103.4-31.7-175.5-69.7-7.5000112.8D28 K29 I72 R110 Y112 L150 L151D28-D153 WeakPolarHBondContact CB-O 3.38Å; K29-D153 VanDerWaalsContact CG-O 3.29Å; K29-D153 WeakPolarHBondContact CG-O 3.29Å; K29-D153 PolarHBondContact N-O 3.41Å; I72-D153 HydrophobicContact CD1-CB 3.76Å; R110-D153 WeakPolarHBondContact CD-OD2 3.49Å; R110-D153 IonicContact CZ-OD1 2.61Å; R110-D153 IonicContact CZ-OD2 2.92Å; R110-D153 IonicContact NE-OD2 3.91Å; R110-D153 PolarHBondContact NE-OD2 3.04Å; R110-D153 IonicContact NH1-OD1 3.84Å; R110-D153 PolarHBondContact NH1-OD1 2.71Å; R110-D153 IonicContact NH1-OD2 2.57Å; R110-D153 PolarHBondContact NH1-OD2 3.18Å; R110-D153 IonicContact NH2-OD1 2.93Å; R110-D153 IonicContact NH2-OD2 2.95Å; Y112-D153 VanDerWaalsContact OH-CG 3.31Å; Y112-D153 PolarHBondContact OH-OD2 3.41Å; L150-D153 PolarHBondContact O-N 2.81Å; L151-D153 VanDerWaalsContact C-N 3.33Å
154I96.1Very high95.8Very high0 Ų045.7 Ų45.70%026%0.261CS..BIsolated β-bridgetrans-107.5130.3-172.4-50.7169000109.4V34 I72 L150 L151 Q158 L159V34-I154 HydrophobicContact CG1-CD1 3.87Å; V34-I154 HydrophobicContact CG2-CD1 3.97Å; V34-I154 HydrophobicContact CG2-CG1 4.09Å; V34-I154 HydrophobicContact CG2-CG2 4.48Å; I72-I154 HydrophobicContact CD1-CG1 4.31Å; L150-I154 WeakPolarHBondContact O-CB 3.28Å; L150-I154 PolarHBondContact O-N 2.82Å; L151-I154 WeakPolarHBondContact CA-O 3.45Å; I154-Q158 HydrophobicContact CG2-CB 4.01Å; I154-L159 HydrophobicContact CD1-CD1 4.24Å; I154-L159 HydrophobicContact CG2-CB 3.96Å
155A95.6Very high96Very high23 Ų2341 Ų4119%0.1923%0.231CC..  trans-65.3142.5174.500000110.8E157 Q158 L159A155-E157 PolarHBondContact O-N 2.86Å; A155-E157 VanDerWaalsContact O-N 3.12Å; A155-Q158 HydrophobicContact CB-CB 4.47Å; A155-Q158 HydrophobicContact CB-CG 4.22Å; A155-Q158 PolarHBondContact O-N 3.33Å; A155-L159 PolarHBondContact O-N 3.3Å
156P96.6Very high96.1Very high47 Ų4740.1 Ų40.131%0.30523%0.225SC..G310 helixtrans-52.3-37.3-179-23.229.4000113.7L151 Q158 L159 G165 L166L151-P156 HydrophobicContact CD2-CB 4.15Å; L151-P156 HydrophobicContact CD2-CG 3.98Å; P156-Q158 PolarHBondContact O-N 3.17Å; P156-L159 PolarHBondContact O-N 2.81Å; P156-G165 CarbonylContact O-C 3.49Å; P156-G165 WeakPolarHBondContact O-CA 3.05Å; P156-L166 HydrophobicContact CB-CB 4.46Å; P156-L166 HydrophobicContact CB-CD1 3.9Å; P156-L166 HydrophobicContact CB-CG 3.89Å; P156-L166 PolarHBondContact O-N 3.1Å
157E95.1Very high95.9Very high109 Ų10940.9 Ų40.951%0.50923%0.233SC..G310 helixtrans-72-19.7-178.2-57.171.6-151.500112.9A155 C167A155-E157 PolarHBondContact O-N 2.86Å; A155-E157 VanDerWaalsContact O-N 3.12Å; E157-C167 WeakPolarHBondContact O-CB 3.04Å; E157-C167 PolarHBondContact O-SG 3.21Å; E157-C167 VanDerWaalsContact O-SG 3.35Å
158Q94.6Very high95.7Very high71 Ų7141.8 Ų41.833%0.33224%0.237SC..G310 helixtrans-96.4-6.6178.2-63.2-61.1-50.200112.7F27 I154 A155 P156F27-Q158 VanDerWaalsContact O-CB 3.23Å; F27-Q158 WeakPolarHBondContact O-CB 3.43Å; F27-Q158 WeakPolarHBondContact O-CG 3.02Å; I154-Q158 HydrophobicContact CG2-CB 4.01Å; A155-Q158 HydrophobicContact CB-CB 4.47Å; A155-Q158 HydrophobicContact CB-CG 4.22Å; A155-Q158 PolarHBondContact O-N 3.33Å; P156-Q158 PolarHBondContact O-N 3.17Å
159L96.5Very high95.3Very high0 Ų038.7 Ų38.70%021%0.212CC..SBendtrans-105.7131-178.3-177.766.7000110Y36 L150 L151 I154 A155 P156 A161 G165 L166 C167Y36-L159 HydrophobicContact CE1-CD1 4.31Å; Y36-L159 VanDerWaalsContact OH-CD1 3.31Å; Y36-L159 WeakPolarHBondContact OH-CD1 3.41Å; L150-L159 HydrophobicContact CB-CD2 4.1Å; L150-L159 HydrophobicContact CD1-CD1 4.22Å; L151-L159 HydrophobicContact CD2-CD2 3.73Å; L151-L159 HydrophobicContact CG-CD2 4.18Å; I154-L159 HydrophobicContact CD1-CD1 4.24Å; I154-L159 HydrophobicContact CG2-CB 3.96Å; A155-L159 PolarHBondContact O-N 3.3Å; P156-L159 PolarHBondContact O-N 2.81Å; L159-A161 PolarHBondContact O-N 3.42Å; L159-G165 WeakPolarHBondContact O-CA 3.47Å; L159-L166 PolarHBondContact O-N 3.13Å; L159-C167 WeakPolarHBondContact O-CB 3.37Å; L159-C167 PolarHBondContact O-N 3.21Å; L159-C167 VanDerWaalsContact O-N 3.08Å
160P96.8Very high94.6Very high0 Ų043.4 Ų43.40%024%0.244CC..BIsolated β-bridgetrans-56.2140.5173.8-27.336.2000112F25 Y36 F162 Y163 G164 G165 C176 I180F25-P160 HydrophobicContact CD1-CG 3.63Å; F25-P160 HydrophobicContact CE1-CG 3.83Å; F25-P160 HydrophobicContact CG-CG 4.45Å; Y36-P160 WeakPolarHBondContact OH-CD 3.43Å; P160-F162 PolarHBondContact O-N 3.4Å; P160-F162 VanDerWaalsContact O-N 3.16Å; P160-Y163 HydrophobicContact CB-CD2 4.12Å; P160-Y163 HydrophobicContact CG-CD2 4.13Å; P160-Y163 PolarHBondContact O-N 2.88Å; P160-G164 PolarHBondContact O-N 3.45Å; P160-G165 PolarHBondContact O-N 3.07Å; P160-G165 VanDerWaalsContact O-N 3.14Å; P160-C176 HydrophobicContact CB-CB 4.41Å; P160-C176 HydrophobicContact CG-CB 4.28Å; P160-I180 HydrophobicContact CG-CD1 3.85Å
161A96.7Very high94Very high23 Ų2350.7 Ų50.719%0.1928%0.283CS..G310 helixtrans-57.8-30.7178.700000112.9L159 Y163 G164 G165 C167 F168 N174L159-A161 PolarHBondContact O-N 3.42Å; A161-Y163 VanDerWaalsContact C-N 3.26Å; A161-Y163 PolarHBondContact O-N 3.25Å; A161-G164 PolarHBondContact O-N 2.79Å; A161-G165 WeakPolarHBondContact CA-O 3.35Å; A161-C167 WeakPolarHBondContact CB-O 3.43Å; A161-C167 PolarHBondContact N-O 3.31Å; A161-F168 HydrophobicContact CB-CD1 4.31Å; A161-F168 HydrophobicContact CB-CD2 4.34Å; A161-F168 HydrophobicContact CB-CE1 3.88Å; A161-F168 HydrophobicContact CB-CE2 3.9Å; A161-F168 HydrophobicContact CB-CZ 3.66Å; A161-N174 HydrophobicContact CB-CB 3.91Å; A161-N174 PolarHBondContact N-O 2.91Å
162F95.3Very high93.6Very high47 Ų4750.5 Ų50.521%0.20630%0.295CS..G310 helixtrans-56.7-38171.9-178.1-104.4000113P160 G164 N174 K175 Y182P160-F162 PolarHBondContact O-N 3.4Å; P160-F162 VanDerWaalsContact O-N 3.16Å; F162-G164 VanDerWaalsContact C-N 3.32Å; F162-N174 VanDerWaalsContact CB-O 3.27Å; F162-N174 WeakPolarHBondContact CB-O 3.49Å; F162-N174 PolarHBondContact N-O 3.14Å; F162-K175 HydrophobicContact CB-CB 4.41Å; F162-K175 HydrophobicContact CB-CG 3.68Å; F162-K175 HydrophobicContact CD1-CG 4.1Å; F162-K175 HydrophobicContact CD2-CD 4.23Å; F162-K175 VanDerWaalsContact CD2-CE 3.45Å; F162-K175 HydrophobicContact CD2-CG 3.68Å; F162-K175 HydrophobicContact CE2-CD 4.46Å; F162-K175 HydrophobicContact CE2-CG 4.36Å; F162-K175 HydrophobicContact CG-CD 4.41Å; F162-K175 HydrophobicContact CG-CG 3.53Å; F162-Y182 HydrophobicContact CD1-CE1 4.43Å; F162-Y182 HydrophobicContact CE1-CE1 4.33Å
163Y96.3Very high93.5Very high0 Ų047.8 Ų47.80%028%0.284CS..G310 helixtrans-91.310.3177.5-65.1-56.8000113.5Y36 D76 I114 Y146 P160 A161Y36-Y163 AromaticContact CD1-CD2 3.69Å; Y36-Y163 HydrophobicContact CD1-CD2 3.69Å; Y36-Y163 AromaticContact CD1-CE2 3.31Å; Y36-Y163 HydrophobicContact CD1-CE2 3.31Å; Y36-Y163 AromaticContact CE1-CD2 3.49Å; Y36-Y163 HydrophobicContact CE1-CD2 3.49Å; Y36-Y163 VanDerWaalsContact CE1-CD2 3.49Å; Y36-Y163 AromaticContact CE1-CE2 3.67Å; Y36-Y163 HydrophobicContact CE1-CE2 3.67Å; Y36-Y163 HydrophobicContact CE1-CG 4.34Å; Y36-Y163 HydrophobicContact CG-CE2 4.12Å; D76-Y163 HydrophobicContact CB-CE1 4.14Å; I114-Y163 HydrophobicContact CD1-CD1 3.61Å; I114-Y163 HydrophobicContact CD1-CE1 3.61Å; Y146-Y163 HydrophobicContact CE2-CD1 4.2Å; P160-Y163 HydrophobicContact CB-CD2 4.12Å; P160-Y163 HydrophobicContact CG-CD2 4.13Å; P160-Y163 PolarHBondContact O-N 2.88Å; A161-Y163 VanDerWaalsContact C-N 3.26Å; A161-Y163 PolarHBondContact O-N 3.25Å
164G95.1Very high93.5Very high26 Ų2650.2 Ų50.227%0.26830%0.297SS..THydrogen-bonded Turntrans96.28.8176.600000115.5P160 A161 F162P160-G164 PolarHBondContact O-N 3.45Å; A161-G164 PolarHBondContact O-N 2.79Å; F162-G164 VanDerWaalsContact C-N 3.32Å
165G96.3Very high93.3Very high9 Ų953.5 Ų53.59%0.09331%0.311CS..SBendtrans-87.1-159.6171.900000113.6P156 L159 P160 A161P156-G165 CarbonylContact O-C 3.49Å; P156-G165 WeakPolarHBondContact O-CA 3.05Å; L159-G165 WeakPolarHBondContact O-CA 3.47Å; P160-G165 PolarHBondContact O-N 3.07Å; P160-G165 VanDerWaalsContact O-N 3.14Å; A161-G165 WeakPolarHBondContact CA-O 3.35Å
166L95.7Very high93.1Very high110 Ų11052.4 Ų52.458%0.57630%0.302SS*.SBendtrans-117.51.9-179.6-62.8179.6000112.8P156 L159 F168P156-L166 HydrophobicContact CB-CB 4.46Å; P156-L166 HydrophobicContact CB-CD1 3.9Å; P156-L166 HydrophobicContact CB-CG 3.89Å; P156-L166 PolarHBondContact O-N 3.1Å; L159-L166 PolarHBondContact O-N 3.13Å; L166-F168 WeakPolarHBondContact O-CD2 3.48Å
167C93.7Very high92.8Very high30 Ų3053 Ų5320%0.20331%0.307CS..BIsolated β-bridgetrans-84.9132.6-176.5-146.80000112.5F25 E157 L159 A161F25-C167 HydrophobicContact CE1-CB 3.94Å; F25-C167 HydrophobicContact CZ-CB 4.09Å; F25-C167 WeakPolarHBondContact CZ-SG 3.3Å; E157-C167 WeakPolarHBondContact O-CB 3.04Å; E157-C167 PolarHBondContact O-SG 3.21Å; E157-C167 VanDerWaalsContact O-SG 3.35Å; L159-C167 WeakPolarHBondContact O-CB 3.37Å; L159-C167 PolarHBondContact O-N 3.21Å; L159-C167 VanDerWaalsContact O-N 3.08Å; A161-C167 WeakPolarHBondContact CB-O 3.43Å; A161-C167 PolarHBondContact N-O 3.31Å
168F92.9Very high92.5Very high120 Ų12053.6 Ų53.653%0.52631%0.31SS..  trans-123.2141.8174.7-66.1-97.4000109.2A161 L166 N174A161-F168 HydrophobicContact CB-CD1 4.31Å; A161-F168 HydrophobicContact CB-CD2 4.34Å; A161-F168 HydrophobicContact CB-CE1 3.88Å; A161-F168 HydrophobicContact CB-CE2 3.9Å; A161-F168 HydrophobicContact CB-CZ 3.66Å; L166-F168 WeakPolarHBondContact O-CD2 3.48Å; F168-N174 HydrophobicContact CD1-CB 3.98Å; F168-N174 HydrophobicContact CE1-CB 3.84Å
169G86.5Confident92.2Very high7 Ų751.9 Ų51.97%0.07231%0.308CS..  trans-66.7170.4172.100000112.5N171 G172 D173G169-N171 PolarHBondContact O-N 2.71Å; G169-G172 PolarHBondContact O-N 3.08Å; G169-D173 PolarHBondContact N-O 2.84Å
170S81.9Confident91.8Very high112 Ų11252 Ų5278%0.78331%0.308SS*.THydrogen-bonded Turntrans-51-28.5-174.359.80000115.4
171N85.7Confident91.5Very high152 Ų15253 Ų5381%0.81332%0.315SS*.THydrogen-bonded Turntrans-102.518.8-179-60.7-9.7000113.2G169 D173G169-N171 PolarHBondContact O-N 2.71Å; N171-D173 VanDerWaalsContact C-N 3.29Å
172G88.4Confident91.1Very high52 Ų5253.2 Ų53.254%0.53631%0.311SS..SBendtrans76.116.7-172.500000113.7G169 N174G169-G172 PolarHBondContact O-N 3.08Å; G172-N174 PolarHBondContact O-N 3.38Å
173D92.4Very high90.5Very high46 Ų4652.2 Ų52.225%0.24632%0.315CS..  trans-72110.8179.8176.818.2000111G169 N171 K175 C176 S177G169-D173 PolarHBondContact N-O 2.84Å; N171-D173 VanDerWaalsContact C-N 3.29Å; D173-K175 PolarHBondContact O-N 3.03Å; D173-K175 WeakPolarHBondContact OD1-CB 3.19Å; D173-K175 PolarHBondContact OD1-N 2.89Å; D173-C176 PolarHBondContact O-N 2.89Å; D173-C176 PolarHBondContact OD2-N 3.16Å; D173-S177 WeakPolarHBondContact OD2-CA 3.06Å; D173-S177 WeakPolarHBondContact OD2-CB 3.41Å; D173-S177 PolarHBondContact OD2-N 2.71Å; D173-S177 PolarHBondContact OD2-OG 3.3Å
174N95Very high89.6Confident71 Ų7153.3 Ų53.338%0.3833%0.325SS..THydrogen-bonded Turntrans-66.3-16.8-179.968.4-5.7000113.7A161 F162 F168 G172A161-N174 HydrophobicContact CB-CB 3.91Å; A161-N174 PolarHBondContact N-O 2.91Å; F162-N174 VanDerWaalsContact CB-O 3.27Å; F162-N174 WeakPolarHBondContact CB-O 3.49Å; F162-N174 PolarHBondContact N-O 3.14Å; F168-N174 HydrophobicContact CD1-CB 3.98Å; F168-N174 HydrophobicContact CE1-CB 3.84Å; G172-N174 PolarHBondContact O-N 3.38Å
175K93.3Very high88.6Confident69 Ų6957.6 Ų57.630%0.335%0.349SS..THydrogen-bonded Turntrans-89.8-10.2177.9-79.5-179179-174.20113.8F162 D173 S177 Y182F162-K175 HydrophobicContact CB-CB 4.41Å; F162-K175 HydrophobicContact CB-CG 3.68Å; F162-K175 HydrophobicContact CD1-CG 4.1Å; F162-K175 HydrophobicContact CD2-CD 4.23Å; F162-K175 VanDerWaalsContact CD2-CE 3.45Å; F162-K175 HydrophobicContact CD2-CG 3.68Å; F162-K175 HydrophobicContact CE2-CD 4.46Å; F162-K175 HydrophobicContact CE2-CG 4.36Å; F162-K175 HydrophobicContact CG-CD 4.41Å; F162-K175 HydrophobicContact CG-CG 3.53Å; D173-K175 PolarHBondContact O-N 3.03Å; D173-K175 WeakPolarHBondContact OD1-CB 3.19Å; D173-K175 PolarHBondContact OD1-N 2.89Å; K175-S177 PolarHBondContact O-N 2.95Å; K175-Y182 HydrophobicContact CB-CD2 4.41Å; K175-Y182 HydrophobicContact CB-CE2 3.56Å; K175-Y182 HydrophobicContact CD-CD2 4.41Å; K175-Y182 HydrophobicContact CD-CE1 4.24Å; K175-Y182 HydrophobicContact CD-CE2 4.15Å; K175-Y182 HydrophobicContact CG-CE1 4.42Å; K175-Y182 HydrophobicContact CG-CE2 4.15Å; K175-Y182 WeakPolarHBondContact O-CE2 3.17Å; K175-Y182 PolarHBondContact O-OH 2.71Å
176C91.5Very high87.4Confident0 Ų057.6 Ų57.60%035%0.347CS..  trans52.842.9-174.3-59.80000112.2F25 P160 D173 H178 A179 I180F25-C176 HydrophobicContact CD2-CB 4.15Å; F25-C176 HydrophobicContact CE1-CB 4.38Å; F25-C176 HydrophobicContact CE2-CB 3.84Å; F25-C176 HydrophobicContact CZ-CB 3.95Å; F25-C176 WeakPolarHBondContact CZ-SG 2.88Å; P160-C176 HydrophobicContact CB-CB 4.41Å; P160-C176 HydrophobicContact CG-CB 4.28Å; D173-C176 PolarHBondContact O-N 2.89Å; D173-C176 PolarHBondContact OD2-N 3.16Å; C176-H178 PolarHBondContact O-N 3.1Å; C176-A179 PolarHBondContact O-N 3.35Å; C176-I180 PolarHBondContact O-N 2.96Å
177S90.3Very high86.3Confident59 Ų5954.3 Ų54.341%0.41333%0.332SS..THydrogen-bonded Turntrans-65.7-9.2-174.5-43.30000114.1D173 K175 A179 I180D173-S177 WeakPolarHBondContact OD2-CA 3.06Å; D173-S177 WeakPolarHBondContact OD2-CB 3.41Å; D173-S177 PolarHBondContact OD2-N 2.71Å; D173-S177 PolarHBondContact OD2-OG 3.3Å; K175-S177 PolarHBondContact O-N 2.95Å; S177-A179 VanDerWaalsContact C-N 3.28Å; S177-I180 WeakPolarHBondContact CA-O 3.29Å
178H87.9Confident85.1Confident122 Ų12261 Ų6157%0.56536%0.358SS*.THydrogen-bonded Turntrans-67.6-30.116966.3-79.6000112.2F25 C176F25-H178 AromaticContact CE2-CE1 3.92Å; F25-H178 AromaticContact CE2-NE2 3.85Å; C176-H178 PolarHBondContact O-N 3.1Å
179A87.8Confident83.7Confident35 Ų3562.4 Ų62.429%0.28937%0.366SS..THydrogen-bonded Turntrans-109.8-26.3179.200000112.5G23 F25 C176 S177G23-A179 WeakPolarHBondContact CA-O 3.49Å; F25-A179 HydrophobicContact CB-CB 4.4Å; F25-A179 HydrophobicContact CD2-CB 3.63Å; F25-A179 HydrophobicContact CE2-CB 4.43Å; F25-A179 HydrophobicContact CG-CB 4.47Å; C176-A179 PolarHBondContact O-N 3.35Å; S177-A179 VanDerWaalsContact C-N 3.28Å
180I89.6Confident82.5Confident1 Ų164 Ų641%0.00537%0.373CS..BIsolated β-bridgetrans-110.8113.8-177.8-51.5173.6000111.1F25 Y36 P38 P160 C176 S177 Y182F25-I180 HydrophobicContact CB-CD1 4.05Å; F25-I180 HydrophobicContact CB-CG1 4.06Å; F25-I180 HydrophobicContact CG-CD1 4.48Å; Y36-I180 HydrophobicContact CD1-CD1 4.48Å; Y36-I180 HydrophobicContact CD2-CD1 3.58Å; Y36-I180 HydrophobicContact CD2-CG1 4.21Å; Y36-I180 HydrophobicContact CE2-CD1 4.1Å; Y36-I180 HydrophobicContact CG-CD1 3.8Å; P38-I180 HydrophobicContact CG-CG2 3.93Å; P160-I180 HydrophobicContact CG-CD1 3.85Å; C176-I180 PolarHBondContact O-N 2.96Å; S177-I180 WeakPolarHBondContact CA-O 3.29Å; I180-Y182 HydrophobicContact CB-CD2 4.42Å; I180-Y182 HydrophobicContact CB-CE2 3.76Å; I180-Y182 HydrophobicContact CG2-CD2 4.14Å; I180-Y182 HydrophobicContact CG2-CE1 4.43Å; I180-Y182 HydrophobicContact CG2-CE2 3.65Å; I180-Y182 VanDerWaalsContact O-CD2 3.23Å; I180-Y182 WeakPolarHBondContact O-CD2 3.45Å; I180-Y182 PolarHBondContact O-N 3Å
181S88.8Confident81.5Confident23 Ų2360.5 Ų60.516%0.16134%0.344CS..  trans-76.9115.2169.7-178.60000110H17 F20 T21 R22 G183H17-S181 PolarHBondContact O-OG 3.03Å; F20-S181 WeakPolarHBondContact O-CB 3.48Å; F20-S181 PolarHBondContact O-OG 3.15Å; T21-S181 CarbonylContact C-O 3.54Å; T21-S181 VanDerWaalsContact CA-O 3.26Å; T21-S181 WeakPolarHBondContact CA-O 2.93Å; R22-S181 PolarHBondContact N-O 3.05Å; R22-S181 WeakPolarHBondContact O-CB 3.47Å; R22-S181 PolarHBondContact O-N 2.99Å; S181-G183 VanDerWaalsContact C-N 3.27Å; S181-G183 PolarHBondContact OG-N 2.97Å
182Y88.4Confident79.9Confident26 Ų2655.2 Ų55.210%0.10231%0.314CS..  trans-89.28.1172.7-70.3-90.9000112.7P38 N41 F162 K175 I180P38-Y182 HydrophobicContact CB-CD1 3.66Å; P38-Y182 HydrophobicContact CB-CE1 4.16Å; P38-Y182 HydrophobicContact CB-CG 4.44Å; P38-Y182 HydrophobicContact CG-CD1 3.58Å; P38-Y182 HydrophobicContact CG-CE1 3.79Å; P38-Y182 HydrophobicContact CG-CG 4.19Å; N41-Y182 WeakPolarHBondContact CB-O 3.46Å; N41-Y182 PolarHBondContact ND2-O 3.04Å; F162-Y182 HydrophobicContact CD1-CE1 4.43Å; F162-Y182 HydrophobicContact CE1-CE1 4.33Å; K175-Y182 HydrophobicContact CB-CD2 4.41Å; K175-Y182 HydrophobicContact CB-CE2 3.56Å; K175-Y182 HydrophobicContact CD-CD2 4.41Å; K175-Y182 HydrophobicContact CD-CE1 4.24Å; K175-Y182 HydrophobicContact CD-CE2 4.15Å; K175-Y182 HydrophobicContact CG-CE1 4.42Å; K175-Y182 HydrophobicContact CG-CE2 4.15Å; K175-Y182 WeakPolarHBondContact O-CE2 3.17Å; K175-Y182 PolarHBondContact O-OH 2.71Å; I180-Y182 HydrophobicContact CB-CD2 4.42Å; I180-Y182 HydrophobicContact CB-CE2 3.76Å; I180-Y182 HydrophobicContact CG2-CD2 4.14Å; I180-Y182 HydrophobicContact CG2-CE1 4.43Å; I180-Y182 HydrophobicContact CG2-CE2 3.65Å; I180-Y182 VanDerWaalsContact O-CD2 3.23Å; I180-Y182 WeakPolarHBondContact O-CD2 3.45Å; I180-Y182 PolarHBondContact O-N 3Å
183G83.4Confident78Confident27 Ų2757.9 Ų57.928%0.27832%0.316SS..  trans65.1-148.2179.200000113.4S181S181-G183 VanDerWaalsContact C-N 3.27Å; S181-G183 PolarHBondContact OG-N 2.97Å
184G77.9Confident76.1Confident22 Ų2258.2 Ų58.223%0.22732%0.318CS..  trans155174.9-175.800000111.8V186G184-V186 PolarHBondContact O-N 2.92Å
185P72.6Confident73.9Confident116 Ų11659.4 Ų59.475%0.75333%0.328SS*.PPolyproline II helixtrans-60.9125.6177.826.4-33.1000109.6Y19Y19-P185 WeakPolarHBondContact CE1-O 3.46Å
186V73Confident72.2Confident10 Ų1059 Ų596%0.06133%0.33CS..PPolyproline II helixtrans-73.6138.9174.51790000107.7Y19 D43 G184 L190 H191Y19-V186 HydrophobicContact CD1-CB 4.47Å; Y19-V186 HydrophobicContact CD1-CG2 3.84Å; Y19-V186 HydrophobicContact CD2-CG2 4.48Å; Y19-V186 HydrophobicContact CG-CG2 3.79Å; D43-V186 HydrophobicContact CB-CB 4.04Å; D43-V186 HydrophobicContact CB-CG2 3.54Å; G184-V186 PolarHBondContact O-N 2.92Å; V186-L190 HydrophobicContact CG1-CB 3.55Å; V186-L190 HydrophobicContact CG1-CD1 4.44Å; V186-H191 PolarHBondContact O-NE2 2.8Å
187P72.1Confident71.1Confident41 Ų4164.9 Ų64.927%0.26635%0.353SS..PPolyproline II helixtrans-58140.3170.8-25.431.9000110.5Y19 E189 L190 H191Y19-P187 HydrophobicContact CE2-CG 4.32Å; Y19-P187 WeakPolarHBondContact OH-CD 3.29Å; Y19-P187 VanDerWaalsContact OH-CG 3.28Å; Y19-P187 WeakPolarHBondContact OH-CG 3.46Å; P187-E189 WeakPolarHBondContact CB-OE2 3.44Å; P187-E189 PolarHBondContact O-N 3.26Å; P187-L190 HydrophobicContact CB-CG 4.47Å; P187-L190 HydrophobicContact CG-CD1 4.25Å; P187-L190 WeakPolarHBondContact O-CA 3.48Å; P187-L190 WeakPolarHBondContact O-CB 3.41Å; P187-L190 PolarHBondContact O-N 2.93Å; P187-H191 PolarHBondContact O-CD2 3.14Å; P187-H191 VanDerWaalsContact O-CD2 3.31Å; P187-H191 PolarHBondContact O-N 3.48Å
188K68.3Low70.3Confident171 Ų17163.6 Ų63.674%0.74334%0.343SS*.THydrogen-bonded Turntrans-59.6-26.1-176-69.3-175.3-175.11770112.6L190 H191K188-L190 PolarHBondContact O-N 3.25Å; K188-H191 WeakPolarHBondContact O-CB 3.4Å; K188-H191 PolarHBondContact O-N 3.41Å
189E62.8Low70Confident148 Ų14864.3 Ų64.369%0.69236%0.362SS*.THydrogen-bonded Turntrans-67-26.5177.4-53.271.5-149.800111.9P187P187-E189 WeakPolarHBondContact CB-OE2 3.44Å; P187-E189 PolarHBondContact O-N 3.26Å
190L62.7Low69.8Low41 Ų4169.8 Ų69.822%0.21538%0.379CS..THydrogen-bonded Turntrans-96.2-10.1175.9-59-177.9000112.7Q15 Y19 V186 P187 K188Q15-L190 HydrophobicContact CB-CD1 4.2Å; Q15-L190 HydrophobicContact CG-CD1 4.32Å; Y19-L190 HydrophobicContact CD2-CD1 4.4Å; Y19-L190 HydrophobicContact CE2-CD1 4.02Å; V186-L190 HydrophobicContact CG1-CB 3.55Å; V186-L190 HydrophobicContact CG1-CD1 4.44Å; P187-L190 HydrophobicContact CB-CG 4.47Å; P187-L190 HydrophobicContact CG-CD1 4.25Å; P187-L190 WeakPolarHBondContact O-CA 3.48Å; P187-L190 WeakPolarHBondContact O-CB 3.41Å; P187-L190 PolarHBondContact O-N 2.93Å; K188-L190 PolarHBondContact O-N 3.25Å
191H60Low69.7Low39 Ų3971.7 Ų71.718%0.18139%0.389CS..SBendtrans-59.7150.7172.7-69.9-177000110.2D43 K45 V186 P187 K188 N193D43-H191 IonicContact OD2-CD2 3.53Å; D43-H191 IonicContact OD2-CE1 2.77Å; D43-H191 IonicContact OD2-NE2 3.97Å; D43-H191 PolarHBondContact OD2-NE2 3.07Å; D43-H191 VanDerWaalsContact OD2-NE2 3.08Å; K45-H191 CarbonylContact O-C 3.48Å; K45-H191 WeakPolarHBondContact O-CA 3.36Å; V186-H191 PolarHBondContact O-NE2 2.8Å; P187-H191 PolarHBondContact O-CD2 3.14Å; P187-H191 VanDerWaalsContact O-CD2 3.31Å; P187-H191 PolarHBondContact O-N 3.48Å; K188-H191 WeakPolarHBondContact O-CB 3.4Å; K188-H191 PolarHBondContact O-N 3.41Å; H191-N193 VanDerWaalsContact C-N 3.28Å; H191-N193 PolarHBondContact O-N 3.27Å
192F51.2Low69.6Low41 Ų4173.3 Ų73.318%0.1840%0.398CS..  trans-51.9101.5156.7-176.1-95.8000107.4K45 E47 W86 D194 Y272K45-F192 VanDerWaalsContact O-CB 3.3Å; K45-F192 WeakPolarHBondContact O-CB 3.18Å; K45-F192 PolarHBondContact O-N 3.08Å; E47-F192 HydrophobicContact CB-CB 3.95Å; E47-F192 HydrophobicContact CB-CD2 4.17Å; E47-F192 HydrophobicContact CB-CG 4.4Å; E47-F192 WeakPolarHBondContact OE2-CD2 3.44Å; E47-F192 WeakPolarHBondContact OE2-CE2 3.34Å; W86-F192 HydrophobicContact CH2-CB 3.85Å; W86-F192 HydrophobicContact CH2-CD1 4.16Å; W86-F192 HydrophobicContact CH2-CD2 4.29Å; W86-F192 AromaticContact CH2-CG 3.82Å; W86-F192 HydrophobicContact CH2-CG 3.82Å; W86-F192 HydrophobicContact CZ2-CB 4.18Å; W86-F192 AromaticContact CZ2-CD1 3.76Å; W86-F192 HydrophobicContact CZ2-CD1 3.76Å; W86-F192 HydrophobicContact CZ2-CE1 4.33Å; W86-F192 AromaticContact CZ2-CG 3.92Å; W86-F192 HydrophobicContact CZ2-CG 3.92Å; F192-D194 HydrophobicContact CE1-CB 4.18Å; F192-Y272 WeakPolarHBondContact CE2-OH 3.32Å; F192-Y272 HydrophobicContact CZ-CE1 4.13Å; F192-Y272 VanDerWaalsContact CZ-OH 3.32Å; F192-Y272 WeakPolarHBondContact CZ-OH 3.03Å
193N49.4Very low69.7Low108 Ų10875.8 Ų75.858%0.57842%0.424SS*.  trans-79.8134.7161-169.512.1000105.2H191 T195H191-N193 VanDerWaalsContact C-N 3.28Å; H191-N193 PolarHBondContact O-N 3.27Å; N193-T195 HydrophobicContact CB-CG2 3.8Å; N193-T195 PolarHBondContact O-N 3.42Å; N193-T195 PolarHBondContact O-OG1 2.91Å
194D52.8Low70Confident53 Ų5375.6 Ų75.628%0.28342%0.417SS..  trans-71.450.4175.8-164.810.8000109.4F192 V196 R197F192-D194 HydrophobicContact CE1-CB 4.18Å; D194-V196 PolarHBondContact O-N 3.06Å; D194-V196 VanDerWaalsContact O-N 3.16Å; D194-R197 HydrophobicContact CB-CB 4.37Å; D194-R197 WeakPolarHBondContact O-CB 3.44Å; D194-R197 PolarHBondContact O-N 2.76Å; D194-R197 PolarHBondContact OD1-N 3.3Å
195T48.9Very low70.6Confident96 Ų9677.3 Ų77.359%0.58942%0.423SS*.THydrogen-bonded Turntrans-63.2-17.9178.9500000111.4N193 R197N193-T195 HydrophobicContact CB-CG2 3.8Å; N193-T195 PolarHBondContact O-N 3.42Å; N193-T195 PolarHBondContact O-OG1 2.91Å; T195-R197 VanDerWaalsContact C-N 3.34Å
196V56.8Low71.3Confident59 Ų5971.8 Ų71.836%0.35839%0.387SS..THydrogen-bonded Turntrans-81.1-17.8175.9-1680000111D194 P198 Y272D194-V196 PolarHBondContact O-N 3.06Å; D194-V196 VanDerWaalsContact O-N 3.16Å; V196-P198 WeakPolarHBondContact O-CD 3.4Å; V196-P198 WeakPolarHBondContact O-CG 3.43Å; V196-Y272 HydrophobicContact CB-CD2 4.34Å; V196-Y272 HydrophobicContact CB-CE2 4.28Å; V196-Y272 HydrophobicContact CG1-CD2 3.64Å; V196-Y272 HydrophobicContact CG1-CE2 4.01Å; V196-Y272 HydrophobicContact CG1-CG 3.94Å; V196-Y272 HydrophobicContact CG2-CD2 4.39Å; V196-Y272 HydrophobicContact CG2-CE2 3.9Å
197R69.4Low72.1Confident124 Ų12475.6 Ų75.647%0.46841%0.408SS..SBendtrans-58.3113.1175.5-174173.8-175-176.53.9109.2D194 T195 L201 Y228D194-R197 HydrophobicContact CB-CB 4.37Å; D194-R197 WeakPolarHBondContact O-CB 3.44Å; D194-R197 PolarHBondContact O-N 2.76Å; D194-R197 PolarHBondContact OD1-N 3.3Å; T195-R197 VanDerWaalsContact C-N 3.34Å; R197-L201 HydrophobicContact CG-CD1 4.27Å; R197-Y228 HydrophobicContact CB-CE2 4.24Å; R197-Y228 HydrophobicContact CG-CE2 4.42Å
198P73.8Confident72.8Confident32 Ų3280.8 Ų80.821%0.20842%0.422CS..  trans-67.8148.3-179.2-25.842.2000109.9V196 K200 Y228 N320V196-P198 WeakPolarHBondContact O-CD 3.4Å; V196-P198 WeakPolarHBondContact O-CG 3.43Å; P198-K200 PolarHBondContact O-N 2.78Å; P198-Y228 HydrophobicContact CG-CG 4.34Å; P198-N320 HydrophobicContact CB-CB 3.83Å; P198-N320 WeakPolarHBondContact CB-OD1 3.5Å; P198-N320 HydrophobicContact CG-CB 3.67Å; P198-N320 VanDerWaalsContact CG-CG 3.48Å; P198-N320 WeakPolarHBondContact CG-OD1 3.18Å
199S79.9Confident73.7Confident137 Ų13778 Ų7896%0.95841%0.411SS*.SBendtrans-58.8-30.4178.153.60000112.4
200K84.7Confident74.9Confident151 Ų15172.5 Ų72.566%0.65739%0.389SS*.  trans-113.3122.9178.1-172.9178.2179.2-177.70110.7P198 N320P198-K200 PolarHBondContact O-N 2.78Å; K200-N320 WeakPolarHBondContact O-CB 3.47Å; K200-N320 PolarHBondContact O-ND2 3.06Å
201L86.7Confident76.2Confident41 Ų4173.1 Ų73.122%0.21539%0.391CS..  trans-117.4138172.1-70.9168.3000109.8R197 Y228 E318 N320R197-L201 HydrophobicContact CG-CD1 4.27Å; L201-Y228 HydrophobicContact CD1-CE1 4.32Å; L201-Y228 HydrophobicContact CD2-CD1 3.46Å; L201-Y228 VanDerWaalsContact CD2-CD1 3.46Å; L201-Y228 HydrophobicContact CD2-CE1 3.46Å; L201-Y228 VanDerWaalsContact CD2-CE1 3.46Å; L201-E318 HydrophobicContact CB-CB 4.31Å; L201-E318 HydrophobicContact CD1-CB 4.43Å; L201-E318 HydrophobicContact CD2-CB 4.48Å; L201-N320 HydrophobicContact CD2-CB 4.04Å
202T88Confident77.5Confident56 Ų5673.5 Ų73.534%0.34439%0.394SS..EExtended strand (participates in β ladder)trans-102.4124.1175.1-57.10000108.9E318 Y319T202-E318 CarbonylContact O-C 3.51Å; T202-E318 WeakPolarHBondContact O-CA 3.1Å; T202-Y319 HydrophobicContact CG2-CE1 3.66Å; T202-Y319 PolarHBondContact N-O 3.07Å; T202-Y319 VanDerWaalsContact O-CD1 3.27Å; T202-Y319 WeakPolarHBondContact O-CD1 3.15Å; T202-Y319 PolarHBondContact O-N 3.07Å
203A89.9Confident79.1Confident79 Ų7973.6 Ų73.665%0.65340%0.396SS*.EExtended strand (participates in β ladder)trans-79138.5173.800000110.6L317A203-L317 CarbonylContact C-O 3.6Å; A203-L317 WeakPolarHBondContact CA-O 3.36Å
204V89.1Confident80.7Confident22 Ų2269.5 Ų69.513%0.13337%0.374CS..EExtended strand (participates in β ladder)trans-139.1145175.566.50000110.5I212 L305 L317 Y319V204-I212 HydrophobicContact CG2-CD1 3.68Å; V204-L305 HydrophobicContact CG1-CD1 3.73Å; V204-L317 HydrophobicContact CG1-CB 3.86Å; V204-L317 HydrophobicContact CG1-CD1 4.47Å; V204-L317 PolarHBondContact N-O 2.83Å; V204-L317 PolarHBondContact O-N 2.88Å; V204-Y319 HydrophobicContact CB-CD1 4.07Å; V204-Y319 HydrophobicContact CB-CE1 3.87Å; V204-Y319 HydrophobicContact CG1-CD1 3.64Å; V204-Y319 HydrophobicContact CG1-CE1 3.95Å
205T89.9Confident82Confident58 Ų5870.7 Ų70.736%0.35638%0.384SS..EExtended strand (participates in β ladder)trans-117.5116.3172.6-61.10000109.2I212 K315 H316T205-I212 WeakPolarHBondContact O-CD1 3.27Å; T205-K315 CarbonylContact C-O 3.51Å; T205-K315 WeakPolarHBondContact CA-O 3.37Å; T205-H316 WeakPolarHBondContact CG2-ND1 3.48Å; T205-H316 PolarHBondContact OG1-ND1 2.87Å
206V88.3Confident83.4Confident0 Ų066.6 Ų66.60%036%0.359CS..EExtended strand (participates in β ladder)trans-91.2107.4172.6-163.40000107.6I212 V237 L305 N307 S314 K315 L317V206-I212 HydrophobicContact CB-CD1 4.45Å; V206-I212 HydrophobicContact CG1-CD1 4.49Å; V206-I212 HydrophobicContact CG1-CG1 4.37Å; V206-I212 HydrophobicContact CG2-CD1 4.2Å; V206-V237 HydrophobicContact CG2-CG2 4.49Å; V206-L305 HydrophobicContact CG2-CB 3.69Å; V206-L305 HydrophobicContact CG2-CD1 3.97Å; V206-L305 HydrophobicContact CG2-CG 4.47Å; V206-N307 HydrophobicContact CB-CB 4.03Å; V206-N307 HydrophobicContact CG1-CB 3.42Å; V206-N307 VanDerWaalsContact CG1-CB 3.42Å; V206-N307 PolarHBondContact O-ND2 3.23Å; V206-S314 WeakPolarHBondContact O-CA 3.27Å; V206-K315 PolarHBondContact N-O 2.81Å; V206-K315 PolarHBondContact O-N 3.2Å; V206-L317 HydrophobicContact CG2-CD1 3.7Å
207N89.4Confident84Confident91 Ų9171.3 Ų71.349%0.48738%0.377SS..  trans-62.9156.8-178.3-71.2-39.9000111.5S210 N307 S314N207-S210 VanDerWaalsContact C-OG 3.25Å; N207-S210 WeakPolarHBondContact CA-OG 3.44Å; N207-S210 WeakPolarHBondContact CB-OG 3.09Å; N207-S210 PolarHBondContact N-OG 3.04Å; N207-S210 VanDerWaalsContact N-OG 3.12Å; N207-S210 PolarHBondContact O-N 3.16Å; N207-S210 PolarHBondContact O-OG 3.34Å; N207-N307 WeakPolarHBondContact O-CB 3.35Å; N207-N307 PolarHBondContact O-ND2 2.99Å; N207-S314 WeakPolarHBondContact CA-OG 3.49Å
208R86.8Confident84.1Confident150 Ų15065.8 Ų65.857%0.56636%0.357SS*.THydrogen-bonded Turntrans-50.7145.4169.864.5176179.6-171.4-0.7111.2S210 S310 Y311 S314R208-S210 PolarHBondContact O-N 3.42Å; R208-S310 WeakPolarHBondContact CB-O 3.28Å; R208-Y311 WeakPolarHBondContact CD-O 3.03Å; R208-S314 PolarHBondContact N-OG 3.38Å
209Q86.7Confident83.7Confident112 Ų11273 Ų7352%0.52339%0.388SS..THydrogen-bonded Turntrans54.219.3178.7-58.6-178.7-53.200115.1N307 S310Q209-N307 PolarHBondContact N-O 2.88Å; Q209-N307 VanDerWaalsContact N-O 3.13Å; Q209-S310 PolarHBondContact N-O 3.29Å; Q209-S310 VanDerWaalsContact N-O 3.14Å
210S88.9Confident83.1Confident32 Ų3268.3 Ų68.322%0.22435%0.354CS..  trans-123.1166.4-177.2780000111.9N207 R208 N307 K308N207-S210 VanDerWaalsContact C-OG 3.25Å; N207-S210 WeakPolarHBondContact CA-OG 3.44Å; N207-S210 WeakPolarHBondContact CB-OG 3.09Å; N207-S210 PolarHBondContact N-OG 3.04Å; N207-S210 VanDerWaalsContact N-OG 3.12Å; N207-S210 PolarHBondContact O-N 3.16Å; N207-S210 PolarHBondContact O-OG 3.34Å; R208-S210 PolarHBondContact O-N 3.42Å; S210-N307 CarbonylContact O-C 3.19Å; S210-N307 VanDerWaalsContact O-CA 3.23Å; S210-N307 WeakPolarHBondContact O-CA 3.38Å; S210-N307 WeakPolarHBondContact O-CB 3.27Å; S210-N307 PolarHBondContact O-N 3.27Å; S210-K308 PolarHBondContact O-N 2.71Å
211E89Confident82.3Confident54 Ų5465 Ų6525%0.25234%0.343SS..EExtended strand (participates in β ladder)trans-135.8154.9167.569.9-170.2157.100109.6I252 R304 L305 N306 K308E211-I252 VanDerWaalsContact OE1-CD1 3.29Å; E211-I252 WeakPolarHBondContact OE1-CD1 3.35Å; E211-I252 VanDerWaalsContact OE2-CD1 3.28Å; E211-I252 WeakPolarHBondContact OE2-CD1 2.99Å; E211-R304 IonicContact OE2-CZ 2.79Å; E211-R304 VanDerWaalsContact OE2-CZ 3.25Å; E211-R304 IonicContact OE2-NE 3.08Å; E211-R304 PolarHBondContact OE2-NE 3.38Å; E211-R304 IonicContact OE2-NH2 3.66Å; E211-R304 PolarHBondContact OE2-NH2 2.86Å; E211-L305 CarbonylContact C-O 3.6Å; E211-L305 WeakPolarHBondContact CA-O 3.42Å; E211-L305 WeakPolarHBondContact CB-O 2.91Å; E211-N306 HydrophobicContact CB-CB 4.39Å; E211-K308 VanDerWaalsContact CD-CE 3.43Å; E211-K308 VanDerWaalsContact CD-NZ 3.35Å; E211-K308 WeakPolarHBondContact OE1-CE 3.37Å; E211-K308 IonicContact OE1-NZ 2.6Å; E211-K308 PolarHBondContact OE1-NZ 3.04Å; E211-K308 IonicContact OE2-NZ 3.76Å
212I87.3Confident81.5Confident48 Ų4866.5 Ų66.525%0.24635%0.351CS..EExtended strand (participates in β ladder)trans-121.9132.5177.4-65177.4000107.6V204 T205 V206 I214 R304 L305V204-I212 HydrophobicContact CG2-CD1 3.68Å; T205-I212 WeakPolarHBondContact O-CD1 3.27Å; V206-I212 HydrophobicContact CB-CD1 4.45Å; V206-I212 HydrophobicContact CG1-CD1 4.49Å; V206-I212 HydrophobicContact CG1-CG1 4.37Å; V206-I212 HydrophobicContact CG2-CD1 4.2Å; I212-I214 HydrophobicContact CG2-CD1 4.31Å; I212-I214 HydrophobicContact CG2-CG1 3.74Å; I212-R304 WeakPolarHBondContact O-CA 3.32Å; I212-L305 PolarHBondContact N-O 3.02Å; I212-L305 PolarHBondContact O-N 3.31Å
213L85.1Confident80.9Confident43 Ų4363.8 Ų63.823%0.22534%0.335CS..EExtended strand (participates in β ladder)trans-104.8118.5167.2-64178.3000107.8D250 I252 M255 F302 M303 R304L213-D250 WeakPolarHBondContact CD1-O 3.44Å; L213-I252 HydrophobicContact CD1-CG1 4.26Å; L213-I252 HydrophobicContact CD2-CD1 4.12Å; L213-I252 HydrophobicContact CD2-CG1 4.03Å; L213-M255 HydrophobicContact CD1-CE 4.05Å; L213-F302 HydrophobicContact CB-CD1 4.01Å; L213-F302 HydrophobicContact CD2-CB 4.41Å; L213-M303 CarbonylContact C-O 3.57Å; L213-M303 WeakPolarHBondContact CA-O 3.29Å; L213-R304 HydrophobicContact CD2-CB 3.78Å; L213-R304 HydrophobicContact CD2-CG 3.9Å
214I83.8Confident79.9Confident22 Ų2261.3 Ų61.311%0.11331%0.311CS..EExtended strand (participates in β ladder)trans-101.3115.1175.4-51.8-162.4000107.2I212 F302 M303 L305 Y319I212-I214 HydrophobicContact CG2-CD1 4.31Å; I212-I214 HydrophobicContact CG2-CG1 3.74Å; I214-F302 CarbonylContact O-C 3.54Å; I214-F302 WeakPolarHBondContact O-CA 3.28Å; I214-M303 HydrophobicContact CB-CB 4.33Å; I214-M303 HydrophobicContact CB-CE 3.93Å; I214-M303 HydrophobicContact CD1-CE 3.2Å; I214-M303 HydrophobicContact CG1-CE 3.63Å; I214-M303 PolarHBondContact N-O 2.9Å; I214-M303 PolarHBondContact O-N 3.16Å; I214-L305 HydrophobicContact CD1-CD1 4.48Å; I214-Y319 HydrophobicContact CD1-CD1 4.17Å; I214-Y319 HydrophobicContact CD1-CD2 4.46Å; I214-Y319 HydrophobicContact CD1-CE1 3.48Å; I214-Y319 VanDerWaalsContact CD1-CE1 3.48Å; I214-Y319 HydrophobicContact CD1-CE2 3.81Å; I214-Y319 WeakPolarHBondContact CD1-OH 3.07Å; I214-Y319 HydrophobicContact CG2-CE2 4.22Å
215P80.4Confident79.2Confident77 Ų7760.3 Ų60.350%0.531%0.305SS..EExtended strand (participates in β ladder)trans-65.2141.4177.427.9-33.7000110.3D301 F302P215-D301 CarbonylContact C-O 3.56Å; P215-F302 HydrophobicContact CB-CD1 4.22Å; P215-F302 HydrophobicContact CB-CE1 4Å
216L77.2Confident78.6Confident11 Ų1159.2 Ų59.26%0.05830%0.3CS..EExtended strand (participates in β ladder)trans-118117.6175.1-57.4174.5000107V218 I225 I241 D301 F321L216-V218 PolarHBondContact O-N 2.77Å; L216-I225 HydrophobicContact CD1-CD1 4.49Å; L216-I225 HydrophobicContact CD1-CG2 3.97Å; L216-I241 HydrophobicContact CD1-CG2 4.43Å; L216-D301 HydrophobicContact CB-CB 4.01Å; L216-D301 HydrophobicContact CD1-CB 4.3Å; L216-D301 PolarHBondContact N-O 3.02Å; L216-D301 PolarHBondContact O-N 3.44Å; L216-F321 HydrophobicContact CD1-CD1 3.94Å; L216-F321 HydrophobicContact CD1-CE1 4.01Å; L216-F321 HydrophobicContact CD2-CB 3.79Å; L216-F321 HydrophobicContact CD2-CD1 3.5Å; L216-F321 VanDerWaalsContact CD2-CD1 3.5Å; L216-F321 HydrophobicContact CD2-CD2 3.96Å; L216-F321 HydrophobicContact CD2-CE1 4.06Å; L216-F321 HydrophobicContact CD2-CG 3.45Å; L216-F321 VanDerWaalsContact CD2-CG 3.45Å; L216-F321 HydrophobicContact CG-CD1 4.39Å
217E70.9Confident78Confident158 Ų15860.5 Ų60.574%0.73831%0.305SS*.EExtended strand (participates in β ladder)trans-77.5107.2177-67.5174.6-177.400108.9
218V70.5Confident77.5Confident8 Ų856.2 Ų56.25%0.04828%0.282CS..  trans-118.897.2177.1-178.40000108.8L216 T220 A223 I225 D301 V323L216-V218 PolarHBondContact O-N 2.77Å; V218-T220 VanDerWaalsContact C-N 3.29Å; V218-T220 WeakPolarHBondContact CG1-O 3.29Å; V218-T220 PolarHBondContact O-N 2.99Å; V218-A223 HydrophobicContact CG1-CB 3.54Å; V218-I225 HydrophobicContact CG2-CD1 3.96Å; V218-I225 HydrophobicContact CG2-CG1 4.04Å; V218-D301 WeakPolarHBondContact CB-OD2 3.09Å; V218-D301 HydrophobicContact CG2-CB 4.32Å; V218-D301 WeakPolarHBondContact CG2-OD2 3.02Å; V218-V323 HydrophobicContact CB-CG1 4.35Å; V218-V323 HydrophobicContact CG1-CG1 4.15Å; V218-V323 HydrophobicContact CG2-CG1 3.92Å; V218-V323 HydrophobicContact CG2-CG2 3.92Å
219E64.7Low77.1Confident182 Ų18249.1 Ų49.185%0.8526%0.255SS*.  trans-72-21-173.8-61.8-179172.700113.8
220T67.1Low76.6Confident39 Ų3946.5 Ų46.524%0.23924%0.242CC..SBendtrans-124.1145.6-170.567.60000112.7V218 L222 V325V218-T220 VanDerWaalsContact C-N 3.29Å; V218-T220 WeakPolarHBondContact CG1-O 3.29Å; V218-T220 PolarHBondContact O-N 2.99Å; T220-L222 PolarHBondContact O-N 2.9Å; T220-L222 VanDerWaalsContact O-N 3.13Å; T220-L222 PolarHBondContact OG1-O 3.16Å; T220-V325 HydrophobicContact CG2-CB 4.47Å; T220-V325 HydrophobicContact CG2-CG1 3.9Å; T220-V325 HydrophobicContact CG2-CG2 3.7Å
221D67.9Low75.9Confident82 Ų8245.2 Ų45.244%0.43923%0.233SC..SBendtrans-65.2-11.5174.3-72.1-24.1000115R279D221-R279 HydrophobicContact CB-CB 3.89Å; D221-R279 PolarHBondContact O-N 2.8Å; D221-R279 WeakPolarHBondContact OD1-CD 3.22Å
222L71.1Confident75.3Confident72 Ų7247.2 Ų47.238%0.37725%0.245SC..EExtended strand (participates in β ladder)trans-127.780.2-179.8-70172.3000109.9T220 V277 N278 V326T220-L222 PolarHBondContact O-N 2.9Å; T220-L222 VanDerWaalsContact O-N 3.13Å; T220-L222 PolarHBondContact OG1-O 3.16Å; L222-V277 WeakPolarHBondContact CA-O 2.97Å; L222-N278 HydrophobicContact CD2-CB 4.18Å; L222-V326 HydrophobicContact CB-CB 4.45Å; L222-V326 PolarHBondContact O-N 2.6Å
223A74.1Confident74.4Confident0 Ų045.7 Ų45.70%024%0.238CC..EExtended strand (participates in β ladder)trans-126.1150.3-17900000111.6V218 V277 V323 A324V218-A223 HydrophobicContact CG1-CB 3.54Å; A223-V277 PolarHBondContact N-O 2.57Å; A223-V277 PolarHBondContact O-N 2.86Å; A223-V323 HydrophobicContact CB-CG1 3.84Å; A223-A324 CarbonylContact C-O 3.52Å; A223-A324 WeakPolarHBondContact CA-O 3.37Å
224T70.5Confident73.4Confident27 Ų2751.3 Ų51.317%0.16626%0.263CS..EExtended strand (participates in β ladder)trans-102.1112.3165.3-56.70000108.1V275 A324T224-V275 WeakPolarHBondContact CA-O 3.39Å; T224-A324 PolarHBondContact N-O 3.11Å; T224-A324 PolarHBondContact O-N 3.27Å
225I74.6Confident72.5Confident0 Ų052.7 Ų52.70%027%0.271CS..EExtended strand (participates in β ladder)trans-84.8118.5170.7-58.6174000106.7L216 V218 I241 S274 V275 V277 D301 F321L216-I225 HydrophobicContact CD1-CD1 4.49Å; L216-I225 HydrophobicContact CD1-CG2 3.97Å; V218-I225 HydrophobicContact CG2-CD1 3.96Å; V218-I225 HydrophobicContact CG2-CG1 4.04Å; I225-I241 HydrophobicContact CG2-CD1 4.24Å; I225-S274 CarbonylContact O-C 3.57Å; I225-S274 WeakPolarHBondContact O-CA 2.98Å; I225-V275 HydrophobicContact CB-CG1 4.08Å; I225-V275 PolarHBondContact N-O 3.34Å; I225-V275 PolarHBondContact O-N 2.82Å; I225-V277 HydrophobicContact CD1-CG2 3.65Å; I225-V277 HydrophobicContact CG1-CG2 3.97Å; I225-D301 HydrophobicContact CD1-CB 4.11Å; I225-F321 HydrophobicContact CG2-CD1 4.15Å
226S76.2Confident71.9Confident36 Ų3651 Ų5125%0.25226%0.258SS..EExtended strand (participates in β ladder)trans-112.2135.9172.8-54.20000110G273 F321 S322S226-G273 CarbonylContact C-O 3.52Å; S226-G273 VanDerWaalsContact CA-O 3.27Å; S226-G273 WeakPolarHBondContact CA-O 3.22Å; S226-F321 WeakPolarHBondContact O-CA 3.34Å; S226-S322 PolarHBondContact N-O 3.13Å; S226-S322 PolarHBondContact O-N 3.21Å
227W76.7Confident71.8Confident26 Ų2650.4 Ų50.410%0.09826%0.255CS..EExtended strand (participates in β ladder)trans-124.1152.1-178.861.692000111.4F239 I241 A259 Y272 G273 V275 F321W227-F239 HydrophobicContact CB-CZ 4.35Å; W227-F239 AromaticContact CD1-CZ 3.46Å; W227-F239 VanDerWaalsContact CD1-CZ 3.46Å; W227-F239 HydrophobicContact CD2-CE1 4.45Å; W227-F239 AromaticContact CD2-CZ 3.97Å; W227-F239 HydrophobicContact CD2-CZ 3.97Å; W227-F239 AromaticContact CE2-CE1 3.92Å; W227-F239 AromaticContact CE2-CZ 3.88Å; W227-F239 HydrophobicContact CG-CE1 4.5Å; W227-F239 HydrophobicContact CG-CE2 4.44Å; W227-F239 AromaticContact CG-CZ 3.7Å; W227-F239 HydrophobicContact CG-CZ 3.7Å; W227-F239 HydrophobicContact CZ2-CE1 4.35Å; W227-F239 AromaticContact NE1-CE1 3.67Å; W227-F239 AromaticContact NE1-CZ 3.57Å; W227-I241 HydrophobicContact CD2-CD1 3.82Å; W227-I241 HydrophobicContact CE3-CD1 3.23Å; W227-I241 HydrophobicContact CH2-CD1 4Å; W227-I241 HydrophobicContact CZ3-CD1 3.33Å; W227-A259 HydrophobicContact CH2-CB 4.15Å; W227-Y272 CarbonylContact O-C 3.42Å; W227-Y272 WeakPolarHBondContact O-CA 3.33Å; W227-Y272 WeakPolarHBondContact O-CB 2.9Å; W227-G273 VanDerWaalsContact CD2-O 3.32Å; W227-G273 VanDerWaalsContact CE3-O 3.24Å; W227-G273 PolarHBondContact N-O 2.82Å; W227-G273 PolarHBondContact O-N 2.79Å; W227-G273 VanDerWaalsContact O-N 3.16Å; W227-V275 HydrophobicContact CH2-CB 4.25Å; W227-V275 HydrophobicContact CZ3-CB 3.97Å; W227-V275 HydrophobicContact CZ3-CG1 3.91Å; W227-F321 HydrophobicContact CB-CD1 3.71Å; W227-F321 HydrophobicContact CB-CE1 3.21Å; W227-F321 HydrophobicContact CB-CE2 4.41Å; W227-F321 HydrophobicContact CB-CZ 3.55Å; W227-F321 HydrophobicContact CG-CE1 4.29Å
228Y78.8Confident72.1Confident2 Ų242.9 Ų42.91%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-135.7126.4166.8176.5-78.5000107.3R197 P198 L201 K230 P270 E271 Y319 N320R197-Y228 HydrophobicContact CB-CE2 4.24Å; R197-Y228 HydrophobicContact CG-CE2 4.42Å; P198-Y228 HydrophobicContact CG-CG 4.34Å; L201-Y228 HydrophobicContact CD1-CE1 4.32Å; L201-Y228 HydrophobicContact CD2-CD1 3.46Å; L201-Y228 VanDerWaalsContact CD2-CD1 3.46Å; L201-Y228 HydrophobicContact CD2-CE1 3.46Å; L201-Y228 VanDerWaalsContact CD2-CE1 3.46Å; Y228-K230 HydrophobicContact CE1-CB 4.08Å; Y228-P270 HydrophobicContact CD1-CB 4.44Å; Y228-P270 HydrophobicContact CD2-CB 3.93Å; Y228-P270 HydrophobicContact CD2-CG 4.37Å; Y228-P270 HydrophobicContact CE1-CB 3.87Å; Y228-P270 HydrophobicContact CE2-CB 3.3Å; Y228-P270 HydrophobicContact CE2-CG 3.45Å; Y228-P270 VanDerWaalsContact CE2-CG 3.45Å; Y228-P270 HydrophobicContact CG-CB 4.47Å; Y228-P270 WeakPolarHBondContact OH-CB 3.2Å; Y228-P270 WeakPolarHBondContact OH-CG 3.18Å; Y228-E271 CarbonylContact C-O 3.56Å; Y228-E271 VanDerWaalsContact CA-O 3.28Å; Y228-E271 WeakPolarHBondContact CA-O 3.48Å; Y228-Y319 CarbonylContact O-C 3.59Å; Y228-Y319 WeakPolarHBondContact O-CA 3.45Å; Y228-Y319 WeakPolarHBondContact O-CB 3.44Å; Y228-N320 PolarHBondContact N-O 3.13Å; Y228-N320 PolarHBondContact O-N 3.14Å
229V78.6Confident72.4Confident0 Ų042.5 Ų42.50%022%0.218CC..EExtended strand (participates in β ladder)trans-141.6118.9-178.1-175.80000109.8F239 L264 P270 E271 M303 L305 L317 E318V229-F239 HydrophobicContact CG2-CD2 4.03Å; V229-F239 HydrophobicContact CG2-CE2 3.67Å; V229-L264 HydrophobicContact CB-CD1 4.27Å; V229-L264 HydrophobicContact CG1-CD1 3.84Å; V229-P270 CarbonylContact O-C 3.58Å; V229-P270 WeakPolarHBondContact O-CA 3.09Å; V229-E271 HydrophobicContact CB-CB 4.36Å; V229-E271 PolarHBondContact N-O 3.1Å; V229-E271 PolarHBondContact O-N 3.41Å; V229-M303 HydrophobicContact CG2-SD 3.92Å; V229-L305 HydrophobicContact CG1-CD2 4.42Å; V229-L317 HydrophobicContact CG1-CD2 3.69Å; V229-E318 CarbonylContact C-O 3.58Å; V229-E318 WeakPolarHBondContact CA-O 3.4Å
230K75.9Confident72.9Confident58 Ų5833.9 Ų33.925%0.25218%0.177SC..EExtended strand (participates in β ladder)trans-120.1123.6178.8-171.8179.5176.2-177.20110.1Y228 P270 L317 E318Y228-K230 HydrophobicContact CE1-CB 4.08Å; K230-P270 HydrophobicContact CB-CB 4.01Å; K230-P270 HydrophobicContact CG-CB 4.35Å; K230-L317 CarbonylContact O-C 3.54Å; K230-L317 WeakPolarHBondContact O-CA 3.35Å; K230-E318 PolarHBondContact N-O 3.19Å; K230-E318 PolarHBondContact O-N 2.77Å
231S73.5Confident73.4Confident4 Ų432 Ų323%0.02817%0.166CC..EExtended strand (participates in β ladder)trans-79.6134.3169.6-172.70000110.4S233 T266 H316S231-S233 PolarHBondContact OG-N 3.48Å; S231-S233 PolarHBondContact OG-O 3.37Å; S231-S233 PolarHBondContact OG-OG 2.95Å; S231-T266 WeakPolarHBondContact CA-OG1 3.4Å; S231-T266 WeakPolarHBondContact CB-OG1 3.48Å; S231-T266 PolarHBondContact N-OG1 2.82Å; S231-H316 PolarHBondContact OG-O 2.89Å
232L77.5Confident73.9Confident96 Ų9628.9 Ų28.950%0.50315%0.148SC..SBendtrans-93.1-28.1170.4-57.3-179.3000111.3H316 E318L232-H316 HydrophobicContact CB-CB 4.17Å; L232-H316 PolarHBondContact N-O 2.95Å; L232-E318 HydrophobicContact CD1-CG 3.96Å; L232-E318 HydrophobicContact CD2-CG 4.25Å; L232-E318 HydrophobicContact CG-CG 4.23Å
233S67.3Low74.3Confident16 Ų1627.2 Ų27.211%0.11214%0.137CC..SBendtrans-84.6131172.853.40000109.6S231 N235 K315 H316S231-S233 PolarHBondContact OG-N 3.48Å; S231-S233 PolarHBondContact OG-O 3.37Å; S231-S233 PolarHBondContact OG-OG 2.95Å; S233-N235 PolarHBondContact O-N 3.25Å; S233-K315 VanDerWaalsContact OG-CA 3.28Å; S233-K315 WeakPolarHBondContact OG-CA 3.25Å; S233-H316 PolarHBondContact N-O 3.05Å; S233-H316 PolarHBondContact OG-N 2.79Å
234Q63.7Low74.4Confident161 Ų16127.2 Ų27.275%0.75214%0.137SC*.SBendtrans-64.415.3-174.5-60.9176.315.300115.8C267Q234-C267 HydrophobicContact CB-CB 4.11Å; Q234-C267 HydrophobicContact CG-CB 4.31Å
235N65.3Low74.2Confident51 Ų5128.3 Ų28.327%0.27314%0.144SC..SBendtrans-105.8159.8-175.3-57.5-53.7000111.4S233 L313 K315S233-N235 PolarHBondContact O-N 3.25Å; N235-L313 WeakPolarHBondContact ND2-CD1 3.38Å; N235-K315 HydrophobicContact CB-CG 4.44Å
236D67.2Low73.7Confident41 Ų4131.4 Ų31.422%0.21916%0.161CC..  trans-74.6146.6179.362.4-13.4000112.9R263 L264 L265 K315D236-R263 HydrophobicContact CB-CB 4.5Å; D236-R263 IonicContact OD1-CZ 3.31Å; D236-R263 IonicContact OD1-NH2 3.89Å; D236-R263 PolarHBondContact OD1-NH2 3.18Å; D236-R263 IonicContact OD2-CZ 2.83Å; D236-R263 IonicContact OD2-NE 2.7Å; D236-R263 PolarHBondContact OD2-NE 2.82Å; D236-R263 IonicContact OD2-NH2 2.88Å; D236-R263 PolarHBondContact OD2-NH2 2.96Å; D236-L264 CarbonylContact C-O 3.42Å; D236-L264 VanDerWaalsContact C-O 3.31Å; D236-L264 WeakPolarHBondContact CA-O 3.21Å; D236-L265 HydrophobicContact CB-CD2 3.59Å; D236-L265 HydrophobicContact CB-CG 3.86Å; D236-K315 WeakPolarHBondContact O-CD 3.18Å; D236-K315 WeakPolarHBondContact O-CE 3.43Å; D236-K315 PolarHBondContact O-NZ 3.41Å; D236-K315 IonicContact OD1-NZ 3.24Å; D236-K315 PolarHBondContact OD1-NZ 2.86Å
237V75.5Confident72.9Confident0 Ų030.6 Ų30.60%016%0.158CC..EExtended strand (participates in β ladder)trans-128.4143.1168.271.90000110.7V206 F239 R263 L264 K315 L317V206-V237 HydrophobicContact CG2-CG2 4.49Å; V237-F239 PolarHBondContact O-N 3.47Å; V237-R263 CarbonylContact O-C 3.56Å; V237-R263 WeakPolarHBondContact O-CA 3.37Å; V237-L264 HydrophobicContact CG1-CB 3.79Å; V237-L264 HydrophobicContact CG1-CD1 3.89Å; V237-L264 HydrophobicContact CG1-CG 4.31Å; V237-L264 PolarHBondContact N-O 2.66Å; V237-L264 WeakPolarHBondContact O-CB 3.3Å; V237-L264 PolarHBondContact O-N 2.8Å; V237-K315 HydrophobicContact CB-CD 3.81Å; V237-K315 HydrophobicContact CG2-CD 3.97Å; V237-L317 HydrophobicContact CB-CD2 4.44Å; V237-L317 HydrophobicContact CG1-CD1 4.38Å; V237-L317 HydrophobicContact CG1-CD2 3.47Å; V237-L317 VanDerWaalsContact CG1-CD2 3.47Å; V237-L317 HydrophobicContact CG2-CD1 4.46Å
238G76.3Confident72.1Confident0 Ų035.7 Ų35.70%019%0.188CC..EExtended strand (participates in β ladder)trans-68.1133.7170.800000110.7Y261 F262 L305 N306G238-Y261 WeakPolarHBondContact CA-OH 3.28Å; G238-F262 CarbonylContact C-O 3.59Å; G238-F262 WeakPolarHBondContact CA-O 3.44Å; G238-L305 CarbonylContact O-C 3.52Å; G238-L305 VanDerWaalsContact O-CA 3.31Å; G238-L305 WeakPolarHBondContact O-CA 3.22Å; G238-N306 PolarHBondContact N-O 3.19Å; G238-N306 PolarHBondContact O-N 3.39Å
239F77.2Confident71.3Confident0 Ų037.1 Ų37.10%020%0.197CC..EExtended strand (participates in β ladder)trans-129.6141.8175.5172.5-88.2000109.5W227 V229 V237 I241 Y261 F262 L264 M303 R304 L305 F321W227-F239 HydrophobicContact CB-CZ 4.35Å; W227-F239 AromaticContact CD1-CZ 3.46Å; W227-F239 VanDerWaalsContact CD1-CZ 3.46Å; W227-F239 HydrophobicContact CD2-CE1 4.45Å; W227-F239 AromaticContact CD2-CZ 3.97Å; W227-F239 HydrophobicContact CD2-CZ 3.97Å; W227-F239 AromaticContact CE2-CE1 3.92Å; W227-F239 AromaticContact CE2-CZ 3.88Å; W227-F239 HydrophobicContact CG-CE1 4.5Å; W227-F239 HydrophobicContact CG-CE2 4.44Å; W227-F239 AromaticContact CG-CZ 3.7Å; W227-F239 HydrophobicContact CG-CZ 3.7Å; W227-F239 HydrophobicContact CZ2-CE1 4.35Å; W227-F239 AromaticContact NE1-CE1 3.67Å; W227-F239 AromaticContact NE1-CZ 3.57Å; V229-F239 HydrophobicContact CG2-CD2 4.03Å; V229-F239 HydrophobicContact CG2-CE2 3.67Å; V237-F239 PolarHBondContact O-N 3.47Å; F239-I241 HydrophobicContact CE1-CG1 4.29Å; F239-I241 HydrophobicContact CZ-CD1 4.25Å; F239-I241 HydrophobicContact CZ-CG1 3.99Å; F239-Y261 CarbonylContact O-C 3.48Å; F239-Y261 VanDerWaalsContact O-CA 3.29Å; F239-Y261 WeakPolarHBondContact O-CA 3.48Å; F239-Y261 VanDerWaalsContact O-CD2 3.3Å; F239-Y261 WeakPolarHBondContact O-CD2 2.86Å; F239-F262 HydrophobicContact CB-CE2 4.17Å; F239-F262 AromaticContact CD1-CE1 3.82Å; F239-F262 HydrophobicContact CD1-CE1 3.82Å; F239-F262 AromaticContact CD1-CE2 3.68Å; F239-F262 HydrophobicContact CD1-CE2 3.68Å; F239-F262 AromaticContact CD1-CZ 3.28Å; F239-F262 HydrophobicContact CD1-CZ 3.28Å; F239-F262 HydrophobicContact CE1-CE1 4.22Å; F239-F262 HydrophobicContact CE1-CE2 4.49Å; F239-F262 AromaticContact CE1-CZ 3.74Å; F239-F262 HydrophobicContact CE1-CZ 3.74Å; F239-F262 HydrophobicContact CG-CE2 4.26Å; F239-F262 HydrophobicContact CG-CZ 4.27Å; F239-F262 PolarHBondContact N-O 2.93Å; F239-F262 PolarHBondContact O-N 2.84Å; F239-L264 HydrophobicContact CB-CD1 3.56Å; F239-L264 HydrophobicContact CB-CG 3.74Å; F239-L264 HydrophobicContact CD2-CD1 4.25Å; F239-L264 HydrophobicContact CG-CD1 4.04Å; F239-M303 HydrophobicContact CD2-CG 4.03Å; F239-M303 HydrophobicContact CD2-SD 3.9Å; F239-M303 HydrophobicContact CE2-CG 3.65Å; F239-M303 HydrophobicContact CE2-SD 3.54Å; F239-M303 VanDerWaalsContact CE2-SD 3.54Å; F239-R304 WeakPolarHBondContact CA-O 3.43Å; F239-L305 HydrophobicContact CD2-CD2 4.09Å; F239-F321 HydrophobicContact CE2-CZ 4.26Å
240G75.8Confident70.7Confident0 Ų043.7 Ų43.70%023%0.231CC..EExtended strand (participates in β ladder)trans-168.2160.5169.100000111.1R304G240-R304 PolarHBondContact N-O 2.61Å; G240-R304 PolarHBondContact O-N 3.28Å
241I78.1Confident70.6Confident0 Ų046.6 Ų46.60%024%0.244CC..EExtended strand (participates in β ladder)trans-111.9128.7175.1-57.7178.7000108.1L216 I225 W227 F239 I258 A259 F302L216-I241 HydrophobicContact CD1-CG2 4.43Å; I225-I241 HydrophobicContact CG2-CD1 4.24Å; W227-I241 HydrophobicContact CD2-CD1 3.82Å; W227-I241 HydrophobicContact CE3-CD1 3.23Å; W227-I241 HydrophobicContact CH2-CD1 4Å; W227-I241 HydrophobicContact CZ3-CD1 3.33Å; F239-I241 HydrophobicContact CE1-CG1 4.29Å; F239-I241 HydrophobicContact CZ-CD1 4.25Å; F239-I241 HydrophobicContact CZ-CG1 3.99Å; I241-I258 HydrophobicContact CG2-CB 4.22Å; I241-I258 HydrophobicContact CG2-CD1 4.08Å; I241-I258 PolarHBondContact O-N 3.47Å; I241-A259 HydrophobicContact CB-CB 3.78Å; I241-A259 HydrophobicContact CD1-CB 4.11Å; I241-A259 HydrophobicContact CG1-CB 4Å; I241-A259 PolarHBondContact O-N 2.62Å; I241-F302 WeakPolarHBondContact CA-O 3.49Å
242Y78.7Confident70.6Confident17 Ų1747.8 Ų47.87%0.06725%0.25CS..EExtended strand (participates in β ladder)trans-124.4154.1-174.6-68.7-93.8000110.5I252 M255 E256 M257 D301 F302 R304Y242-I252 HydrophobicContact CD1-CG2 4.06Å; Y242-I252 HydrophobicContact CE1-CG2 3.7Å; Y242-M255 HydrophobicContact CD1-CB 4.17Å; Y242-E256 CarbonylContact C-O 3.53Å; Y242-E256 VanDerWaalsContact CA-O 3.28Å; Y242-E256 WeakPolarHBondContact CA-O 3.3Å; Y242-M257 HydrophobicContact CD1-CB 4.21Å; Y242-M257 HydrophobicContact CE1-CB 4Å; Y242-M257 HydrophobicContact CE1-CG 4.27Å; Y242-D301 CarbonylContact O-C 3.54Å; Y242-D301 WeakPolarHBondContact O-CA 3.47Å; Y242-F302 PolarHBondContact N-O 2.96Å; Y242-F302 PolarHBondContact O-N 3.49Å; Y242-R304 HydrophobicContact CD2-CB 3.63Å; Y242-R304 HydrophobicContact CE2-CB 3.57Å; Y242-R304 HydrophobicContact CE2-CG 4.14Å; Y242-R304 PolarHBondContact OH-NH1 3Å
243Y78.2Confident70.4Confident36 Ų3650.5 Ų50.514%0.14126%0.26CS..EExtended strand (participates in β ladder)trans-121131.8-179.6175.1-117.2000109.2P245 M255 E256 I258 I299 D301Y243-P245 HydrophobicContact CD1-CB 4.37Å; Y243-P245 HydrophobicContact CD1-CG 3.73Å; Y243-P245 VanDerWaalsContact CE1-CA 3.47Å; Y243-P245 HydrophobicContact CE1-CB 3.71Å; Y243-P245 HydrophobicContact CE1-CG 3.57Å; Y243-P245 WeakPolarHBondContact O-CD 2.98Å; Y243-M255 CarbonylContact O-C 3.55Å; Y243-M255 WeakPolarHBondContact O-CA 3.13Å; Y243-M255 VanDerWaalsContact O-CB 3.3Å; Y243-M255 WeakPolarHBondContact O-CB 3.34Å; Y243-E256 HydrophobicContact CD1-CB 4.28Å; Y243-E256 HydrophobicContact CD1-CG 4.43Å; Y243-E256 PolarHBondContact N-O 3.37Å; Y243-E256 PolarHBondContact O-N 2.85Å; Y243-I258 HydrophobicContact CD2-CD1 4.47Å; Y243-I258 HydrophobicContact CG-CD1 4.39Å; Y243-I299 HydrophobicContact CD2-CG2 4.21Å; Y243-I299 HydrophobicContact CE2-CG2 3.19Å; Y243-I299 WeakPolarHBondContact OH-CG2 3.31Å; Y243-D301 WeakPolarHBondContact CD2-OD1 3.49Å
244S77.3Confident70.9Confident1 Ų153.8 Ų53.81%0.00728%0.277CS..EExtended strand (participates in β ladder)trans-104.5104.5169.3-170.80000110N246 G247 L300S244-N246 PolarHBondContact O-N 2.95Å; S244-G247 PolarHBondContact O-N 2.84Å; S244-L300 PolarHBondContact N-O 2.88Å
245P65.4Low71.7Confident49 Ų4947 Ų4732%0.31825%0.245SC..THydrogen-bonded Turntrans-60.1-28.6179.2-1927.2000113.7Y243 E256Y243-P245 HydrophobicContact CD1-CB 4.37Å; Y243-P245 HydrophobicContact CD1-CG 3.73Å; Y243-P245 VanDerWaalsContact CE1-CA 3.47Å; Y243-P245 HydrophobicContact CE1-CB 3.71Å; Y243-P245 HydrophobicContact CE1-CG 3.57Å; Y243-P245 WeakPolarHBondContact O-CD 2.98Å; P245-E256 HydrophobicContact CG-CG 4.16Å
246N63.9Low72.2Confident65 Ų6548.6 Ų48.635%0.34825%0.251SS..THydrogen-bonded Turntrans-101.7-2.1-172.5-67.2-36.9000113.5S244 N248 Y292S244-N246 PolarHBondContact O-N 2.95Å; N246-N248 WeakPolarHBondContact O-CB 3.36Å; N246-N248 PolarHBondContact O-N 2.71Å; N246-Y292 PolarHBondContact OD1-OH 2.73Å
247G60.9Low72.4Confident19 Ų1951.9 Ų51.920%0.19627%0.266CS..SBendtrans61.2-13-17700000116.2S244 N298S244-G247 PolarHBondContact O-N 2.84Å; G247-N298 WeakPolarHBondContact CA-O 3.4Å
248N58.4Low72Confident134 Ų13454.1 Ų54.172%0.71728%0.278SS*.  trans-11010.3-162.6-77.6-14.2000114.6N246N246-N248 WeakPolarHBondContact O-CB 3.36Å; N246-N248 PolarHBondContact O-N 2.71Å
249T62.2Low71.4Confident32 Ų3254.3 Ų54.320%0.19628%0.279CS..  trans-128.2122-177.4-44.40000112K251 D254 M255T249-K251 HydrophobicContact CG2-CB 3.6Å; T249-K251 HydrophobicContact CG2-CD 4.29Å; T249-K251 HydrophobicContact CG2-CG 3.82Å; T249-K251 PolarHBondContact O-N 3.03Å; T249-D254 HydrophobicContact CG2-CB 3.87Å; T249-D254 WeakPolarHBondContact CG2-OD2 3.05Å; T249-M255 WeakPolarHBondContact O-CE 3.41Å
250D66.4Low70.3Confident137 Ų13758.8 Ų58.873%0.73331%0.308SS*.  trans-79.7-1.5170.1-63.8-34.6000112.9L213L213-D250 WeakPolarHBondContact CD1-O 3.44Å
251K73.2Confident69.5Low119 Ų11962 Ų6252%0.51732%0.321SS..  trans-93122.2-176.4-51.8-177.9172.4-1730111T249 E253 D254T249-K251 HydrophobicContact CG2-CB 3.6Å; T249-K251 HydrophobicContact CG2-CD 4.29Å; T249-K251 HydrophobicContact CG2-CG 3.82Å; T249-K251 PolarHBondContact O-N 3.03Å; K251-E253 HydrophobicContact CB-CG 3.93Å; K251-E253 HydrophobicContact CD-CG 4.37Å; K251-E253 VanDerWaalsContact CD-OE1 3.3Å; K251-E253 WeakPolarHBondContact CD-OE1 3.33Å; K251-E253 IonicContact NZ-OE1 3.38Å; K251-E253 PolarHBondContact NZ-OE1 3.12Å; K251-E253 PolarHBondContact O-N 3.15Å; K251-D254 PolarHBondContact O-N 3.4Å; K251-D254 VanDerWaalsContact O-N 3.12Å
252I73.6Confident68.8Low30 Ų3064.7 Ų64.715%0.15433%0.332CS..G310 helixtrans-60.8-27178.6-67.8146.8000113E211 L213 Y242 D254 M255 R304E211-I252 VanDerWaalsContact OE1-CD1 3.29Å; E211-I252 WeakPolarHBondContact OE1-CD1 3.35Å; E211-I252 VanDerWaalsContact OE2-CD1 3.28Å; E211-I252 WeakPolarHBondContact OE2-CD1 2.99Å; L213-I252 HydrophobicContact CD1-CG1 4.26Å; L213-I252 HydrophobicContact CD2-CD1 4.12Å; L213-I252 HydrophobicContact CD2-CG1 4.03Å; Y242-I252 HydrophobicContact CD1-CG2 4.06Å; Y242-I252 HydrophobicContact CE1-CG2 3.7Å; I252-D254 PolarHBondContact O-N 2.69Å; I252-M255 HydrophobicContact CG1-SD 4.37Å; I252-M255 PolarHBondContact O-N 3.49Å; I252-M255 VanDerWaalsContact O-N 3.1Å; I252-R304 HydrophobicContact CD1-CG 4.28Å; I252-R304 VanDerWaalsContact CD1-NE 3.3Å
253E74.2Confident68Low152 Ų15268.6 Ų68.671%0.7135%0.347SS*.G310 helixtrans-62.6-26177.559.3-173.4173.800113.2K251K251-E253 HydrophobicContact CB-CG 3.93Å; K251-E253 HydrophobicContact CD-CG 4.37Å; K251-E253 VanDerWaalsContact CD-OE1 3.3Å; K251-E253 WeakPolarHBondContact CD-OE1 3.33Å; K251-E253 IonicContact NZ-OE1 3.38Å; K251-E253 PolarHBondContact NZ-OE1 3.12Å; K251-E253 PolarHBondContact O-N 3.15Å
254D77.1Confident67.1Low86 Ų8666.9 Ų66.946%0.4634%0.34SS..G310 helixtrans-95.91.7178.4-57.9-45.2000112.3T249 K251 I252T249-D254 HydrophobicContact CG2-CB 3.87Å; T249-D254 WeakPolarHBondContact CG2-OD2 3.05Å; K251-D254 PolarHBondContact O-N 3.4Å; K251-D254 VanDerWaalsContact O-N 3.12Å; I252-D254 PolarHBondContact O-N 2.69Å
255M80.2Confident66.1Low17 Ų1772.5 Ų72.58%0.08437%0.37CS..SBendtrans-100.4146.9-178-64-179.3179.200112L213 Y242 Y243 T249 I252 F302L213-M255 HydrophobicContact CD1-CE 4.05Å; Y242-M255 HydrophobicContact CD1-CB 4.17Å; Y243-M255 CarbonylContact O-C 3.55Å; Y243-M255 WeakPolarHBondContact O-CA 3.13Å; Y243-M255 VanDerWaalsContact O-CB 3.3Å; Y243-M255 WeakPolarHBondContact O-CB 3.34Å; T249-M255 WeakPolarHBondContact O-CE 3.41Å; I252-M255 HydrophobicContact CG1-SD 4.37Å; I252-M255 PolarHBondContact O-N 3.49Å; I252-M255 VanDerWaalsContact O-N 3.1Å; M255-F302 HydrophobicContact CE-CD2 3.67Å; M255-F302 HydrophobicContact CE-CE2 3.72Å; M255-F302 HydrophobicContact CE-CG 4.23Å; M255-F302 HydrophobicContact CE-CZ 4.31Å; M255-F302 HydrophobicContact SD-CD2 4Å; M255-F302 HydrophobicContact SD-CG 4.5Å
256E76.9Confident65.3Low85 Ų8570.2 Ų70.240%0.39736%0.355SS..EExtended strand (participates in β ladder)trans-89.1134.6173.3-55.3-168.515400110.1Y242 Y243 P245 I258 K282Y242-E256 CarbonylContact C-O 3.53Å; Y242-E256 VanDerWaalsContact CA-O 3.28Å; Y242-E256 WeakPolarHBondContact CA-O 3.3Å; Y243-E256 HydrophobicContact CD1-CB 4.28Å; Y243-E256 HydrophobicContact CD1-CG 4.43Å; Y243-E256 PolarHBondContact N-O 3.37Å; Y243-E256 PolarHBondContact O-N 2.85Å; P245-E256 HydrophobicContact CG-CG 4.16Å; E256-I258 PolarHBondContact O-N 2.89Å; E256-K282 IonicContact OE1-NZ 3.42Å; E256-K282 PolarHBondContact OE1-NZ 2.63Å; E256-K282 IonicContact OE2-NZ 3.6Å; E256-K282 PolarHBondContact OE2-NZ 3.24Å
257M70.3Confident64.6Low110 Ų11069.2 Ų69.254%0.54235%0.353SS..EExtended strand (participates in β ladder)trans-82.9115.5178.3-178.9176.956.400110.2Y242 A259 Y261Y242-M257 HydrophobicContact CD1-CB 4.21Å; Y242-M257 HydrophobicContact CE1-CB 4Å; Y242-M257 HydrophobicContact CE1-CG 4.27Å; M257-A259 WeakPolarHBondContact CG-O 3.34Å; M257-Y261 PolarHBondContact SD-N 2.74Å; M257-Y261 VanDerWaalsContact SD-N 3.41Å
258I68.9Low64Low48 Ų4876.1 Ų76.125%0.24638%0.377CS..EExtended strand (participates in β ladder)trans-88-41.2-179.1-53.2171.5000111.3I241 Y243 E256 V275 V277 D301I241-I258 HydrophobicContact CG2-CB 4.22Å; I241-I258 HydrophobicContact CG2-CD1 4.08Å; I241-I258 PolarHBondContact O-N 3.47Å; Y243-I258 HydrophobicContact CD2-CD1 4.47Å; Y243-I258 HydrophobicContact CG-CD1 4.39Å; E256-I258 PolarHBondContact O-N 2.89Å; I258-V275 HydrophobicContact CG2-CG1 3.9Å; I258-V275 HydrophobicContact CG2-CG2 3.93Å; I258-V277 HydrophobicContact CG2-CG2 4.36Å; I258-D301 HydrophobicContact CD1-CB 4.45Å; I258-D301 WeakPolarHBondContact CD1-OD1 3.07Å
259A62.1Low63.7Low3 Ų370.1 Ų70.13%0.02535%0.346CS..EExtended strand (participates in β ladder)trans-116.3141.3175.400000109.6W227 I241 M257 Y261W227-A259 HydrophobicContact CH2-CB 4.15Å; I241-A259 HydrophobicContact CB-CB 3.78Å; I241-A259 HydrophobicContact CD1-CB 4.11Å; I241-A259 HydrophobicContact CG1-CB 4Å; I241-A259 PolarHBondContact O-N 2.62Å; M257-A259 WeakPolarHBondContact CG-O 3.34Å; A259-Y261 PolarHBondContact O-N 2.92Å
260P53.8Low63.7Low94 Ų9469.3 Ų69.361%0.6134%0.341SS*.EExtended strand (participates in β ladder)trans-51.9135.4-179.6-25.233000111.7F262P260-F262 WeakPolarHBondContact O-CD1 3.47Å; P260-F262 VanDerWaalsContact O-CE1 3.27Å; P260-F262 WeakPolarHBondContact O-CE1 3.28Å
261Y60.5Low63.6Low69 Ų6963.6 Ų63.627%0.27131%0.31SS..EExtended strand (participates in β ladder)trans-76127.5171.5176-91.9000110.3G238 F239 M257 A259 N306G238-Y261 WeakPolarHBondContact CA-OH 3.28Å; F239-Y261 CarbonylContact O-C 3.48Å; F239-Y261 VanDerWaalsContact O-CA 3.29Å; F239-Y261 WeakPolarHBondContact O-CA 3.48Å; F239-Y261 VanDerWaalsContact O-CD2 3.3Å; F239-Y261 WeakPolarHBondContact O-CD2 2.86Å; M257-Y261 PolarHBondContact SD-N 2.74Å; M257-Y261 VanDerWaalsContact SD-N 3.41Å; A259-Y261 PolarHBondContact O-N 2.92Å; Y261-N306 HydrophobicContact CE2-CB 4.09Å; Y261-N306 PolarHBondContact OH-ND2 2.85Å
262F63.7Low63.4Low55 Ų5559.8 Ų59.824%0.24129%0.292CS..EExtended strand (participates in β ladder)trans-142.4164176.650.7-95.5000111.8G238 F239 P260 L264 E271G238-F262 CarbonylContact C-O 3.59Å; G238-F262 WeakPolarHBondContact CA-O 3.44Å; F239-F262 HydrophobicContact CB-CE2 4.17Å; F239-F262 AromaticContact CD1-CE1 3.82Å; F239-F262 HydrophobicContact CD1-CE1 3.82Å; F239-F262 AromaticContact CD1-CE2 3.68Å; F239-F262 HydrophobicContact CD1-CE2 3.68Å; F239-F262 AromaticContact CD1-CZ 3.28Å; F239-F262 HydrophobicContact CD1-CZ 3.28Å; F239-F262 HydrophobicContact CE1-CE1 4.22Å; F239-F262 HydrophobicContact CE1-CE2 4.49Å; F239-F262 AromaticContact CE1-CZ 3.74Å; F239-F262 HydrophobicContact CE1-CZ 3.74Å; F239-F262 HydrophobicContact CG-CE2 4.26Å; F239-F262 HydrophobicContact CG-CZ 4.27Å; F239-F262 PolarHBondContact N-O 2.93Å; F239-F262 PolarHBondContact O-N 2.84Å; P260-F262 WeakPolarHBondContact O-CD1 3.47Å; P260-F262 VanDerWaalsContact O-CE1 3.27Å; P260-F262 WeakPolarHBondContact O-CE1 3.28Å; F262-L264 HydrophobicContact CD2-CD2 3.83Å; F262-L264 HydrophobicContact CD2-CG 4.2Å; F262-L264 HydrophobicContact CE2-CD2 3.37Å; F262-L264 HydrophobicContact CE2-CG 3.96Å; F262-E271 HydrophobicContact CE2-CG 4.01Å; F262-E271 WeakPolarHBondContact CE2-OE1 3.3Å; F262-E271 HydrophobicContact CZ-CG 4.06Å; F262-E271 WeakPolarHBondContact CZ-OE1 2.77Å
263R60.8Low62.9Low99 Ų9959.4 Ų59.437%0.37430%0.296SS..EExtended strand (participates in β ladder)trans-98116.1175.2-66.7-171.870.6143.8-3110.6D236 V237 L265D236-R263 HydrophobicContact CB-CB 4.5Å; D236-R263 IonicContact OD1-CZ 3.31Å; D236-R263 IonicContact OD1-NH2 3.89Å; D236-R263 PolarHBondContact OD1-NH2 3.18Å; D236-R263 IonicContact OD2-CZ 2.83Å; D236-R263 IonicContact OD2-NE 2.7Å; D236-R263 PolarHBondContact OD2-NE 2.82Å; D236-R263 IonicContact OD2-NH2 2.88Å; D236-R263 PolarHBondContact OD2-NH2 2.96Å; V237-R263 CarbonylContact O-C 3.56Å; V237-R263 WeakPolarHBondContact O-CA 3.37Å; R263-L265 PolarHBondContact O-N 2.75Å
264L59.8Low62.5Low0 Ų055.9 Ų55.90%029%0.288CS..EExtended strand (participates in β ladder)trans-76.598.6178.4-73.4-177.8000112.6V229 D236 V237 F239 F262 T266 E271V229-L264 HydrophobicContact CB-CD1 4.27Å; V229-L264 HydrophobicContact CG1-CD1 3.84Å; D236-L264 CarbonylContact C-O 3.42Å; D236-L264 VanDerWaalsContact C-O 3.31Å; D236-L264 WeakPolarHBondContact CA-O 3.21Å; V237-L264 HydrophobicContact CG1-CB 3.79Å; V237-L264 HydrophobicContact CG1-CD1 3.89Å; V237-L264 HydrophobicContact CG1-CG 4.31Å; V237-L264 PolarHBondContact N-O 2.66Å; V237-L264 WeakPolarHBondContact O-CB 3.3Å; V237-L264 PolarHBondContact O-N 2.8Å; F239-L264 HydrophobicContact CB-CD1 3.56Å; F239-L264 HydrophobicContact CB-CG 3.74Å; F239-L264 HydrophobicContact CD2-CD1 4.25Å; F239-L264 HydrophobicContact CG-CD1 4.04Å; F262-L264 HydrophobicContact CD2-CD2 3.83Å; F262-L264 HydrophobicContact CD2-CG 4.2Å; F262-L264 HydrophobicContact CE2-CD2 3.37Å; F262-L264 HydrophobicContact CE2-CG 3.96Å; L264-T266 HydrophobicContact CB-CG2 3.77Å; L264-T266 HydrophobicContact CD1-CG2 4.27Å; L264-T266 HydrophobicContact CD2-CG2 3.58Å; L264-T266 HydrophobicContact CG-CG2 4.11Å; L264-T266 PolarHBondContact O-N 2.73Å; L264-T266 VanDerWaalsContact O-N 3.12Å; L264-E271 HydrophobicContact CD1-CB 4.25Å; L264-E271 HydrophobicContact CD2-CB 3.52Å; L264-E271 HydrophobicContact CD2-CG 3.68Å
265L55.6Low61.9Low120 Ų12053.2 Ų53.263%0.62828%0.275SS*.  trans-80.262.3161.1-73.1162.3000110.4D236 R263 C267D236-L265 HydrophobicContact CB-CD2 3.59Å; D236-L265 HydrophobicContact CB-CG 3.86Å; R263-L265 PolarHBondContact O-N 2.75Å; L265-C267 VanDerWaalsContact C-N 3.26Å; L265-C267 PolarHBondContact O-N 3.07Å; L265-C267 VanDerWaalsContact O-N 3.15Å
266T48.2Very low61.3Low1 Ų159.6 Ų59.61%0.00630%0.304CS..  trans-85.825.1-167.541.50000115.2S231 L264 F268 V269 E271S231-T266 WeakPolarHBondContact CA-OG1 3.4Å; S231-T266 WeakPolarHBondContact CB-OG1 3.48Å; S231-T266 PolarHBondContact N-OG1 2.82Å; L264-T266 HydrophobicContact CB-CG2 3.77Å; L264-T266 HydrophobicContact CD1-CG2 4.27Å; L264-T266 HydrophobicContact CD2-CG2 3.58Å; L264-T266 HydrophobicContact CG-CG2 4.11Å; L264-T266 PolarHBondContact O-N 2.73Å; L264-T266 VanDerWaalsContact O-N 3.12Å; T266-F268 PolarHBondContact O-N 3.02Å; T266-V269 VanDerWaalsContact CB-O 3.25Å; T266-V269 WeakPolarHBondContact CB-O 3.49Å; T266-V269 WeakPolarHBondContact CG2-O 3.41Å; T266-V269 PolarHBondContact O-N 3.47Å; T266-E271 HydrophobicContact CG2-CB 4.22Å
267C49.8Very low60.8Low44 Ų4456.1 Ų56.130%0.29729%0.289SS..SBendtrans-66.4-7.5-174.5600000115.3Q234 L265Q234-C267 HydrophobicContact CB-CB 4.11Å; Q234-C267 HydrophobicContact CG-CB 4.31Å; L265-C267 VanDerWaalsContact C-N 3.26Å; L265-C267 PolarHBondContact O-N 3.07Å; L265-C267 VanDerWaalsContact O-N 3.15Å
268F48.4Very low60.6Low164 Ų16456 Ų5672%0.71929%0.29SS*.SBendtrans-130.9-15.3176.1-61.5-70000115T266T266-F268 PolarHBondContact O-N 3.02Å
269V53.1Low60.4Low8 Ų856 Ų565%0.04829%0.288CS..SBendtrans-144.2133.5-173.4-172.60000110W86 K87 P88 T266W86-V269 HydrophobicContact CG-CG2 4.22Å; K87-V269 HydrophobicContact CB-CB 4.13Å; K87-V269 HydrophobicContact CB-CG1 4.47Å; K87-V269 HydrophobicContact CB-CG2 4.08Å; P88-V269 HydrophobicContact CG-CG1 3.44Å; P88-V269 VanDerWaalsContact CG-CG1 3.44Å; T266-V269 VanDerWaalsContact CB-O 3.25Å; T266-V269 WeakPolarHBondContact CB-O 3.49Å; T266-V269 WeakPolarHBondContact CG2-O 3.41Å; T266-V269 PolarHBondContact O-N 3.47Å
270P62.2Low59.5Low14 Ų1463.9 Ų63.99%0.09132%0.321CS..  trans-59.8140.8163.828.2-36.6000111.6Y228 V229 K230Y228-P270 HydrophobicContact CD1-CB 4.44Å; Y228-P270 HydrophobicContact CD2-CB 3.93Å; Y228-P270 HydrophobicContact CD2-CG 4.37Å; Y228-P270 HydrophobicContact CE1-CB 3.87Å; Y228-P270 HydrophobicContact CE2-CB 3.3Å; Y228-P270 HydrophobicContact CE2-CG 3.45Å; Y228-P270 VanDerWaalsContact CE2-CG 3.45Å; Y228-P270 HydrophobicContact CG-CB 4.47Å; Y228-P270 WeakPolarHBondContact OH-CB 3.2Å; Y228-P270 WeakPolarHBondContact OH-CG 3.18Å; V229-P270 CarbonylContact O-C 3.58Å; V229-P270 WeakPolarHBondContact O-CA 3.09Å; K230-P270 HydrophobicContact CB-CB 4.01Å; K230-P270 HydrophobicContact CG-CB 4.35Å
271E64.1Low58.7Low17 Ų1762.5 Ų62.58%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-76.2132158.6-176.369-176.800109.3K87 Y228 V229 F262 L264 T266K87-E271 IonicContact NZ-OE1 3.44Å; K87-E271 IonicContact NZ-OE2 2.75Å; K87-E271 PolarHBondContact NZ-OE2 3.21Å; Y228-E271 CarbonylContact C-O 3.56Å; Y228-E271 VanDerWaalsContact CA-O 3.28Å; Y228-E271 WeakPolarHBondContact CA-O 3.48Å; V229-E271 HydrophobicContact CB-CB 4.36Å; V229-E271 PolarHBondContact N-O 3.1Å; V229-E271 PolarHBondContact O-N 3.41Å; F262-E271 HydrophobicContact CE2-CG 4.01Å; F262-E271 WeakPolarHBondContact CE2-OE1 3.3Å; F262-E271 HydrophobicContact CZ-CG 4.06Å; F262-E271 WeakPolarHBondContact CZ-OE1 2.77Å; L264-E271 HydrophobicContact CD1-CB 4.25Å; L264-E271 HydrophobicContact CD2-CB 3.52Å; L264-E271 HydrophobicContact CD2-CG 3.68Å; T266-E271 HydrophobicContact CG2-CB 4.22Å
272Y68.3Low57.5Low39 Ų3967.2 Ų67.215%0.15335%0.346CS..EExtended strand (participates in β ladder)trans-146.1150.2164.864.3-85.8000109.9R51 F192 V196 W227R51-Y272 PolarHBondContact NH2-OH 2.94Å; F192-Y272 WeakPolarHBondContact CE2-OH 3.32Å; F192-Y272 HydrophobicContact CZ-CE1 4.13Å; F192-Y272 VanDerWaalsContact CZ-OH 3.32Å; F192-Y272 WeakPolarHBondContact CZ-OH 3.03Å; V196-Y272 HydrophobicContact CB-CD2 4.34Å; V196-Y272 HydrophobicContact CB-CE2 4.28Å; V196-Y272 HydrophobicContact CG1-CD2 3.64Å; V196-Y272 HydrophobicContact CG1-CE2 4.01Å; V196-Y272 HydrophobicContact CG1-CG 3.94Å; V196-Y272 HydrophobicContact CG2-CD2 4.39Å; V196-Y272 HydrophobicContact CG2-CE2 3.9Å; W227-Y272 CarbonylContact O-C 3.42Å; W227-Y272 WeakPolarHBondContact O-CA 3.33Å; W227-Y272 WeakPolarHBondContact O-CB 2.9Å
273G63.6Low55.6Low22 Ų2270 Ų7023%0.22737%0.37CS..EExtended strand (participates in β ladder)trans-165.6173.3-178.100000109.9S226 W227S226-G273 CarbonylContact C-O 3.52Å; S226-G273 VanDerWaalsContact CA-O 3.27Å; S226-G273 WeakPolarHBondContact CA-O 3.22Å; W227-G273 VanDerWaalsContact CD2-O 3.32Å; W227-G273 VanDerWaalsContact CE3-O 3.24Å; W227-G273 PolarHBondContact N-O 2.82Å; W227-G273 PolarHBondContact O-N 2.79Å; W227-G273 VanDerWaalsContact O-N 3.16Å
274S65.8Low53.9Low79 Ų7974.6 Ų74.655%0.55240%0.396SS*.EExtended strand (participates in β ladder)trans-137.5139.1174.361.20000109.5I225I225-S274 CarbonylContact O-C 3.57Å; I225-S274 WeakPolarHBondContact O-CA 2.98Å
275V64.7Low52.4Low29 Ų2980.4 Ų80.418%0.17643%0.431CS..EExtended strand (participates in β ladder)trans-121.2130.3169.769.30000108.7T224 I225 W227 I258 V277T224-V275 WeakPolarHBondContact CA-O 3.39Å; I225-V275 HydrophobicContact CB-CG1 4.08Å; I225-V275 PolarHBondContact N-O 3.34Å; I225-V275 PolarHBondContact O-N 2.82Å; W227-V275 HydrophobicContact CH2-CB 4.25Å; W227-V275 HydrophobicContact CZ3-CB 3.97Å; W227-V275 HydrophobicContact CZ3-CG1 3.91Å; I258-V275 HydrophobicContact CG2-CG1 3.9Å; I258-V275 HydrophobicContact CG2-CG2 3.93Å; V275-V277 HydrophobicContact CG1-CG2 4.36Å; V275-V277 PolarHBondContact O-N 2.75Å
276Q66.5Low51.4Low151 Ų15180.4 Ų80.471%0.70644%0.438SS*.EExtended strand (participates in β ladder)trans-80.7116.5169.7-71-174.5-16.700108.1
277V67.3Low50.4Low12 Ų1289.9 Ų89.97%0.07348%0.48CS..EExtended strand (participates in β ladder)trans-87.8116.4172.2179.80000107L222 A223 I225 I258 V275 R279L222-V277 WeakPolarHBondContact CA-O 2.97Å; A223-V277 PolarHBondContact N-O 2.57Å; A223-V277 PolarHBondContact O-N 2.86Å; I225-V277 HydrophobicContact CD1-CG2 3.65Å; I225-V277 HydrophobicContact CG1-CG2 3.97Å; I258-V277 HydrophobicContact CG2-CG2 4.36Å; V275-V277 HydrophobicContact CG1-CG2 4.36Å; V275-V277 PolarHBondContact O-N 2.75Å; V277-R279 HydrophobicContact CG1-CG 3.78Å
278N65.4Low49.4Very low107 Ų10797.3 Ų97.357%0.57251%0.507SS*.EExtended strand (participates in β ladder)trans-120.9105.2171-178.42.3000108.8L222 K280L222-N278 HydrophobicContact CD2-CB 4.18Å; N278-K280 PolarHBondContact OD1-N 2.76Å; N278-K280 VanDerWaalsContact OD1-N 3.08Å
279R65.5Low48.2Very low50 Ų50100 Ų10019%0.18951%0.513CS..  trans-91.32.8-179.1-58.9178.8-180154.80.1113.4D221 V277 G281 D301D221-R279 HydrophobicContact CB-CB 3.89Å; D221-R279 PolarHBondContact O-N 2.8Å; D221-R279 WeakPolarHBondContact OD1-CD 3.22Å; V277-R279 HydrophobicContact CG1-CG 3.78Å; R279-G281 PolarHBondContact O-N 2.7Å; R279-D301 IonicContact CZ-OD2 2.9Å; R279-D301 IonicContact NH2-OD1 2.75Å; R279-D301 PolarHBondContact NH2-OD1 2.87Å; R279-D301 IonicContact NH2-OD2 3.25Å; R279-D301 PolarHBondContact NH2-OD2 2.67Å
280K43.4Very low47Very low168 Ų168106.7 Ų106.773%0.7355%0.545SS*.SBendtrans-79.7113.6172.7-90.3-175.2173.8177.70111.3N278N278-K280 PolarHBondContact OD1-N 2.76Å; N278-K280 VanDerWaalsContact OD1-N 3.08Å
281G37Very low45.3Very low64 Ų64113.6 Ų113.666%0.6657%0.574SS**  trans112.237.1157.100000118.4R279 C283R279-G281 PolarHBondContact O-N 2.7Å; G281-C283 VanDerWaalsContact C-N 3.33Å; G281-C283 PolarHBondContact O-N 3.35Å
282K34.5Very low43.8Very low169 Ų169119.2 Ų119.274%0.73560%0.595SS**  trans-64.7100.6158-110.4176.8179.11670108.3E256E256-K282 IonicContact OE1-NZ 3.42Å; E256-K282 PolarHBondContact OE1-NZ 2.63Å; E256-K282 IonicContact OE2-NZ 3.6Å; E256-K282 PolarHBondContact OE2-NZ 3.24Å
283C23.6Very low41.9Very low113 Ų113125.3 Ų125.376%0.76463%0.63SS**  trans-57.9141.9-174.8-81.30000112.7G281 V285G281-C283 VanDerWaalsContact C-N 3.33Å; G281-C283 PolarHBondContact O-N 3.35Å; C283-V285 PolarHBondContact O-N 3.43Å
284E24.5Very low40.4Very low196 Ų196126.3 Ų126.392%0.91663%0.633SS**  trans-56.2104.7166.8-64-179.2149.800110.1
285V28.1Very low39.1Very low121 Ų121130.1 Ų130.173%0.73365%0.647SS**  trans-94.1128.1154.4-159.70000105.3C283 F287C283-V285 PolarHBondContact O-N 3.43Å; V285-F287 PolarHBondContact O-N 3.27Å
286P35.6Very low37.8Very low120 Ų120137.6 Ų137.678%0.77968%0.681SS**SBendtrans-79.662.8-168.233.3-35.6000110.9
287F28.1Very low36.7Very low200 Ų200135.1 Ų135.188%0.87767%0.668SS**SBendtrans-150.9117.9161.7-101.9-83.7000108.7V285V285-F287 PolarHBondContact O-N 3.27Å
288K26.8Very low35.7Very low200 Ų200140.7 Ų140.787%0.8770%0.697SS**  trans70.498.6-176.8-83.8179.7170.3178.30116.5M290K288-M290 PolarHBondContact O-N 2.74Å
289R23.7Very low35.1Very low222 Ų222138.2 Ų138.284%0.83868%0.683SS**  trans-49.3118.5155.3-68.8175.2172-172.5-1.1110.3F291R289-F291 HydrophobicContact CB-CD2 4.13Å; R289-F291 HydrophobicContact CB-CE2 4.1Å; R289-F291 HydrophobicContact CG-CD2 4.45Å; R289-F291 HydrophobicContact CG-CE2 3.92Å
290M28.4Very low35.1Very low147 Ų147137.9 Ų137.972%0.72469%0.685SS**  trans-120.2100.5150.3-93.7178.5-171.900107.2K288 Y292K288-M290 PolarHBondContact O-N 2.74Å; M290-Y292 HydrophobicContact CB-CD2 4.35Å; M290-Y292 HydrophobicContact CB-CE2 3.94Å; M290-Y292 HydrophobicContact CG-CE2 4.22Å; M290-Y292 HydrophobicContact SD-CE2 3.9Å
291F25.6Very low36.7Very low159 Ų159129.9 Ų129.970%0.69765%0.65SS**  trans-86.7111162.9-71.3-90000106.6R289 L293R289-F291 HydrophobicContact CB-CD2 4.13Å; R289-F291 HydrophobicContact CB-CE2 4.1Å; R289-F291 HydrophobicContact CG-CD2 4.45Å; R289-F291 HydrophobicContact CG-CE2 3.92Å; F291-L293 PolarHBondContact O-N 3.49Å
292Y34.2Very low38.8Very low135 Ų135127.5 Ų127.553%0.52962%0.622SS.*  trans-92.682.5157.8-64.6-88.8000106.9N246 M290 S294N246-Y292 PolarHBondContact OD1-OH 2.73Å; M290-Y292 HydrophobicContact CB-CD2 4.35Å; M290-Y292 HydrophobicContact CB-CE2 3.94Å; M290-Y292 HydrophobicContact CG-CE2 4.22Å; M290-Y292 HydrophobicContact SD-CE2 3.9Å; Y292-S294 VanDerWaalsContact C-N 3.32Å; Y292-S294 PolarHBondContact O-N 2.55Å
293L27.6Very low41Very low167 Ų167119.5 Ų119.587%0.87459%0.587SS**  trans-84.889.1154.7-82.8166.4000105.2F291F291-L293 PolarHBondContact O-N 3.49Å
294S32.8Very low43.9Very low43 Ų43115.7 Ų115.730%0.30156%0.556SS.*  trans-140.1101178.865.30000110.6Y292 E296 F297Y292-S294 VanDerWaalsContact C-N 3.32Å; Y292-S294 PolarHBondContact O-N 2.55Å; S294-E296 PolarHBondContact O-N 2.87Å; S294-F297 WeakPolarHBondContact OG-CD2 3.32Å; S294-F297 WeakPolarHBondContact OG-CE2 3.48Å
295N37.5Very low46.7Very low159 Ų159106.3 Ų106.385%0.8551%0.513SS*.THydrogen-bonded Turntrans-48.2128.8160.1-66.6-19.9000108.4
296E38.5Very low49.4Very low187 Ų187100.7 Ų100.787%0.87448%0.478SS*.THydrogen-bonded Turntrans70.630.4168.5-54.2-180178.200118.4S294 N298S294-E296 PolarHBondContact O-N 2.87Å; E296-N298 PolarHBondContact O-N 2.84Å
297F41.7Very low51.8Low99 Ų9995 Ų9543%0.43444%0.442SS..  trans-80109.7160.6-80.7-105.9000108.7S294 I299S294-F297 WeakPolarHBondContact OG-CD2 3.32Å; S294-F297 WeakPolarHBondContact OG-CE2 3.48Å; F297-I299 VanDerWaalsContact C-N 3.32Å; F297-I299 PolarHBondContact O-N 2.87Å
298N47.7Very low54.4Low128 Ų12890.3 Ų90.368%0.68442%0.42SS*.  trans-59.697.5168.5-74.9-25.2000108.3G247 E296 L300G247-N298 WeakPolarHBondContact CA-O 3.4Å; E296-N298 PolarHBondContact O-N 2.84Å; N298-L300 HydrophobicContact CB-CG 4.37Å; N298-L300 PolarHBondContact O-N 2.8Å
299I52.7Low56.8Low56 Ų5687.8 Ų87.829%0.28741%0.407SS..  trans-69.3119.5169.3-60.3175.5000106.7Y243 F297Y243-I299 HydrophobicContact CD2-CG2 4.21Å; Y243-I299 HydrophobicContact CE2-CG2 3.19Å; Y243-I299 WeakPolarHBondContact OH-CG2 3.31Å; F297-I299 VanDerWaalsContact C-N 3.32Å; F297-I299 PolarHBondContact O-N 2.87Å
300L65Low59.3Low43 Ų4378.2 Ų78.223%0.22537%0.374CS..EExtended strand (participates in β ladder)trans-118.5120.3-175.1-68.7170.1000110.6S244 N298 F302S244-L300 PolarHBondContact N-O 2.88Å; N298-L300 HydrophobicContact CB-CG 4.37Å; N298-L300 PolarHBondContact O-N 2.8Å; L300-F302 HydrophobicContact CB-CD2 4.37Å; L300-F302 HydrophobicContact CB-CE2 3.51Å; L300-F302 HydrophobicContact CB-CZ 3.61Å; L300-F302 HydrophobicContact CD1-CZ 3.98Å; L300-F302 HydrophobicContact CG-CZ 4.42Å; L300-F302 WeakPolarHBondContact O-CD2 3.47Å; L300-F302 WeakPolarHBondContact O-CE2 3.42Å
301D77Confident61.6Low0 Ų078.4 Ų78.40%037%0.368CS..EExtended strand (participates in β ladder)trans-86.9152.7162.4-54.4-80.5000108.8P215 L216 V218 I225 Y242 Y243 I258 R279P215-D301 CarbonylContact C-O 3.56Å; L216-D301 HydrophobicContact CB-CB 4.01Å; L216-D301 HydrophobicContact CD1-CB 4.3Å; L216-D301 PolarHBondContact N-O 3.02Å; L216-D301 PolarHBondContact O-N 3.44Å; V218-D301 WeakPolarHBondContact CB-OD2 3.09Å; V218-D301 HydrophobicContact CG2-CB 4.32Å; V218-D301 WeakPolarHBondContact CG2-OD2 3.02Å; I225-D301 HydrophobicContact CD1-CB 4.11Å; Y242-D301 CarbonylContact O-C 3.54Å; Y242-D301 WeakPolarHBondContact O-CA 3.47Å; Y243-D301 WeakPolarHBondContact CD2-OD1 3.49Å; I258-D301 HydrophobicContact CD1-CB 4.45Å; I258-D301 WeakPolarHBondContact CD1-OD1 3.07Å; R279-D301 IonicContact CZ-OD2 2.9Å; R279-D301 IonicContact NH2-OD1 2.75Å; R279-D301 PolarHBondContact NH2-OD1 2.87Å; R279-D301 IonicContact NH2-OD2 3.25Å; R279-D301 PolarHBondContact NH2-OD2 2.67Å
302F80.3Confident64.1Low14 Ų1479.5 Ų79.56%0.06137%0.372CS..EExtended strand (participates in β ladder)trans-134.8129.9-177.1-65.1-87.9000110.6L213 I214 P215 I241 Y242 M255 L300L213-F302 HydrophobicContact CB-CD1 4.01Å; L213-F302 HydrophobicContact CD2-CB 4.41Å; I214-F302 CarbonylContact O-C 3.54Å; I214-F302 WeakPolarHBondContact O-CA 3.28Å; P215-F302 HydrophobicContact CB-CD1 4.22Å; P215-F302 HydrophobicContact CB-CE1 4Å; I241-F302 WeakPolarHBondContact CA-O 3.49Å; Y242-F302 PolarHBondContact N-O 2.96Å; Y242-F302 PolarHBondContact O-N 3.49Å; M255-F302 HydrophobicContact CE-CD2 3.67Å; M255-F302 HydrophobicContact CE-CE2 3.72Å; M255-F302 HydrophobicContact CE-CG 4.23Å; M255-F302 HydrophobicContact CE-CZ 4.31Å; M255-F302 HydrophobicContact SD-CD2 4Å; M255-F302 HydrophobicContact SD-CG 4.5Å; L300-F302 HydrophobicContact CB-CD2 4.37Å; L300-F302 HydrophobicContact CB-CE2 3.51Å; L300-F302 HydrophobicContact CB-CZ 3.61Å; L300-F302 HydrophobicContact CD1-CZ 3.98Å; L300-F302 HydrophobicContact CG-CZ 4.42Å; L300-F302 WeakPolarHBondContact O-CD2 3.47Å; L300-F302 WeakPolarHBondContact O-CE2 3.42Å
303M81.2Confident66.4Low0 Ų077.3 Ų77.30%037%0.369CS..EExtended strand (participates in β ladder)trans-80.2124158.4177.8-169.348.600108.6L213 I214 V229 F239 L305 Y319 F321L213-M303 CarbonylContact C-O 3.57Å; L213-M303 WeakPolarHBondContact CA-O 3.29Å; I214-M303 HydrophobicContact CB-CB 4.33Å; I214-M303 HydrophobicContact CB-CE 3.93Å; I214-M303 HydrophobicContact CD1-CE 3.2Å; I214-M303 HydrophobicContact CG1-CE 3.63Å; I214-M303 PolarHBondContact N-O 2.9Å; I214-M303 PolarHBondContact O-N 3.16Å; V229-M303 HydrophobicContact CG2-SD 3.92Å; F239-M303 HydrophobicContact CD2-CG 4.03Å; F239-M303 HydrophobicContact CD2-SD 3.9Å; F239-M303 HydrophobicContact CE2-CG 3.65Å; F239-M303 HydrophobicContact CE2-SD 3.54Å; F239-M303 VanDerWaalsContact CE2-SD 3.54Å; M303-L305 HydrophobicContact CE-CD1 3.83Å; M303-L305 HydrophobicContact CE-CD2 4.35Å; M303-L305 HydrophobicContact CE-CG 3.92Å; M303-L305 HydrophobicContact CG-CD2 4.49Å; M303-L305 HydrophobicContact CG-CG 4.46Å; M303-L305 HydrophobicContact SD-CD1 4.36Å; M303-L305 HydrophobicContact SD-CD2 3.8Å; M303-L305 HydrophobicContact SD-CG 3.96Å; M303-Y319 HydrophobicContact CE-CD1 4.45Å; M303-Y319 HydrophobicContact CE-CD2 3.92Å; M303-Y319 HydrophobicContact CE-CE2 4.21Å; M303-Y319 HydrophobicContact CE-CG 4.04Å; M303-F321 HydrophobicContact CB-CE1 4.11Å; M303-F321 HydrophobicContact CB-CE2 4.05Å; M303-F321 HydrophobicContact CB-CZ 3.56Å; M303-F321 HydrophobicContact CE-CD2 4.49Å; M303-F321 HydrophobicContact CE-CE2 3.46Å; M303-F321 VanDerWaalsContact CE-CE2 3.46Å; M303-F321 HydrophobicContact CE-CZ 3.94Å; M303-F321 HydrophobicContact CG-CE1 4.46Å; M303-F321 HydrophobicContact CG-CE2 4.13Å; M303-F321 HydrophobicContact CG-CZ 3.59Å; M303-F321 HydrophobicContact SD-CE1 4.45Å; M303-F321 HydrophobicContact SD-CE2 3.3Å; M303-F321 WeakPolarHBondContact SD-CE2 3.42Å; M303-F321 HydrophobicContact SD-CZ 3.18Å; M303-F321 WeakPolarHBondContact SD-CZ 3.38Å
304R84.1Confident69.2Low33 Ų3371.2 Ų71.213%0.12534%0.341CS..EExtended strand (participates in β ladder)trans-96.2125170.6-176.2-174.9-179.6-170.28110.8E211 I212 L213 F239 G240 Y242 I252 N306E211-R304 IonicContact OE2-CZ 2.79Å; E211-R304 VanDerWaalsContact OE2-CZ 3.25Å; E211-R304 IonicContact OE2-NE 3.08Å; E211-R304 PolarHBondContact OE2-NE 3.38Å; E211-R304 IonicContact OE2-NH2 3.66Å; E211-R304 PolarHBondContact OE2-NH2 2.86Å; I212-R304 WeakPolarHBondContact O-CA 3.32Å; L213-R304 HydrophobicContact CD2-CB 3.78Å; L213-R304 HydrophobicContact CD2-CG 3.9Å; F239-R304 WeakPolarHBondContact CA-O 3.43Å; G240-R304 PolarHBondContact N-O 2.61Å; G240-R304 PolarHBondContact O-N 3.28Å; Y242-R304 HydrophobicContact CD2-CB 3.63Å; Y242-R304 HydrophobicContact CE2-CB 3.57Å; Y242-R304 HydrophobicContact CE2-CG 4.14Å; Y242-R304 PolarHBondContact OH-NH1 3Å; I252-R304 HydrophobicContact CD1-CG 4.28Å; I252-R304 VanDerWaalsContact CD1-NE 3.3Å; R304-N306 HydrophobicContact CG-CB 4.5Å; R304-N306 PolarHBondContact NH2-ND2 3.34Å
305L84.9Confident71.6Confident0 Ų069.2 Ų69.20%033%0.326CS..EExtended strand (participates in β ladder)trans-111113.9164.8-62.2175.5000109.5V204 V206 E211 I212 I214 V229 G238 F239 M303V204-L305 HydrophobicContact CG1-CD1 3.73Å; V206-L305 HydrophobicContact CG2-CB 3.69Å; V206-L305 HydrophobicContact CG2-CD1 3.97Å; V206-L305 HydrophobicContact CG2-CG 4.47Å; E211-L305 CarbonylContact C-O 3.6Å; E211-L305 WeakPolarHBondContact CA-O 3.42Å; E211-L305 WeakPolarHBondContact CB-O 2.91Å; I212-L305 PolarHBondContact N-O 3.02Å; I212-L305 PolarHBondContact O-N 3.31Å; I214-L305 HydrophobicContact CD1-CD1 4.48Å; V229-L305 HydrophobicContact CG1-CD2 4.42Å; G238-L305 CarbonylContact O-C 3.52Å; G238-L305 VanDerWaalsContact O-CA 3.31Å; G238-L305 WeakPolarHBondContact O-CA 3.22Å; F239-L305 HydrophobicContact CD2-CD2 4.09Å; M303-L305 HydrophobicContact CE-CD1 3.83Å; M303-L305 HydrophobicContact CE-CD2 4.35Å; M303-L305 HydrophobicContact CE-CG 3.92Å; M303-L305 HydrophobicContact CG-CD2 4.49Å; M303-L305 HydrophobicContact CG-CG 4.46Å; M303-L305 HydrophobicContact SD-CD1 4.36Å; M303-L305 HydrophobicContact SD-CD2 3.8Å; M303-L305 HydrophobicContact SD-CG 3.96Å
306N83.3Confident74Confident3 Ų365.9 Ų65.92%0.01631%0.306CS..EExtended strand (participates in β ladder)trans-111.4117-172-176.65.3000112.2E211 G238 Y261 R304 K308E211-N306 HydrophobicContact CB-CB 4.39Å; G238-N306 PolarHBondContact N-O 3.19Å; G238-N306 PolarHBondContact O-N 3.39Å; Y261-N306 HydrophobicContact CE2-CB 4.09Å; Y261-N306 PolarHBondContact OH-ND2 2.85Å; R304-N306 HydrophobicContact CG-CB 4.5Å; R304-N306 PolarHBondContact NH2-ND2 3.34Å; N306-K308 VanDerWaalsContact OD1-CB 3.22Å; N306-K308 WeakPolarHBondContact OD1-CB 3.45Å; N306-K308 WeakPolarHBondContact OD1-CG 3.3Å; N306-K308 PolarHBondContact OD1-N 2.75Å
307N87.1Confident76.2Confident1 Ų157 Ų571%0.00526%0.264CS..  trans-119.920.4173.7-164.625.3000113V206 N207 Q209 S210 Y309 S310 L313 K315V206-N307 HydrophobicContact CB-CB 4.03Å; V206-N307 HydrophobicContact CG1-CB 3.42Å; V206-N307 VanDerWaalsContact CG1-CB 3.42Å; V206-N307 PolarHBondContact O-ND2 3.23Å; N207-N307 WeakPolarHBondContact O-CB 3.35Å; N207-N307 PolarHBondContact O-ND2 2.99Å; Q209-N307 PolarHBondContact N-O 2.88Å; Q209-N307 VanDerWaalsContact N-O 3.13Å; S210-N307 CarbonylContact O-C 3.19Å; S210-N307 VanDerWaalsContact O-CA 3.23Å; S210-N307 WeakPolarHBondContact O-CA 3.38Å; S210-N307 WeakPolarHBondContact O-CB 3.27Å; S210-N307 PolarHBondContact O-N 3.27Å; N307-Y309 PolarHBondContact O-N 2.9Å; N307-Y309 VanDerWaalsContact O-N 3.11Å; N307-S310 PolarHBondContact O-N 2.76Å; N307-S310 WeakPolarHBondContact OD1-CB 3.41Å; N307-S310 PolarHBondContact OD1-OG 3.12Å; N307-S310 VanDerWaalsContact OD1-OG 3.07Å; N307-L313 PolarHBondContact ND2-O 3.2Å; N307-K315 HydrophobicContact CB-CD 4.3Å; N307-K315 WeakPolarHBondContact OD1-CD 3.39Å; N307-K315 WeakPolarHBondContact OD1-CE 3.44Å; N307-K315 PolarHBondContact OD1-NZ 3.3Å
308K83.3Confident78.4Confident100 Ų10054.3 Ų54.344%0.43525%0.253SS..THydrogen-bonded Turntrans-56.7-29.9-177.5-76.9178.4161175.60114S210 E211 N306S210-K308 PolarHBondContact O-N 2.71Å; E211-K308 VanDerWaalsContact CD-CE 3.43Å; E211-K308 VanDerWaalsContact CD-NZ 3.35Å; E211-K308 WeakPolarHBondContact OE1-CE 3.37Å; E211-K308 IonicContact OE1-NZ 2.6Å; E211-K308 PolarHBondContact OE1-NZ 3.04Å; E211-K308 IonicContact OE2-NZ 3.76Å; N306-K308 VanDerWaalsContact OD1-CB 3.22Å; N306-K308 WeakPolarHBondContact OD1-CB 3.45Å; N306-K308 WeakPolarHBondContact OD1-CG 3.3Å; N306-K308 PolarHBondContact OD1-N 2.75Å
309Y76.7Confident80.3Confident148 Ų14849.9 Ų49.958%0.5823%0.227SC*.THydrogen-bonded Turntrans-86.2-10.8-175.4-57-77.2000114.9N307N307-Y309 PolarHBondContact O-N 2.9Å; N307-Y309 VanDerWaalsContact O-N 3.11Å
310S75.5Confident81.8Confident21 Ų2148.7 Ų48.715%0.14722%0.221CC..  trans-91.6114.5179.3-68.40000110.2R208 Q209 N307 L313 K315R208-S310 WeakPolarHBondContact CB-O 3.28Å; Q209-S310 PolarHBondContact N-O 3.29Å; Q209-S310 VanDerWaalsContact N-O 3.14Å; N307-S310 PolarHBondContact O-N 2.76Å; N307-S310 WeakPolarHBondContact OD1-CB 3.41Å; N307-S310 PolarHBondContact OD1-OG 3.12Å; N307-S310 VanDerWaalsContact OD1-OG 3.07Å; S310-L313 WeakPolarHBondContact CB-O 3.37Å; S310-K315 WeakPolarHBondContact OG-CE 3.23Å; S310-K315 PolarHBondContact OG-NZ 3.02Å
311Y77.2Confident82.6Confident151 Ų15148.4 Ų48.459%0.59222%0.218SC*.SBendtrans-77.4-32.6176.4-66.4-85000112.9R208R208-Y311 WeakPolarHBondContact CD-O 3.03Å
312F79Confident82.7Confident181 Ų18151.3 Ų51.379%0.79424%0.239SC*.SBendtrans-108.4-28.4-167.1-56.9-69.9000114.4
313L81.8Confident82.5Confident89 Ų8953.3 Ų53.347%0.46625%0.252SS..  trans-125126.8-166.1-58.4175.7000112.1N235 N307 S310N235-L313 WeakPolarHBondContact ND2-CD1 3.38Å; N307-L313 PolarHBondContact ND2-O 3.2Å; S310-L313 WeakPolarHBondContact CB-O 3.37Å
314S86.6Confident82.1Confident40 Ų4055.7 Ų55.728%0.2827%0.271SS..  trans-73.7157.7161.4-63.90000110.1V206 N207 R208V206-S314 WeakPolarHBondContact O-CA 3.27Å; N207-S314 WeakPolarHBondContact CA-OG 3.49Å; R208-S314 PolarHBondContact N-OG 3.38Å
315K83.7Confident81.5Confident0 Ų056.9 Ų56.90%028%0.282CS..EExtended strand (participates in β ladder)trans-121.7126.8-176-64.2176.5-177.5159.60110T205 V206 S233 N235 D236 V237 N307 S310 L317T205-K315 CarbonylContact C-O 3.51Å; T205-K315 WeakPolarHBondContact CA-O 3.37Å; V206-K315 PolarHBondContact N-O 2.81Å; V206-K315 PolarHBondContact O-N 3.2Å; S233-K315 VanDerWaalsContact OG-CA 3.28Å; S233-K315 WeakPolarHBondContact OG-CA 3.25Å; N235-K315 HydrophobicContact CB-CG 4.44Å; D236-K315 WeakPolarHBondContact O-CD 3.18Å; D236-K315 WeakPolarHBondContact O-CE 3.43Å; D236-K315 PolarHBondContact O-NZ 3.41Å; D236-K315 IonicContact OD1-NZ 3.24Å; D236-K315 PolarHBondContact OD1-NZ 2.86Å; V237-K315 HydrophobicContact CB-CD 3.81Å; V237-K315 HydrophobicContact CG2-CD 3.97Å; N307-K315 HydrophobicContact CB-CD 4.3Å; N307-K315 WeakPolarHBondContact OD1-CD 3.39Å; N307-K315 WeakPolarHBondContact OD1-CE 3.44Å; N307-K315 PolarHBondContact OD1-NZ 3.3Å; S310-K315 WeakPolarHBondContact OG-CE 3.23Å; S310-K315 PolarHBondContact OG-NZ 3.02Å; K315-L317 HydrophobicContact CB-CD1 4.15Å
316H86.3Confident80.2Confident89 Ų8960.9 Ų60.941%0.41231%0.306SS..EExtended strand (participates in β ladder)trans-105.1128.6-178.9-58.9-70.7000108.6T205 S231 L232 S233T205-H316 WeakPolarHBondContact CG2-ND1 3.48Å; T205-H316 PolarHBondContact OG1-ND1 2.87Å; S231-H316 PolarHBondContact OG-O 2.89Å; L232-H316 HydrophobicContact CB-CB 4.17Å; L232-H316 PolarHBondContact N-O 2.95Å; S233-H316 PolarHBondContact N-O 3.05Å; S233-H316 PolarHBondContact OG-N 2.79Å
317L85.7Confident78.6Confident0 Ų064.2 Ų64.20%034%0.342CS..EExtended strand (participates in β ladder)trans-135.3153.6-177.3-58.7105.8000111.3A203 V204 V206 V229 K230 V237 K315A203-L317 CarbonylContact C-O 3.6Å; A203-L317 WeakPolarHBondContact CA-O 3.36Å; V204-L317 HydrophobicContact CG1-CB 3.86Å; V204-L317 HydrophobicContact CG1-CD1 4.47Å; V204-L317 PolarHBondContact N-O 2.83Å; V204-L317 PolarHBondContact O-N 2.88Å; V206-L317 HydrophobicContact CG2-CD1 3.7Å; V229-L317 HydrophobicContact CG1-CD2 3.69Å; K230-L317 CarbonylContact O-C 3.54Å; K230-L317 WeakPolarHBondContact O-CA 3.35Å; V237-L317 HydrophobicContact CB-CD2 4.44Å; V237-L317 HydrophobicContact CG1-CD1 4.38Å; V237-L317 HydrophobicContact CG1-CD2 3.47Å; V237-L317 VanDerWaalsContact CG1-CD2 3.47Å; V237-L317 HydrophobicContact CG2-CD1 4.46Å; K315-L317 HydrophobicContact CB-CD1 4.15Å
318E87.3Confident76.4Confident44 Ų4468.8 Ų68.821%0.20637%0.37CS..EExtended strand (participates in β ladder)trans-109.2134.9162.5-67.2-179.7152.900108.2L201 T202 V229 K230 L232L201-E318 HydrophobicContact CB-CB 4.31Å; L201-E318 HydrophobicContact CD1-CB 4.43Å; L201-E318 HydrophobicContact CD2-CB 4.48Å; T202-E318 CarbonylContact O-C 3.51Å; T202-E318 WeakPolarHBondContact O-CA 3.1Å; V229-E318 CarbonylContact C-O 3.58Å; V229-E318 WeakPolarHBondContact CA-O 3.4Å; K230-E318 PolarHBondContact N-O 3.19Å; K230-E318 PolarHBondContact O-N 2.77Å; L232-E318 HydrophobicContact CD1-CG 3.96Å; L232-E318 HydrophobicContact CD2-CG 4.25Å; L232-E318 HydrophobicContact CG-CG 4.23Å
319Y87.1Confident74Confident34 Ų3470 Ų7013%0.13339%0.388CS..EExtended strand (participates in β ladder)trans-139.3160.7177.276.9-85.8000112.7T202 V204 I214 Y228 M303 F321T202-Y319 HydrophobicContact CG2-CE1 3.66Å; T202-Y319 PolarHBondContact N-O 3.07Å; T202-Y319 VanDerWaalsContact O-CD1 3.27Å; T202-Y319 WeakPolarHBondContact O-CD1 3.15Å; T202-Y319 PolarHBondContact O-N 3.07Å; V204-Y319 HydrophobicContact CB-CD1 4.07Å; V204-Y319 HydrophobicContact CB-CE1 3.87Å; V204-Y319 HydrophobicContact CG1-CD1 3.64Å; V204-Y319 HydrophobicContact CG1-CE1 3.95Å; I214-Y319 HydrophobicContact CD1-CD1 4.17Å; I214-Y319 HydrophobicContact CD1-CD2 4.46Å; I214-Y319 HydrophobicContact CD1-CE1 3.48Å; I214-Y319 VanDerWaalsContact CD1-CE1 3.48Å; I214-Y319 HydrophobicContact CD1-CE2 3.81Å; I214-Y319 WeakPolarHBondContact CD1-OH 3.07Å; I214-Y319 HydrophobicContact CG2-CE2 4.22Å; Y228-Y319 CarbonylContact O-C 3.59Å; Y228-Y319 WeakPolarHBondContact O-CA 3.45Å; Y228-Y319 WeakPolarHBondContact O-CB 3.44Å; M303-Y319 HydrophobicContact CE-CD1 4.45Å; M303-Y319 HydrophobicContact CE-CD2 3.92Å; M303-Y319 HydrophobicContact CE-CE2 4.21Å; M303-Y319 HydrophobicContact CE-CG 4.04Å; Y319-F321 AromaticContact CD2-CD2 3.54Å; Y319-F321 HydrophobicContact CD2-CD2 3.54Å; Y319-F321 AromaticContact CD2-CE2 3.54Å; Y319-F321 HydrophobicContact CD2-CE2 3.54Å; Y319-F321 AromaticContact CE2-CD2 3.94Å; Y319-F321 HydrophobicContact CE2-CD2 3.94Å; Y319-F321 HydrophobicContact CE2-CE2 4.19Å; Y319-F321 HydrophobicContact CG-CE2 4.37Å
320N85.8Confident72.1Confident31 Ų3167.6 Ų67.617%0.16639%0.393CS..EExtended strand (participates in β ladder)trans-147.7145.7169.2175-80000109.1P198 K200 L201 Y228P198-N320 HydrophobicContact CB-CB 3.83Å; P198-N320 WeakPolarHBondContact CB-OD1 3.5Å; P198-N320 HydrophobicContact CG-CB 3.67Å; P198-N320 VanDerWaalsContact CG-CG 3.48Å; P198-N320 WeakPolarHBondContact CG-OD1 3.18Å; K200-N320 WeakPolarHBondContact O-CB 3.47Å; K200-N320 PolarHBondContact O-ND2 3.06Å; L201-N320 HydrophobicContact CD2-CB 4.04Å; Y228-N320 PolarHBondContact N-O 3.13Å; Y228-N320 PolarHBondContact O-N 3.14Å
321F81.3Confident69.8Low37 Ų3776.1 Ų76.116%0.16243%0.431CS..EExtended strand (participates in β ladder)trans-126.8147.8171.1-75.3-96.7000109.8L216 I225 S226 W227 F239 M303 Y319L216-F321 HydrophobicContact CD1-CD1 3.94Å; L216-F321 HydrophobicContact CD1-CE1 4.01Å; L216-F321 HydrophobicContact CD2-CB 3.79Å; L216-F321 HydrophobicContact CD2-CD1 3.5Å; L216-F321 VanDerWaalsContact CD2-CD1 3.5Å; L216-F321 HydrophobicContact CD2-CD2 3.96Å; L216-F321 HydrophobicContact CD2-CE1 4.06Å; L216-F321 HydrophobicContact CD2-CG 3.45Å; L216-F321 VanDerWaalsContact CD2-CG 3.45Å; L216-F321 HydrophobicContact CG-CD1 4.39Å; I225-F321 HydrophobicContact CG2-CD1 4.15Å; S226-F321 WeakPolarHBondContact O-CA 3.34Å; W227-F321 HydrophobicContact CB-CD1 3.71Å; W227-F321 HydrophobicContact CB-CE1 3.21Å; W227-F321 HydrophobicContact CB-CE2 4.41Å; W227-F321 HydrophobicContact CB-CZ 3.55Å; W227-F321 HydrophobicContact CG-CE1 4.29Å; F239-F321 HydrophobicContact CE2-CZ 4.26Å; M303-F321 HydrophobicContact CB-CE1 4.11Å; M303-F321 HydrophobicContact CB-CE2 4.05Å; M303-F321 HydrophobicContact CB-CZ 3.56Å; M303-F321 HydrophobicContact CE-CD2 4.49Å; M303-F321 HydrophobicContact CE-CE2 3.46Å; M303-F321 VanDerWaalsContact CE-CE2 3.46Å; M303-F321 HydrophobicContact CE-CZ 3.94Å; M303-F321 HydrophobicContact CG-CE1 4.46Å; M303-F321 HydrophobicContact CG-CE2 4.13Å; M303-F321 HydrophobicContact CG-CZ 3.59Å; M303-F321 HydrophobicContact SD-CE1 4.45Å; M303-F321 HydrophobicContact SD-CE2 3.3Å; M303-F321 WeakPolarHBondContact SD-CE2 3.42Å; M303-F321 HydrophobicContact SD-CZ 3.18Å; M303-F321 WeakPolarHBondContact SD-CZ 3.38Å; Y319-F321 AromaticContact CD2-CD2 3.54Å; Y319-F321 HydrophobicContact CD2-CD2 3.54Å; Y319-F321 AromaticContact CD2-CE2 3.54Å; Y319-F321 HydrophobicContact CD2-CE2 3.54Å; Y319-F321 AromaticContact CE2-CD2 3.94Å; Y319-F321 HydrophobicContact CE2-CD2 3.94Å; Y319-F321 HydrophobicContact CE2-CE2 4.19Å; Y319-F321 HydrophobicContact CG-CE2 4.37Å
322S78.4Confident67.5Low62 Ų6280.3 Ų80.343%0.43445%0.445SS..EExtended strand (participates in β ladder)trans-134.4141.6165.853.40000109S226S226-S322 PolarHBondContact N-O 3.13Å; S226-S322 PolarHBondContact O-N 3.21Å
323V75.6Confident65.1Low55 Ų5575 Ų7533%0.33344%0.442SS..EExtended strand (participates in β ladder)trans-116.6118.5174.7-179.10000106V218 A223V218-V323 HydrophobicContact CB-CG1 4.35Å; V218-V323 HydrophobicContact CG1-CG1 4.15Å; V218-V323 HydrophobicContact CG2-CG1 3.92Å; V218-V323 HydrophobicContact CG2-CG2 3.92Å; A223-V323 HydrophobicContact CB-CG1 3.84Å
324A74.5Confident62.7Low50 Ų5080.8 Ų80.841%0.41347%0.467SS..EExtended strand (participates in β ladder)trans-114.4127.3178.400000110.1A223 T224A223-A324 CarbonylContact C-O 3.52Å; A223-A324 WeakPolarHBondContact CA-O 3.37Å; T224-A324 PolarHBondContact N-O 3.11Å; T224-A324 PolarHBondContact O-N 3.27Å
325V70.1Confident59.9Low58 Ų5883.3 Ų83.335%0.35249%0.49SS..EExtended strand (participates in β ladder)trans-75127.5176.6-176.90000109.3T220 G327 T328T220-V325 HydrophobicContact CG2-CB 4.47Å; T220-V325 HydrophobicContact CG2-CG1 3.9Å; T220-V325 HydrophobicContact CG2-CG2 3.7Å; V325-G327 PolarHBondContact O-N 3.46Å; V325-T328 PolarHBondContact O-N 2.9Å; V325-T328 PolarHBondContact O-OG1 3.35Å; V325-T328 VanDerWaalsContact O-OG1 3.04Å
326V57.2Low57.4Low84 Ų8496.1 Ų96.151%0.50955%0.549SS..THydrogen-bonded Turntrans-67.2107.6178.8-178.60000108.9L222L222-V326 HydrophobicContact CB-CB 4.45Å; L222-V326 PolarHBondContact O-N 2.6Å
327G50Low56Low74 Ų7496.5 Ų96.576%0.76356%0.556SS**THydrogen-bonded Turntrans126-5.9179.600000115.5V325V325-G327 PolarHBondContact O-N 3.46Å
328T41.9Very low54.4Low97 Ų97101.5 Ų101.560%0.59559%0.586SS**SBendtrans-82.9126.1168.347.10000109.8V325 S330V325-T328 PolarHBondContact O-N 2.9Å; V325-T328 PolarHBondContact O-OG1 3.35Å; V325-T328 VanDerWaalsContact O-OG1 3.04Å; T328-S330 PolarHBondContact O-N 2.64Å
329P32.1Very low52.6Low124 Ų124104.7 Ų104.781%0.80561%0.607SS**PPolyproline II helixtrans-64.1119.7174.9-13.626.8000108.7E331P329-E331 PolarHBondContact O-N 3.12Å
330S36.4Very low50.6Low99 Ų99108.9 Ų108.969%0.69264%0.635SS**PPolyproline II helixtrans-55.6126.2164.6124.50000107.2T328 R332T328-S330 PolarHBondContact O-N 2.64Å; S330-R332 PolarHBondContact O-N 3.27Å
331E28.5Very low48.4Very low200 Ų200113.8 Ų113.894%0.93566%0.664SS**  trans-43.697.5178.7-68.1173.7162.400110.4P329P329-E331 PolarHBondContact O-N 3.12Å
332R28.7Very low46.2Very low238 Ų238118.9 Ų118.990%0.89870%0.697SS**  trans-104.1106.2166.8-86.8-166.4-175.9-159.53.1106.8S330S330-R332 PolarHBondContact O-N 3.27Å
333G29Very low43.9Very low71 Ų71122.9 Ų122.973%0.73272%0.716SS**  trans78.282.8145.700000116A335G333-A335 VanDerWaalsContact C-N 3.31Å; G333-A335 PolarHBondContact O-N 2.98Å
334E29.9Very low41.5Very low210 Ų210128.2 Ų128.298%0.98175%0.746SS**  trans-77.193.5140-72.2-176.7167.200107.2
335A28.4Very low38.7Very low92 Ų92134.7 Ų134.776%0.7677%0.773SS**  trans-141.678163.400000107.1G333G333-A335 VanDerWaalsContact C-N 3.31Å; G333-A335 PolarHBondContact O-N 2.98Å
336E32.3Very low35.9Very low269 Ų269141.6 Ų141.6100%1.25781%0.812SS**  trans-104.10143.4-70.7-171.216100106.9

Retrieved 336 of 336 residues in 201 ms (Link to these results)

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