A0A077Z209_TRITR Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A077Z209, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 258 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M34.8Very low32Very low237 Ų237122.4 Ų122.4100%1.16780%0.804SS**  0105.40-66.4-165.8172.400107.8
2P35.3Very low33.4Very low132 Ų132127.1 Ų127.186%0.85780%0.802SS**  trans-88.4143.4166.122.6-7.3000109.8
3A33.1Very low35.2Very low100 Ų100128.8 Ų128.883%0.82679%0.794SS**  trans-62.1143.2-165.800000114.1G5A3-G5 PolarHBondContact O-N 3.41Å; A3-G5 VanDerWaalsContact O-N 3.11Å
4V33.4Very low38.2Very low134 Ų134125.2 Ų125.281%0.81277%0.767SS**  trans-61.6105.7163.9171.90000107.6T6V4-T6 HydrophobicContact CG1-CG2 4.47Å; V4-T6 PolarHBondContact O-N 3.01Å
5G30.7Very low41.3Very low70 Ų70118.3 Ų118.372%0.72273%0.726SS**  trans-70.9104.8163.600000108.3A3 S7A3-G5 PolarHBondContact O-N 3.41Å; A3-G5 VanDerWaalsContact O-N 3.11Å; G5-S7 PolarHBondContact O-N 3.03Å; G5-S7 VanDerWaalsContact O-N 3.09Å
6T28.5Very low44.4Very low127 Ų127111.7 Ų111.778%0.77968%0.684SS**  trans-6998.1161.949.20000107.1V4 A8V4-T6 HydrophobicContact CG1-CG2 4.47Å; V4-T6 PolarHBondContact O-N 3.01Å; T6-A8 PolarHBondContact O-N 3.08Å; T6-A8 VanDerWaalsContact O-N 3.12Å
7S30.3Very low47Very low111 Ų111105.8 Ų105.878%0.77665%0.648SS**  trans-63.4110.6163.654.30000107.1G5 D9G5-S7 PolarHBondContact O-N 3.03Å; G5-S7 VanDerWaalsContact O-N 3.09Å; S7-D9 PolarHBondContact O-N 3.15Å; S7-D9 VanDerWaalsContact O-N 3.1Å
8A30.2Very low49.5Very low91 Ų91101.7 Ų101.775%0.75262%0.623SS**  trans-54.2116.8167.500000107.8T6 S10T6-A8 PolarHBondContact O-N 3.08Å; T6-A8 VanDerWaalsContact O-N 3.12Å; A8-S10 PolarHBondContact O-N 3.16Å
9D28Very low51.8Low152 Ų15297 Ų9781%0.81359%0.594SS**  trans-66.988170.3-163.68.9000106.7S7 S11S7-D9 PolarHBondContact O-N 3.15Å; S7-D9 VanDerWaalsContact O-N 3.1Å; D9-S11 PolarHBondContact O-N 2.77Å
10S32.6Very low54Low100 Ų10093.9 Ų93.970%0.69957%0.572SS**  trans-70.781.6168.763.90000106.8A8 K12A8-S10 PolarHBondContact O-N 3.16Å; S10-K12 PolarHBondContact O-N 3.3Å
11S35.2Very low56Low92 Ų9290.3 Ų90.364%0.64355%0.551SS**  trans-50.3111164.354.60000106.5D9 E13D9-S11 PolarHBondContact O-N 2.77Å; S11-E13 PolarHBondContact O-N 3.06Å
12K48.6Very low59Low179 Ų17979.9 Ų79.978%0.77850%0.501SS*.  trans-55.5104.7-179.5-72.5178.1178.5179.40107.6S10 D14S10-K12 PolarHBondContact O-N 3.3Å; K12-D14 PolarHBondContact O-N 3.04Å
13E56.9Low61.9Low150 Ų15074 Ų7470%0.70146%0.463SS*.  trans-66.6120.6176.3-80.8-175.7157.800108.5S11 C15S11-E13 PolarHBondContact O-N 3.06Å; E13-C15 PolarHBondContact O-N 3.16Å; E13-C15 VanDerWaalsContact O-N 3.14Å
14D77Confident64.9Low78 Ų7876.2 Ų76.242%0.41746%0.456SS..  trans-62118.1171.1-77-35.4000108.7K12 V101 K102 N173K12-D14 PolarHBondContact O-N 3.04Å; D14-V101 HydrophobicContact CB-CG1 4.14Å; D14-V101 HydrophobicContact CB-CG2 4.34Å; D14-V101 WeakPolarHBondContact O-CG1 3.39Å; D14-K102 PolarHBondContact O-N 2.81Å; D14-N173 PolarHBondContact OD1-ND2 3.06Å
15C85.5Confident67.9Low22 Ų2269.9 Ų69.915%0.14942%0.417CS..BIsolated β-bridgetrans-122.3119-178.2-174.40000109.1E13 K102 N103 W170E13-C15 PolarHBondContact O-N 3.16Å; E13-C15 VanDerWaalsContact O-N 3.14Å; C15-K102 HydrophobicContact CB-CB 4.2Å; C15-N103 PolarHBondContact SG-ND2 3.19Å; C15-N103 VanDerWaalsContact SG-ND2 3.41Å; C15-W170 HydrophobicContact CB-CG 4.44Å
16W89.4Confident71.1Confident12 Ų1266.5 Ų66.55%0.04538%0.383CS..PPolyproline II helixtrans-93.2159.5177.1-68.95.4000110.4V101 K102 N103 A104 M107 M146 L152 I153 Q156W16-V101 HydrophobicContact CB-CG1 4.36Å; W16-V101 VanDerWaalsContact CD1-CG1 3.44Å; W16-V101 HydrophobicContact CD2-CG1 3.79Å; W16-V101 HydrophobicContact CG-CG1 3.62Å; W16-V101 HydrophobicContact CZ2-CG1 4.49Å; W16-K102 PolarHBondContact N-O 3.25Å; W16-N103 WeakPolarHBondContact O-CB 3.33Å; W16-N103 PolarHBondContact O-ND2 2.69Å; W16-N103 VanDerWaalsContact O-ND2 3.08Å; W16-A104 HydrophobicContact CD2-CB 4.26Å; W16-A104 HydrophobicContact CE3-CB 3.7Å; W16-A104 HydrophobicContact CZ3-CB 4.09Å; W16-M107 HydrophobicContact CZ3-CB 4.39Å; W16-M107 HydrophobicContact CZ3-CG 4.32Å; W16-M146 HydrophobicContact CH2-CE 4.26Å; W16-M146 HydrophobicContact CH2-CG 4.38Å; W16-M146 HydrophobicContact CZ3-CE 4.4Å; W16-L152 HydrophobicContact CH2-CB 4.07Å; W16-I153 HydrophobicContact CH2-CG1 4.04Å; W16-I153 HydrophobicContact CZ2-CB 4.33Å; W16-I153 HydrophobicContact CZ2-CD1 4.22Å; W16-I153 HydrophobicContact CZ2-CG1 3.25Å; W16-Q156 HydrophobicContact CB-CG 4.44Å; W16-Q156 HydrophobicContact CE3-CB 4.06Å; W16-Q156 VanDerWaalsContact CE3-CD 3.43Å; W16-Q156 HydrophobicContact CE3-CG 4.04Å; W16-Q156 VanDerWaalsContact CE3-OE1 3.24Å; W16-Q156 HydrophobicContact CZ3-CB 4.38Å
17P89.2Confident74.3Confident12 Ų1261.5 Ų61.58%0.07835%0.351CS..PPolyproline II helixtrans-67.1134.4167.528-32.7000109.3Q156 A160 V167 Y169P17-Q156 PolarHBondContact O-NE2 2.68Å; P17-A160 HydrophobicContact CB-CB 3.74Å; P17-A160 HydrophobicContact CG-CB 3.87Å; P17-V167 HydrophobicContact CB-CG1 4.03Å; P17-Y169 HydrophobicContact CB-CD1 4.23Å; P17-Y169 HydrophobicContact CB-CE1 3.94Å; P17-Y169 HydrophobicContact CG-CE1 4.18Å
18P91.7Very high77.4Confident31 Ų3162.2 Ų62.220%0.20134%0.337CS..PPolyproline II helixtrans-66151.2177.629.2-35.1000111.1N103 V191P18-N103 HydrophobicContact CB-CB 4.21Å; P18-V191 HydrophobicContact CB-CG1 4.35Å; P18-V191 HydrophobicContact CB-CG2 4.32Å; P18-V191 HydrophobicContact CG-CG2 4.01Å
19L94.3Very high80.5Confident13 Ų1358 Ų587%0.06830%0.301CS..PPolyproline II helixtrans-89.8137.4174.3-66.4177.8000110.5V25 F26 L29 Q156 A159 A160L19-V25 HydrophobicContact CD2-CG1 4.47Å; L19-F26 HydrophobicContact CD1-CZ 4.46Å; L19-L29 HydrophobicContact CD1-CD1 3.62Å; L19-L29 HydrophobicContact CD2-CD1 4.35Å; L19-Q156 HydrophobicContact CD2-CG 4.08Å; L19-Q156 HydrophobicContact CG-CG 4.27Å; L19-A159 HydrophobicContact CD2-CB 3.69Å; L19-A160 HydrophobicContact CD2-CB 4.38Å
20E94.9Very high83.8Confident34 Ų3450.8 Ų50.816%0.15926%0.263CS..PPolyproline II helixtrans-70.6134.8169.8-172.6179.5106.200109.9N22 F26 G163 Q164 S165E20-N22 HydrophobicContact CB-CB 4.46Å; E20-N22 HydrophobicContact CG-CB 4.04Å; E20-N22 PolarHBondContact O-N 2.8Å; E20-N22 WeakPolarHBondContact OE1-CB 3.05Å; E20-N22 PolarHBondContact OE1-ND2 2.66Å; E20-F26 WeakPolarHBondContact O-CE2 3.36Å; E20-G163 WeakPolarHBondContact OE1-CA 3.23Å; E20-G163 WeakPolarHBondContact OE2-CA 3.2Å; E20-Q164 PolarHBondContact OE1-N 3.42Å; E20-Q164 VanDerWaalsContact OE1-N 3.09Å; E20-Q164 PolarHBondContact OE2-N 3.15Å; E20-S165 VanDerWaalsContact OE2-CB 3.26Å; E20-S165 WeakPolarHBondContact OE2-CB 3.41Å; E20-S165 PolarHBondContact OE2-N 2.74Å; E20-S165 PolarHBondContact OE2-OG 3.49Å
21S96.4Very high86.8Confident19 Ų1950.4 Ų50.413%0.13325%0.246CC..SBendtrans-73.779174-155.30000110.4F195 N249 I251S21-F195 WeakPolarHBondContact OG-CE1 3.23Å; S21-F195 WeakPolarHBondContact OG-CZ 3.32Å; S21-N249 WeakPolarHBondContact CB-OD1 3.4Å; S21-N249 PolarHBondContact OG-OD1 2.87Å; S21-I251 WeakPolarHBondContact OG-CD1 3.33Å
22N97Very high89.6Confident19 Ų1952.7 Ų52.710%0.10224%0.244CC..  trans-139.2120.5-174.7-179.4-31.5000109.3E20 Q24 V25 F26E20-N22 HydrophobicContact CB-CB 4.46Å; E20-N22 HydrophobicContact CG-CB 4.04Å; E20-N22 PolarHBondContact O-N 2.8Å; E20-N22 WeakPolarHBondContact OE1-CB 3.05Å; E20-N22 PolarHBondContact OE1-ND2 2.66Å; N22-Q24 PolarHBondContact O-N 3.3Å; N22-Q24 VanDerWaalsContact O-N 3.11Å; N22-Q24 WeakPolarHBondContact OD1-CB 3.21Å; N22-Q24 PolarHBondContact OD1-N 2.81Å; N22-V25 HydrophobicContact CB-CB 4.32Å; N22-V25 HydrophobicContact CB-CG2 3.87Å; N22-V25 WeakPolarHBondContact O-CB 3.46Å; N22-V25 PolarHBondContact O-N 2.79Å; N22-F26 WeakPolarHBondContact O-CD2 3.47Å; N22-F26 PolarHBondContact O-N 2.72Å; N22-F26 VanDerWaalsContact O-N 3.15Å
23P97.3Very high91.9Very high9 Ų944.1 Ų44.16%0.05821%0.207CC..Hα-helixtrans-53.1-34.5-179.7-29.836000114.4V25 F26 N27 C41 D43 I251P23-V25 VanDerWaalsContact C-N 3.34Å; P23-V25 PolarHBondContact O-N 2.86Å; P23-F26 PolarHBondContact O-N 3.22Å; P23-N27 VanDerWaalsContact O-CB 3.31Å; P23-N27 WeakPolarHBondContact O-CB 3.24Å; P23-N27 PolarHBondContact O-N 2.88Å; P23-N27 PolarHBondContact O-ND2 2.94Å; P23-C41 HydrophobicContact CB-CB 3.72Å; P23-C41 WeakPolarHBondContact CB-O 3.38Å; P23-D43 WeakPolarHBondContact CD-OD1 3.41Å; P23-D43 WeakPolarHBondContact CD-OD2 3.36Å; P23-D43 HydrophobicContact CG-CB 4.22Å; P23-D43 VanDerWaalsContact CG-CG 3.43Å; P23-D43 VanDerWaalsContact CG-N 3.35Å; P23-D43 WeakPolarHBondContact CG-OD1 3.48Å; P23-D43 WeakPolarHBondContact CG-OD2 3.34Å; P23-I251 HydrophobicContact CG-CG1 4.39Å; P23-I251 HydrophobicContact CG-CG2 4.47Å
24Q95.5Very high93.8Very high146 Ų14637 Ų3768%0.68217%0.174SC*.Hα-helixtrans-65.8-37.4179.1-59.4-176.9-8.200112.1N22 R28N22-Q24 PolarHBondContact O-N 3.3Å; N22-Q24 VanDerWaalsContact O-N 3.11Å; N22-Q24 WeakPolarHBondContact OD1-CB 3.21Å; N22-Q24 PolarHBondContact OD1-N 2.81Å; Q24-R28 WeakPolarHBondContact O-CG 3.26Å; Q24-R28 PolarHBondContact O-N 3.42Å
25V96.2Very high94.7Very high0 Ų036.7 Ų36.70%017%0.172CC..Hα-helixtrans-66.6-48.3175.2178.30000109.9L19 N22 P23 N27 R28 L29 A159 L162L19-V25 HydrophobicContact CD2-CG1 4.47Å; N22-V25 HydrophobicContact CB-CB 4.32Å; N22-V25 HydrophobicContact CB-CG2 3.87Å; N22-V25 WeakPolarHBondContact O-CB 3.46Å; N22-V25 PolarHBondContact O-N 2.79Å; P23-V25 VanDerWaalsContact C-N 3.34Å; P23-V25 PolarHBondContact O-N 2.86Å; V25-N27 PolarHBondContact O-N 3.06Å; V25-R28 PolarHBondContact O-N 3.18Å; V25-L29 PolarHBondContact O-N 2.7Å; V25-A159 HydrophobicContact CG1-CB 3.91Å; V25-A159 VanDerWaalsContact CG1-O 3.32Å; V25-A159 WeakPolarHBondContact CG1-O 3.29Å; V25-L162 HydrophobicContact CG2-CB 4.03Å
26F97.5Very high95.2Very high0 Ų036 Ų360%017%0.167CC..Hα-helixtrans-67.3-35.5-179.7-81.5-95.2000112.9L19 E20 N22 P23 R28 L29 I30 C41 L63 L110 F195 I251L19-F26 HydrophobicContact CD1-CZ 4.46Å; E20-F26 WeakPolarHBondContact O-CE2 3.36Å; N22-F26 WeakPolarHBondContact O-CD2 3.47Å; N22-F26 PolarHBondContact O-N 2.72Å; N22-F26 VanDerWaalsContact O-N 3.15Å; P23-F26 PolarHBondContact O-N 3.22Å; F26-R28 VanDerWaalsContact C-N 3.28Å; F26-R28 PolarHBondContact O-N 3.43Å; F26-L29 WeakPolarHBondContact O-CB 3.3Å; F26-L29 PolarHBondContact O-N 2.54Å; F26-L29 VanDerWaalsContact O-N 3.08Å; F26-I30 WeakPolarHBondContact O-CG1 3.45Å; F26-I30 PolarHBondContact O-N 2.8Å; F26-C41 HydrophobicContact CB-CB 4.29Å; F26-C41 VanDerWaalsContact CB-SG 3.51Å; F26-L63 HydrophobicContact CD1-CD1 3.66Å; F26-L63 HydrophobicContact CE1-CD1 3.46Å; F26-L63 VanDerWaalsContact CE1-CD1 3.46Å; F26-L63 HydrophobicContact CG-CD1 4.46Å; F26-L63 HydrophobicContact CZ-CD1 4.12Å; F26-L110 HydrophobicContact CD1-CD1 4.18Å; F26-L110 HydrophobicContact CD1-CD2 4.23Å; F26-F195 HydrophobicContact CE2-CE1 4.29Å; F26-F195 AromaticContact CE2-CZ 3.91Å; F26-F195 HydrophobicContact CE2-CZ 3.91Å; F26-F195 AromaticContact CZ-CE1 3.99Å; F26-F195 HydrophobicContact CZ-CE1 3.99Å; F26-F195 HydrophobicContact CZ-CE2 4.19Å; F26-F195 AromaticContact CZ-CZ 3.78Å; F26-F195 HydrophobicContact CZ-CZ 3.78Å; F26-I251 HydrophobicContact CD2-CD1 3.78Å; F26-I251 HydrophobicContact CE2-CD1 4.01Å; F26-I251 HydrophobicContact CG-CD1 4.44Å
27N96.5Very high95.2Very high21 Ų2141.2 Ų41.211%0.11219%0.192CC..Hα-helixtrans-57-42.3174-79.1-22.4000111.9P23 V25 L29 I30 W31 E40 C41P23-N27 VanDerWaalsContact O-CB 3.31Å; P23-N27 WeakPolarHBondContact O-CB 3.24Å; P23-N27 PolarHBondContact O-N 2.88Å; P23-N27 PolarHBondContact O-ND2 2.94Å; V25-N27 PolarHBondContact O-N 3.06Å; N27-L29 VanDerWaalsContact C-N 3.3Å; N27-L29 PolarHBondContact O-N 3.41Å; N27-I30 PolarHBondContact O-N 3.47Å; N27-W31 PolarHBondContact O-N 3.45Å; N27-E40 WeakPolarHBondContact OD1-CA 3.49Å; N27-C41 WeakPolarHBondContact OD1-CB 3.48Å; N27-C41 PolarHBondContact OD1-N 3.11Å
28R94.9Very high95.5Very high126 Ų12642.5 Ų42.548%0.47520%0.197SC..Hα-helixtrans-64.4-36.5177.4-66.8-72.5-170.5-106.1-0.7112.2Q24 V25 F26 K32 L162Q24-R28 WeakPolarHBondContact O-CG 3.26Å; Q24-R28 PolarHBondContact O-N 3.42Å; V25-R28 PolarHBondContact O-N 3.18Å; F26-R28 VanDerWaalsContact C-N 3.28Å; F26-R28 PolarHBondContact O-N 3.43Å; R28-K32 WeakPolarHBondContact O-CG 3.49Å; R28-L162 HydrophobicContact CB-CD1 3.83Å; R28-L162 HydrophobicContact CG-CD1 3.82Å
29L96.8Very high95.7Very high3 Ų341.1 Ų41.12%0.01619%0.187CC..Hα-helixtrans-69.6-47.9174.3-69.6172.1000111.5L19 V25 F26 N27 W31 K32 L33 M107 L110 L155 A159L19-L29 HydrophobicContact CD1-CD1 3.62Å; L19-L29 HydrophobicContact CD2-CD1 4.35Å; V25-L29 PolarHBondContact O-N 2.7Å; F26-L29 WeakPolarHBondContact O-CB 3.3Å; F26-L29 PolarHBondContact O-N 2.54Å; F26-L29 VanDerWaalsContact O-N 3.08Å; N27-L29 VanDerWaalsContact C-N 3.3Å; N27-L29 PolarHBondContact O-N 3.41Å; L29-W31 VanDerWaalsContact C-N 3.33Å; L29-W31 PolarHBondContact O-N 2.92Å; L29-K32 PolarHBondContact O-N 3.44Å; L29-K32 VanDerWaalsContact O-N 3.08Å; L29-L33 HydrophobicContact CB-CD1 4.31Å; L29-L33 WeakPolarHBondContact O-CB 3.25Å; L29-L33 VanDerWaalsContact O-CG 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.15Å; L29-L33 PolarHBondContact O-N 2.9Å; L29-M107 HydrophobicContact CD2-CE 3.98Å; L29-L110 HydrophobicContact CB-CD2 3.45Å; L29-L110 VanDerWaalsContact CB-CD2 3.45Å; L29-L110 HydrophobicContact CD1-CD2 4.06Å; L29-L110 HydrophobicContact CG-CD2 4.38Å; L29-L155 HydrophobicContact CD2-CB 4.05Å; L29-A159 HydrophobicContact CD1-CB 3.83Å; L29-A159 HydrophobicContact CD2-CB 3.61Å; L29-A159 HydrophobicContact CG-CB 3.7Å
30I96.7Very high95.8Very high0 Ų043.2 Ų43.20%020%0.197CC..Hα-helixtrans-56-47.4179.1-72.6175.6000111F26 N27 K32 L33 A34 L39 C41 L110 I253F26-I30 WeakPolarHBondContact O-CG1 3.45Å; F26-I30 PolarHBondContact O-N 2.8Å; N27-I30 PolarHBondContact O-N 3.47Å; I30-K32 PolarHBondContact O-N 3.35Å; I30-L33 PolarHBondContact O-N 2.91Å; I30-A34 HydrophobicContact CG2-CB 4.28Å; I30-A34 WeakPolarHBondContact O-CB 3.2Å; I30-A34 PolarHBondContact O-N 3.2Å; I30-L39 HydrophobicContact CG2-CB 3.54Å; I30-L39 HydrophobicContact CG2-CD1 4.26Å; I30-C41 WeakPolarHBondContact CD1-SG 3.27Å; I30-L110 HydrophobicContact CD1-CD1 4.13Å; I30-L110 HydrophobicContact CG1-CD1 3.7Å; I30-L110 HydrophobicContact CG1-CD2 4.37Å; I30-I253 HydrophobicContact CD1-CD1 4.14Å; I30-I253 HydrophobicContact CD1-CG1 4.38Å; I30-I253 HydrophobicContact CD1-CG2 4.02Å
31W94.1Very high95.9Very high93 Ų9341.9 Ų41.935%0.35219%0.191SC..Hα-helixtrans-62.2-30.6-179.6-62.8-9.7000112.9N27 L29 N35N27-W31 PolarHBondContact O-N 3.45Å; L29-W31 VanDerWaalsContact C-N 3.33Å; L29-W31 PolarHBondContact O-N 2.92Å; W31-N35 VanDerWaalsContact O-CA 3.27Å; W31-N35 WeakPolarHBondContact O-CA 3.28Å; W31-N35 PolarHBondContact O-N 2.91Å
32K94.7Very high96Very high139 Ų13943.5 Ų43.560%0.60420%0.195SC*.Hα-helixtrans-79.6-41174.6-68.4-63.5-175.5-177.20112.6R28 L29 I30 L155R28-K32 WeakPolarHBondContact O-CG 3.49Å; L29-K32 PolarHBondContact O-N 3.44Å; L29-K32 VanDerWaalsContact O-N 3.08Å; I30-K32 PolarHBondContact O-N 3.35Å; K32-L155 HydrophobicContact CB-CD1 4.2Å; K32-L155 HydrophobicContact CB-CD2 3.96Å; K32-L155 HydrophobicContact CG-CD2 3.91Å
33L97.4Very high96Very high0 Ų045.9 Ų45.90%021%0.207CC..Hα-helixtrans-81.1-44.2-172.4-69.6176000113L29 I30 M107 L110 L114 S125 F126 V127 L152 L155L29-L33 HydrophobicContact CB-CD1 4.31Å; L29-L33 WeakPolarHBondContact O-CB 3.25Å; L29-L33 VanDerWaalsContact O-CG 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.15Å; L29-L33 PolarHBondContact O-N 2.9Å; I30-L33 PolarHBondContact O-N 2.91Å; L33-M107 HydrophobicContact CD1-SD 3.79Å; L33-L110 HydrophobicContact CD1-CD2 3.55Å; L33-L110 HydrophobicContact CD1-CG 4.12Å; L33-L114 HydrophobicContact CB-CD1 3.76Å; L33-L114 HydrophobicContact CD1-CD1 4.38Å; L33-S125 PolarHBondContact O-OG 2.69Å; L33-F126 HydrophobicContact CD2-CB 4.12Å; L33-F126 HydrophobicContact CD2-CD1 3.76Å; L33-F126 HydrophobicContact CD2-CG 4.04Å; L33-F126 PolarHBondContact O-N 2.77Å; L33-V127 HydrophobicContact CB-CG2 3.85Å; L33-V127 PolarHBondContact O-N 2.59Å; L33-V127 VanDerWaalsContact O-N 3.1Å; L33-L152 HydrophobicContact CD2-CD2 3.6Å; L33-L155 HydrophobicContact CD2-CD1 3.9Å; L33-L155 HydrophobicContact CG-CD1 4.47Å
34A97.4Very high96Very high0 Ų046 Ų460%021%0.208CC..THydrogen-bonded Turntrans-95.7-19.5-178.300000113.4I30 N36 L39 L114 L121 R122I30-A34 HydrophobicContact CG2-CB 4.28Å; I30-A34 WeakPolarHBondContact O-CB 3.2Å; I30-A34 PolarHBondContact O-N 3.2Å; A34-N36 HydrophobicContact CB-CB 4.34Å; A34-N36 PolarHBondContact O-N 3.48Å; A34-L39 HydrophobicContact CB-CD1 4.06Å; A34-L114 HydrophobicContact CB-CD1 4.14Å; A34-L114 HydrophobicContact CB-CD2 3.9Å; A34-L121 HydrophobicContact CB-CD2 3.7Å; A34-R122 PolarHBondContact O-N 2.81Å
35N96.2Very high96Very high72 Ų7244.3 Ų44.339%0.38521%0.207SC..  trans52.331.8-171.1-171.232.8000112.8W31 R122 P124W31-N35 VanDerWaalsContact O-CA 3.27Å; W31-N35 WeakPolarHBondContact O-CA 3.28Å; W31-N35 PolarHBondContact O-N 2.91Å; N35-R122 WeakPolarHBondContact CB-O 3.18Å; N35-R122 WeakPolarHBondContact O-CB 3.38Å; N35-R122 WeakPolarHBondContact O-CD 3.34Å; N35-P124 WeakPolarHBondContact CB-O 3.39Å; N35-P124 PolarHBondContact ND2-O 3.02Å
36N94.7Very high95.8Very high7 Ų745.4 Ų45.44%0.03721%0.214CC..  trans-122.7110.3178.8-169.3-4.6000110.2A34 F38 L39 L120 R122A34-N36 HydrophobicContact CB-CB 4.34Å; A34-N36 PolarHBondContact O-N 3.48Å; N36-F38 VanDerWaalsContact C-N 3.25Å; N36-F38 PolarHBondContact O-N 3.41Å; N36-F38 WeakPolarHBondContact OD1-CB 3.24Å; N36-F38 PolarHBondContact OD1-N 3.25Å; N36-L39 HydrophobicContact CB-CD1 4.15Å; N36-L39 HydrophobicContact CB-CG 4.19Å; N36-L39 PolarHBondContact O-N 2.94Å; N36-L120 WeakPolarHBondContact CB-O 3.31Å; N36-L120 PolarHBondContact ND2-O 3.41Å; N36-R122 HydrophobicContact CB-CG 4.11Å; N36-R122 PolarHBondContact OD1-NE 3.37Å
37Q90.7Very high95.6Very high121 Ų12147.7 Ų47.757%0.56522%0.224SC*.THydrogen-bonded Turntrans-75.3-13.5177.268.7-173.22.400113.4L39Q37-L39 VanDerWaalsContact C-N 3.26Å
38F93.7Very high95.4Very high40 Ų4050.5 Ų50.518%0.17524%0.239CC..THydrogen-bonded Turntrans-87.73.6175-59.6-83.9000112.4N36 A255 M256 A257 E258N36-F38 VanDerWaalsContact C-N 3.25Å; N36-F38 PolarHBondContact O-N 3.41Å; N36-F38 WeakPolarHBondContact OD1-CB 3.24Å; N36-F38 PolarHBondContact OD1-N 3.25Å; F38-A255 WeakPolarHBondContact O-CA 3.39Å; F38-M256 HydrophobicContact CB-CB 4.25Å; F38-M256 HydrophobicContact CD1-CB 4.31Å; F38-M256 PolarHBondContact O-N 3.09Å; F38-A257 WeakPolarHBondContact CD1-O 3.42Å; F38-E258 HydrophobicContact CD1-CG 4.36Å; F38-E258 HydrophobicContact CD2-CG 4Å; F38-E258 VanDerWaalsContact CE1-CA 3.47Å; F38-E258 HydrophobicContact CE1-CB 4.29Å; F38-E258 HydrophobicContact CE1-CG 4.47Å; F38-E258 HydrophobicContact CE2-CB 4.39Å; F38-E258 HydrophobicContact CE2-CG 4.1Å; F38-E258 HydrophobicContact CG-CG 4.11Å; F38-E258 HydrophobicContact CZ-CB 4.15Å; F38-E258 HydrophobicContact CZ-CG 4.31Å
39L96.4Very high95.1Very high2 Ų249.1 Ų49.11%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-98.5118.7164.7-70.8178.6000108.8I30 A34 N36 Q37 V60 L114 L120 C254 A255I30-L39 HydrophobicContact CG2-CB 3.54Å; I30-L39 HydrophobicContact CG2-CD1 4.26Å; A34-L39 HydrophobicContact CB-CD1 4.06Å; N36-L39 HydrophobicContact CB-CD1 4.15Å; N36-L39 HydrophobicContact CB-CG 4.19Å; N36-L39 PolarHBondContact O-N 2.94Å; Q37-L39 VanDerWaalsContact C-N 3.26Å; L39-V60 HydrophobicContact CD2-CG2 4.38Å; L39-L114 HydrophobicContact CD1-CD2 3.85Å; L39-L120 HydrophobicContact CD1-CB 3.91Å; L39-L120 HydrophobicContact CD2-CB 4.08Å; L39-L120 HydrophobicContact CD2-CD1 3.76Å; L39-L120 HydrophobicContact CD2-CG 4.39Å; L39-L120 HydrophobicContact CG-CB 4.31Å; L39-C254 WeakPolarHBondContact CA-O 3.35Å; L39-A255 HydrophobicContact CD2-CB 4.11Å
40E96.4Very high94.9Very high57 Ų5757.1 Ų57.127%0.26628%0.284SS..EExtended strand (participates in β ladder)trans-134.4140.3-179.1-72.5-169.9158.600111.7N27 Y42 C254N27-E40 WeakPolarHBondContact OD1-CA 3.49Å; E40-Y42 HydrophobicContact CB-CD2 4.43Å; E40-Y42 HydrophobicContact CB-CE2 3.65Å; E40-Y42 PolarHBondContact OE2-OH 2.78Å; E40-C254 PolarHBondContact N-O 2.92Å; E40-C254 PolarHBondContact O-N 3.1Å
41C97.8Very high94.8Very high5 Ų561 Ų613%0.03431%0.305CS..EExtended strand (participates in β ladder)trans-84.6141.2171.4-70.40000110.7P23 F26 N27 I30 I251 A252P23-C41 HydrophobicContact CB-CB 3.72Å; P23-C41 WeakPolarHBondContact CB-O 3.38Å; F26-C41 HydrophobicContact CB-CB 4.29Å; F26-C41 VanDerWaalsContact CB-SG 3.51Å; N27-C41 WeakPolarHBondContact OD1-CB 3.48Å; N27-C41 PolarHBondContact OD1-N 3.11Å; I30-C41 WeakPolarHBondContact CD1-SG 3.27Å; C41-I251 HydrophobicContact CB-CG2 3.58Å; C41-A252 CarbonylContact C-O 3.59Å; C41-A252 WeakPolarHBondContact CA-O 3.35Å
42Y97.9Very high94.8Very high54 Ų5457.2 Ų57.221%0.21229%0.292CS..EExtended strand (participates in β ladder)trans-131.8143.2173-67.8-100.5000109.2E40 L55 P56 I251 A252 C254E40-Y42 HydrophobicContact CB-CD2 4.43Å; E40-Y42 HydrophobicContact CB-CE2 3.65Å; E40-Y42 PolarHBondContact OE2-OH 2.78Å; Y42-L55 HydrophobicContact CD1-CD2 4.42Å; Y42-L55 HydrophobicContact CG-CD2 3.91Å; Y42-P56 HydrophobicContact CD2-CG 4.26Å; Y42-P56 HydrophobicContact CE1-CG 4.42Å; Y42-P56 HydrophobicContact CE2-CG 3.68Å; Y42-I251 CarbonylContact O-C 3.59Å; Y42-I251 WeakPolarHBondContact O-CA 3.49Å; Y42-A252 PolarHBondContact N-O 2.7Å; Y42-A252 PolarHBondContact O-N 3Å; Y42-C254 HydrophobicContact CD2-CB 3.95Å; Y42-C254 HydrophobicContact CE2-CB 4Å
43D97.6Very high94.8Very high69 Ų6956.6 Ų56.637%0.36930%0.3SS..EExtended strand (participates in β ladder)trans-62.6145.7169.5-77.6-61.6000109.7P23 V45 Y54P23-D43 WeakPolarHBondContact CD-OD1 3.41Å; P23-D43 WeakPolarHBondContact CD-OD2 3.36Å; P23-D43 HydrophobicContact CG-CB 4.22Å; P23-D43 VanDerWaalsContact CG-CG 3.43Å; P23-D43 VanDerWaalsContact CG-N 3.35Å; P23-D43 WeakPolarHBondContact CG-OD1 3.48Å; P23-D43 WeakPolarHBondContact CG-OD2 3.34Å; D43-V45 HydrophobicContact CB-CG1 4.34Å; D43-Y54 WeakPolarHBondContact O-CE2 3.22Å; D43-Y54 PolarHBondContact O-OH 3.35Å
44I97.2Very high94.7Very high12 Ų1261.1 Ų61.16%0.06232%0.317CS..  trans-105.198.7166.5-58.8-176.8000106.6S46 F47 L52 V62 L228 L232 A250 A252I44-S46 VanDerWaalsContact C-N 3.35Å; I44-S46 VanDerWaalsContact CG2-O 3.28Å; I44-S46 WeakPolarHBondContact CG2-O 3.41Å; I44-F47 HydrophobicContact CG2-CD1 3.85Å; I44-F47 HydrophobicContact CG2-CE1 4.01Å; I44-L52 HydrophobicContact CG2-CD2 3.97Å; I44-V62 HydrophobicContact CD1-CG1 3.89Å; I44-V62 HydrophobicContact CD1-CG2 4.24Å; I44-L228 HydrophobicContact CD1-CD1 4.39Å; I44-L232 HydrophobicContact CD1-CD2 3.98Å; I44-L232 HydrophobicContact CG2-CD2 4.01Å; I44-A250 HydrophobicContact CB-CB 3.92Å; I44-A250 WeakPolarHBondContact CB-O 3.42Å; I44-A250 HydrophobicContact CD1-CB 4.06Å; I44-A250 HydrophobicContact CG1-CB 4.35Å; I44-A250 HydrophobicContact CG2-CB 4.38Å; I44-A250 PolarHBondContact N-O 2.85Å; I44-A252 HydrophobicContact CD1-CB 3.86Å; I44-A252 HydrophobicContact CG1-CB 3.84Å
45V94.2Very high94.6Very high110 Ų11062 Ų6267%0.66732%0.322SS*.  trans-79.7-18.9-173.2-60.20000113.7D43 Y54D43-V45 HydrophobicContact CB-CG1 4.34Å; V45-Y54 HydrophobicContact CG2-CE1 3.96Å; V45-Y54 PolarHBondContact N-OH 2.87Å
46S93.6Very high94.5Very high23 Ų2359.7 Ų59.716%0.16131%0.311CS..  trans-153.2152.6-178.7172.50000108.5I44 D48 D51 L52I44-S46 VanDerWaalsContact C-N 3.35Å; I44-S46 VanDerWaalsContact CG2-O 3.28Å; I44-S46 WeakPolarHBondContact CG2-O 3.41Å; S46-D48 VanDerWaalsContact C-N 3.31Å; S46-D48 WeakPolarHBondContact OG-CB 3.49Å; S46-D48 PolarHBondContact OG-N 2.8Å; S46-D51 WeakPolarHBondContact CB-OD2 3.39Å; S46-D51 PolarHBondContact OG-OD2 3.09Å; S46-L52 VanDerWaalsContact O-CD2 3.32Å; S46-L52 WeakPolarHBondContact O-CD2 3.49Å
47F92.9Very high94.1Very high48 Ų4865.6 Ų65.621%0.21135%0.353CS..SBendtrans-89.1-5.7172.4-63.4-18.8000112I44 L64 L232 C235 R236 A250I44-F47 HydrophobicContact CG2-CD1 3.85Å; I44-F47 HydrophobicContact CG2-CE1 4.01Å; F47-L64 HydrophobicContact CZ-CD1 4.37Å; F47-L232 HydrophobicContact CD1-CD2 3.61Å; F47-L232 HydrophobicContact CE1-CD2 3.87Å; F47-L232 HydrophobicContact CG-CD2 4.33Å; F47-C235 HydrophobicContact CD2-CB 4.46Å; F47-C235 HydrophobicContact CE1-CB 4.3Å; F47-C235 HydrophobicContact CE2-CB 3.76Å; F47-C235 HydrophobicContact CZ-CB 3.66Å; F47-R236 HydrophobicContact CB-CG 4.07Å; F47-R236 VanDerWaalsContact CB-CZ 3.41Å; F47-R236 HydrophobicContact CD2-CB 4.47Å; F47-R236 HydrophobicContact CD2-CG 3.53Å; F47-R236 HydrophobicContact CE2-CG 4.4Å; F47-R236 HydrophobicContact CG-CG 4.23Å; F47-R236 PolarHBondContact O-NH2 3.23Å; F47-A250 HydrophobicContact CE1-CB 3.94Å; F47-A250 HydrophobicContact CZ-CB 4.4Å
48D92.8Very high94.3Very high79 Ų7962.7 Ų62.742%0.42234%0.339SS..SBendtrans-77.7124.8-179.1-64.2-32.8000110.3S46 Q50 D51 R236S46-D48 VanDerWaalsContact C-N 3.31Å; S46-D48 WeakPolarHBondContact OG-CB 3.49Å; S46-D48 PolarHBondContact OG-N 2.8Å; D48-Q50 PolarHBondContact O-N 2.87Å; D48-D51 PolarHBondContact O-N 2.87Å; D48-R236 IonicContact OD1-CZ 2.72Å; D48-R236 IonicContact OD1-NH1 2.7Å; D48-R236 PolarHBondContact OD1-NH1 3.5Å; D48-R236 IonicContact OD1-NH2 3.69Å; D48-R236 PolarHBondContact OD1-NH2 2.83Å
49P88.4Confident94.5Very high98 Ų9861.4 Ų61.464%0.63634%0.335SS*.G310 helixtrans-57.2-27.9-173.1-28.534.9000115D51 L52P49-D51 VanDerWaalsContact C-N 3.25Å; P49-D51 PolarHBondContact O-N 2.83Å; P49-L52 PolarHBondContact O-N 3.18Å
50Q92.2Very high94.6Very high171 Ų17162 Ų6280%0.79934%0.338SS*.G310 helixtrans-67.4-28.9-179.4-61.2179.525.600112.2D48 L52D48-Q50 PolarHBondContact O-N 2.87Å; Q50-L52 VanDerWaalsContact C-N 3.32Å
51D94.6Very high94.7Very high81 Ų8159.3 Ų59.343%0.43333%0.325SS..G310 helixtrans-85.3-8.6-179.1-61.7-30.3000112.3S46 D48 P49 Y54S46-D51 WeakPolarHBondContact CB-OD2 3.39Å; S46-D51 PolarHBondContact OG-OD2 3.09Å; D48-D51 PolarHBondContact O-N 2.87Å; P49-D51 VanDerWaalsContact C-N 3.25Å; P49-D51 PolarHBondContact O-N 2.83Å; D51-Y54 VanDerWaalsContact O-CD1 3.23Å; D51-Y54 WeakPolarHBondContact O-CD1 3.38Å; D51-Y54 WeakPolarHBondContact O-CE1 3.42Å
52L95Very high94.7Very high14 Ų1459 Ų597%0.07332%0.324CS..G310 helixtrans-100.612.9-172.3-64.1177.8000114I44 S46 P49 Q50 Y54 L55 L228 L232I44-L52 HydrophobicContact CG2-CD2 3.97Å; S46-L52 VanDerWaalsContact O-CD2 3.32Å; S46-L52 WeakPolarHBondContact O-CD2 3.49Å; P49-L52 PolarHBondContact O-N 3.18Å; Q50-L52 VanDerWaalsContact C-N 3.32Å; L52-Y54 HydrophobicContact CD2-CE1 4.22Å; L52-Y54 PolarHBondContact O-N 2.89Å; L52-Y54 VanDerWaalsContact O-N 3.16Å; L52-L55 HydrophobicContact CB-CD1 4.25Å; L52-L55 HydrophobicContact CD2-CD1 3.96Å; L52-L55 WeakPolarHBondContact O-CB 3.33Å; L52-L55 PolarHBondContact O-N 3.33Å; L52-L55 VanDerWaalsContact O-N 3.08Å; L52-L228 HydrophobicContact CD1-CD2 4.24Å; L52-L232 HydrophobicContact CD1-CD1 3.27Å
53T93.8Very high94.8Very high126 Ų12656.5 Ų56.577%0.77331%0.314SS*.THydrogen-bonded Turntrans-66.6-14.4-177.8550000114.2
54Y94.9Very high94.8Very high95 Ų9553.2 Ų53.237%0.37330%0.296SS..THydrogen-bonded Turntrans-80.2-18.5174.466.7-92.1000113.3D43 V45 D51 L52D43-Y54 WeakPolarHBondContact O-CE2 3.22Å; D43-Y54 PolarHBondContact O-OH 3.35Å; V45-Y54 HydrophobicContact CG2-CE1 3.96Å; V45-Y54 PolarHBondContact N-OH 2.87Å; D51-Y54 VanDerWaalsContact O-CD1 3.23Å; D51-Y54 WeakPolarHBondContact O-CD1 3.38Å; D51-Y54 WeakPolarHBondContact O-CE1 3.42Å; L52-Y54 HydrophobicContact CD2-CE1 4.22Å; L52-Y54 PolarHBondContact O-N 2.89Å; L52-Y54 VanDerWaalsContact O-N 3.16Å
55L95.9Very high94.8Very high17 Ų1753.9 Ų53.99%0.08930%0.3CS..SBendtrans-70.3139.3179.7-69.1-179.8000110Y42 L52 L228 A252Y42-L55 HydrophobicContact CD1-CD2 4.42Å; Y42-L55 HydrophobicContact CG-CD2 3.91Å; L52-L55 HydrophobicContact CB-CD1 4.25Å; L52-L55 HydrophobicContact CD2-CD1 3.96Å; L52-L55 WeakPolarHBondContact O-CB 3.33Å; L52-L55 PolarHBondContact O-N 3.33Å; L52-L55 VanDerWaalsContact O-N 3.08Å; L55-L228 HydrophobicContact CD1-CD1 4.47Å; L55-L228 HydrophobicContact CD1-CD2 3.91Å; L55-A252 HydrophobicContact CD1-CB 4.08Å; L55-A252 HydrophobicContact CD2-CB 4.03Å
56P94.2Very high94.8Very high25 Ų2548.6 Ų48.616%0.16227%0.268CS..  trans-53.8150.6167.8-23.731.9000111.9Y42 E58 C254 M256Y42-P56 HydrophobicContact CD2-CG 4.26Å; Y42-P56 HydrophobicContact CE1-CG 4.42Å; Y42-P56 HydrophobicContact CE2-CG 3.68Å; P56-E58 PolarHBondContact O-N 3.03Å; P56-E58 VanDerWaalsContact O-N 3.15Å; P56-C254 HydrophobicContact CB-CB 3.88Å; P56-C254 HydrophobicContact CG-CB 3.7Å; P56-M256 HydrophobicContact CB-SD 3.59Å; P56-M256 VanDerWaalsContact CB-SD 3.59Å; P56-M256 HydrophobicContact CG-CE 4.22Å; P56-M256 HydrophobicContact CG-SD 3.24Å; P56-M256 WeakPolarHBondContact CG-SD 3.22Å
57S86.5Confident94.8Very high131 Ų13147.6 Ų47.692%0.91626%0.261SS*.SBendtrans-64.8-22.8-172.8560000114.5
58E94.8Very high94.7Very high60 Ų6046.8 Ų46.828%0.2826%0.26SS..EExtended strand (participates in β ladder)trans-109.388-177.8-176.4164.3179.200110.9P56 V60 K224 C254 A255P56-E58 PolarHBondContact O-N 3.03Å; P56-E58 VanDerWaalsContact O-N 3.15Å; E58-V60 HydrophobicContact CG-CG1 3.85Å; E58-K224 WeakPolarHBondContact OE1-CE 3.35Å; E58-K224 IonicContact OE1-NZ 3.49Å; E58-K224 PolarHBondContact OE1-NZ 3.35Å; E58-K224 VanDerWaalsContact OE2-CE 3.25Å; E58-K224 WeakPolarHBondContact OE2-CE 3.5Å; E58-K224 IonicContact OE2-NZ 2.6Å; E58-K224 PolarHBondContact OE2-NZ 3.18Å; E58-C254 CarbonylContact O-C 3.45Å; E58-C254 VanDerWaalsContact O-CA 3.26Å; E58-C254 WeakPolarHBondContact O-CA 2.94Å; E58-A255 HydrophobicContact CB-CB 4.34Å; E58-A255 HydrophobicContact CG-CB 3.94Å; E58-A255 PolarHBondContact O-N 3.12Å
59V97.5Very high94.5Very high13 Ų1344.8 Ų44.88%0.07925%0.25CS..EExtended strand (participates in β ladder)trans-85.1126.4167.7-170.40000109A61 V62 F227 L228 A252V59-A61 WeakPolarHBondContact CG1-O 3.44Å; V59-V62 HydrophobicContact CG1-CG2 4.2Å; V59-F227 HydrophobicContact CB-CD1 4.32Å; V59-F227 HydrophobicContact CB-CE1 4.48Å; V59-F227 HydrophobicContact CG1-CD1 4.33Å; V59-F227 HydrophobicContact CG1-CE1 4.01Å; V59-F227 WeakPolarHBondContact O-CD1 3.2Å; V59-L228 HydrophobicContact CB-CB 4.42Å; V59-L228 HydrophobicContact CG1-CD1 4.27Å; V59-L228 HydrophobicContact CG2-CB 4.35Å; V59-L228 HydrophobicContact CG2-CD1 4.27Å; V59-L228 HydrophobicContact CG2-CD2 4.05Å; V59-L228 HydrophobicContact CG2-CG 4.45Å; V59-A252 HydrophobicContact CG1-CB 3.93Å
60V97.9Very high94.5Very high14 Ų1447.6 Ų47.69%0.08526%0.255CS..EExtended strand (participates in β ladder)trans-110.7-20-173.2-58.90000113.4L39 E58 N117 L120 I253 A255L39-V60 HydrophobicContact CD2-CG2 4.38Å; E58-V60 HydrophobicContact CG-CG1 3.85Å; V60-N117 PolarHBondContact O-ND2 3.05Å; V60-L120 HydrophobicContact CB-CD1 4.06Å; V60-L120 HydrophobicContact CG1-CD1 3.72Å; V60-L120 HydrophobicContact CG2-CD1 3.98Å; V60-I253 HydrophobicContact CG2-CB 4.21Å; V60-I253 HydrophobicContact CG2-CG2 3.86Å; V60-I253 WeakPolarHBondContact CG2-O 2.86Å; V60-I253 PolarHBondContact N-O 2.87Å; V60-A255 HydrophobicContact CG1-CB 4.08Å
61A98.7Very high94.4Very high0 Ų044.4 Ų44.40%024%0.238CC..EExtended strand (participates in β ladder)trans-154.6154.2171.500000110.6V59 A113 F198 V199 I253V59-A61 WeakPolarHBondContact CG1-O 3.44Å; A61-A113 HydrophobicContact CB-CB 3.56Å; A61-F198 VanDerWaalsContact CA-O 3.28Å; A61-F198 WeakPolarHBondContact CA-O 3.28Å; A61-V199 HydrophobicContact CB-CG1 4.07Å; A61-I253 HydrophobicContact CB-CB 4.23Å; A61-I253 HydrophobicContact CB-CD1 4.23Å; A61-I253 HydrophobicContact CB-CG1 4.42Å; A61-I253 PolarHBondContact N-O 2.88Å; A61-I253 PolarHBondContact O-N 2.93Å
62V98.7Very high94.1Very high0 Ų040.6 Ų40.60%022%0.218CC..EExtended strand (participates in β ladder)trans-121.3125.7168.9174.90000108.3I44 V59 C197 F198 F227 L228 A231 I251I44-V62 HydrophobicContact CD1-CG1 3.89Å; I44-V62 HydrophobicContact CD1-CG2 4.24Å; V59-V62 HydrophobicContact CG1-CG2 4.2Å; V62-C197 CarbonylContact O-C 3.5Å; V62-C197 WeakPolarHBondContact O-CA 3.3Å; V62-F198 HydrophobicContact CB-CB 4.26Å; V62-F198 PolarHBondContact N-O 3.12Å; V62-F198 VanDerWaalsContact N-O 3.09Å; V62-F198 PolarHBondContact O-N 3.19Å; V62-F227 HydrophobicContact CG2-CE1 4.16Å; V62-F227 HydrophobicContact CG2-CZ 4.41Å; V62-L228 HydrophobicContact CG2-CD1 4.07Å; V62-A231 HydrophobicContact CB-CB 4.34Å; V62-A231 HydrophobicContact CG2-CB 4.06Å; V62-I251 CarbonylContact C-O 3.47Å; V62-I251 WeakPolarHBondContact CA-O 3.12Å
63L98.7Very high93.8Very high0 Ų043.1 Ų43.10%023%0.229CC..EExtended strand (participates in β ladder)trans-97.1128.8171.2-49.1-175000108.2F26 A109 A113 F195 V196 C197 A250 I251 I253F26-L63 HydrophobicContact CD1-CD1 3.66Å; F26-L63 HydrophobicContact CE1-CD1 3.46Å; F26-L63 VanDerWaalsContact CE1-CD1 3.46Å; F26-L63 HydrophobicContact CG-CD1 4.46Å; F26-L63 HydrophobicContact CZ-CD1 4.12Å; L63-A109 HydrophobicContact CD2-CB 4.11Å; L63-A113 HydrophobicContact CD2-CB 4.38Å; L63-F195 HydrophobicContact CB-CD1 4.43Å; L63-V196 WeakPolarHBondContact CA-O 3.36Å; L63-C197 HydrophobicContact CD2-CB 3.98Å; L63-A250 CarbonylContact O-C 3.59Å; L63-A250 WeakPolarHBondContact O-CA 3.42Å; L63-I251 HydrophobicContact CB-CB 4.32Å; L63-I251 PolarHBondContact N-O 2.87Å; L63-I251 PolarHBondContact O-N 3.25Å; L63-I253 HydrophobicContact CD1-CD1 4.23Å; L63-I253 HydrophobicContact CD2-CD1 4.33Å; L63-I253 HydrophobicContact CG-CD1 4.25Å
64L98.1Very high93.5Very high0 Ų043.6 Ų43.60%022%0.221CC..EExtended strand (participates in β ladder)trans-116.2122.2175.4179.871.2000109F47 F66 F195 V196 F198 C235 F238 A250F47-L64 HydrophobicContact CZ-CD1 4.37Å; L64-F66 HydrophobicContact CD2-CD1 4.25Å; L64-F66 HydrophobicContact CG-CD1 4.23Å; L64-F195 CarbonylContact O-C 3.57Å; L64-F195 VanDerWaalsContact O-CA 3.32Å; L64-F195 WeakPolarHBondContact O-CA 3.47Å; L64-V196 HydrophobicContact CB-CG2 3.93Å; L64-V196 HydrophobicContact CD2-CG2 4.4Å; L64-V196 PolarHBondContact N-O 2.94Å; L64-V196 PolarHBondContact O-N 3.19Å; L64-F198 HydrophobicContact CB-CE2 4.18Å; L64-F198 HydrophobicContact CD2-CE2 4.31Å; L64-C235 HydrophobicContact CD1-CB 4.26Å; L64-C235 HydrophobicContact CD2-CB 4.22Å; L64-F238 HydrophobicContact CD2-CB 4.07Å; L64-F238 HydrophobicContact CD2-CD1 3.66Å; L64-F238 HydrophobicContact CD2-CD2 3.52Å; L64-F238 HydrophobicContact CD2-CE1 3.9Å; L64-F238 HydrophobicContact CD2-CE2 3.78Å; L64-F238 HydrophobicContact CD2-CG 3.46Å; L64-F238 VanDerWaalsContact CD2-CG 3.46Å; L64-F238 HydrophobicContact CD2-CZ 3.96Å; L64-A250 HydrophobicContact CD1-CB 4.11Å
65L97.3Very high93Very high26 Ų2640.8 Ų40.814%0.13621%0.213CC..EExtended strand (participates in β ladder)trans-94.1131.5165.4-172.669.1000109H193 H194 F195 Y248 N249L65-H193 HydrophobicContact CD1-CB 3.65Å; L65-H193 HydrophobicContact CD2-CB 4.22Å; L65-H193 HydrophobicContact CG-CB 3.99Å; L65-H194 WeakPolarHBondContact CA-O 3.42Å; L65-F195 HydrophobicContact CB-CD1 4Å; L65-F195 HydrophobicContact CB-CE1 3.73Å; L65-F195 HydrophobicContact CB-CZ 4.14Å; L65-F195 HydrophobicContact CD1-CD1 4.07Å; L65-F195 HydrophobicContact CD1-CD2 3.66Å; L65-F195 HydrophobicContact CD1-CE1 4.04Å; L65-F195 HydrophobicContact CD1-CE2 3.62Å; L65-F195 HydrophobicContact CD1-CG 3.9Å; L65-F195 HydrophobicContact CD1-CZ 3.82Å; L65-F195 HydrophobicContact CD2-CZ 4.33Å; L65-F195 HydrophobicContact CG-CE1 4.37Å; L65-F195 HydrophobicContact CG-CZ 4.32Å; L65-Y248 VanDerWaalsContact O-CA 3.31Å; L65-Y248 WeakPolarHBondContact O-CA 3.12Å; L65-N249 HydrophobicContact CB-CB 4.27Å; L65-N249 PolarHBondContact N-O 3.22Å; L65-N249 PolarHBondContact O-N 3.3Å
66F95.1Very high92.5Very high0 Ų040.2 Ų40.20%021%0.211CC..EExtended strand (participates in β ladder)trans-147.3159.5178.261.4-86.6000112.1L64 V68 Y72 H193 H194 V196 F238 Y248L64-F66 HydrophobicContact CD2-CD1 4.25Å; L64-F66 HydrophobicContact CG-CD1 4.23Å; F66-V68 HydrophobicContact CE2-CG2 4.23Å; F66-Y72 HydrophobicContact CD2-CD2 4.33Å; F66-Y72 HydrophobicContact CD2-CE2 4.29Å; F66-Y72 AromaticContact CE2-CD1 3.93Å; F66-Y72 HydrophobicContact CE2-CD1 3.93Å; F66-Y72 AromaticContact CE2-CD2 3.72Å; F66-Y72 HydrophobicContact CE2-CD2 3.72Å; F66-Y72 AromaticContact CE2-CE1 3.61Å; F66-Y72 HydrophobicContact CE2-CE1 3.61Å; F66-Y72 AromaticContact CE2-CE2 3.38Å; F66-Y72 HydrophobicContact CE2-CE2 3.38Å; F66-Y72 AromaticContact CE2-CG 3.99Å; F66-Y72 HydrophobicContact CE2-CG 3.99Å; F66-Y72 AromaticContact CE2-CZ 3.33Å; F66-Y72 HydrophobicContact CZ-CD2 4.48Å; F66-Y72 AromaticContact CZ-CE1 3.97Å; F66-Y72 HydrophobicContact CZ-CE1 3.97Å; F66-Y72 AromaticContact CZ-CE2 3.71Å; F66-Y72 HydrophobicContact CZ-CE2 3.71Å; F66-Y72 AromaticContact CZ-CZ 3.41Å; F66-Y72 VanDerWaalsContact CZ-CZ 3.41Å; F66-Y72 WeakPolarHBondContact CZ-OH 3.49Å; F66-H193 CarbonylContact O-C 3.6Å; F66-H193 VanDerWaalsContact O-CA 3.28Å; F66-H193 WeakPolarHBondContact O-CA 3.5Å; F66-H194 VanDerWaalsContact CD1-O 3.3Å; F66-H194 WeakPolarHBondContact CD1-O 3.41Å; F66-H194 WeakPolarHBondContact CE1-O 3.38Å; F66-H194 HydrophobicContact CE2-CB 4.48Å; F66-H194 HydrophobicContact CZ-CB 4.25Å; F66-H194 AromaticContact CZ-CD2 3.77Å; F66-H194 PolarHBondContact N-O 3.28Å; F66-H194 VanDerWaalsContact N-O 3.07Å; F66-H194 PolarHBondContact O-N 3.41Å; F66-V196 HydrophobicContact CD1-CG2 4.31Å; F66-V196 HydrophobicContact CE1-CB 4.23Å; F66-V196 HydrophobicContact CE1-CG1 3.61Å; F66-V196 HydrophobicContact CE1-CG2 3.74Å; F66-V196 HydrophobicContact CZ-CG1 4.03Å; F66-F238 HydrophobicContact CB-CD1 4.21Å; F66-F238 AromaticContact CD1-CD1 3.71Å; F66-F238 HydrophobicContact CD1-CD1 3.71Å; F66-F238 AromaticContact CD1-CE1 3.66Å; F66-F238 HydrophobicContact CD1-CE1 3.66Å; F66-F238 AromaticContact CD2-CD1 3.95Å; F66-F238 HydrophobicContact CD2-CD1 3.95Å; F66-F238 HydrophobicContact CD2-CE1 4.24Å; F66-F238 AromaticContact CE1-CD1 3.98Å; F66-F238 HydrophobicContact CE1-CD1 3.98Å; F66-F238 AromaticContact CE1-CE1 3.45Å; F66-F238 HydrophobicContact CE1-CE1 3.45Å; F66-F238 VanDerWaalsContact CE1-CE1 3.45Å; F66-F238 HydrophobicContact CE1-CZ 4.44Å; F66-F238 HydrophobicContact CE2-CD1 4.23Å; F66-F238 HydrophobicContact CE2-CE1 4.08Å; F66-F238 AromaticContact CG-CD1 3.7Å; F66-F238 HydrophobicContact CG-CD1 3.7Å; F66-F238 HydrophobicContact CG-CE1 4.05Å; F66-F238 HydrophobicContact CZ-CD1 4.23Å; F66-F238 AromaticContact CZ-CE1 3.68Å; F66-F238 HydrophobicContact CZ-CE1 3.68Å; F66-Y248 HydrophobicContact CB-CD1 3.32Å; F66-Y248 HydrophobicContact CB-CE1 3.22Å; F66-Y248 HydrophobicContact CB-CG 4.47Å; F66-Y248 HydrophobicContact CG-CE1 4.39Å
67P93.1Very high91.9Very high1 Ų143.1 Ų43.11%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-78.6131.2174.830.7-26.5000110.1T69 F192 C242 D245 N247 Y248P67-T69 PolarHBondContact O-N 2.79Å; P67-F192 CarbonylContact C-O 3.55Å; P67-F192 WeakPolarHBondContact CA-O 3.17Å; P67-F192 HydrophobicContact CB-CD2 4.14Å; P67-C242 HydrophobicContact CG-CB 4.44Å; P67-C242 WeakPolarHBondContact O-CB 3.47Å; P67-C242 PolarHBondContact O-SG 2.79Å; P67-D245 HydrophobicContact CG-CB 3.63Å; P67-N247 WeakPolarHBondContact CD-O 3.44Å; P67-Y248 HydrophobicContact CG-CE2 4.35Å
68V91Very high91.7Very high31 Ų3142.9 Ų42.919%0.18822%0.215CC..  trans-82.5106.3172.1178.50000107.6F66 Y72 E73 F192 H194F66-V68 HydrophobicContact CE2-CG2 4.23Å; V68-Y72 HydrophobicContact CG1-CD1 4.11Å; V68-E73 HydrophobicContact CG1-CG 3.95Å; V68-E73 WeakPolarHBondContact CG1-OE1 3.49Å; V68-F192 WeakPolarHBondContact CB-O 3.34Å; V68-F192 PolarHBondContact N-O 3.23Å; V68-H194 HydrophobicContact CG2-CB 3.4Å
69T89Confident91Very high37 Ų3742 Ų4223%0.22721%0.212CC..  trans-106.7164.2175.267.20000110.8P67 K71 Y72 E73 C242P67-T69 PolarHBondContact O-N 2.79Å; T69-K71 PolarHBondContact O-N 3.22Å; T69-Y72 WeakPolarHBondContact O-CB 3.38Å; T69-Y72 PolarHBondContact O-N 3.23Å; T69-Y72 PolarHBondContact OG1-N 3.12Å; T69-E73 PolarHBondContact O-N 2.9Å; T69-C242 HydrophobicContact CG2-CB 4.13Å; T69-C242 WeakPolarHBondContact CG2-O 3.49Å; T69-C242 WeakPolarHBondContact OG1-CA 3.16Å; T69-C242 PolarHBondContact OG1-O 2.9Å
70E88Confident90.3Very high157 Ų15742.6 Ų42.673%0.73421%0.214SC*.Hα-helixtrans-56.4-33173.6-65.8-174.3178.400112.4K74E70-K74 WeakPolarHBondContact O-CG 3.27Å; E70-K74 PolarHBondContact O-N 2.94Å
71K89Confident89.3Confident104 Ų10445 Ų4545%0.45223%0.234SC..Hα-helixtrans-63.9-46.9174.6-167.9-173.9-175.3-172.30110.6T69 E73 K74 T75 Q240 R241T69-K71 PolarHBondContact O-N 3.22Å; K71-E73 PolarHBondContact O-N 3.02Å; K71-K74 PolarHBondContact O-N 3.29Å; K71-T75 PolarHBondContact O-N 3.49Å; K71-T75 PolarHBondContact O-OG1 2.81Å; K71-T75 VanDerWaalsContact O-OG1 3.12Å; K71-Q240 VanDerWaalsContact CE-O 3.31Å; K71-Q240 WeakPolarHBondContact CE-O 3.29Å; K71-Q240 PolarHBondContact NZ-O 2.82Å; K71-R241 CarbonylContact C-O 3.58Å; K71-R241 WeakPolarHBondContact CG-O 3.2Å
72Y89.4Confident88.2Confident2 Ų249.5 Ų49.51%0.00827%0.265CS..Hα-helixtrans-59.1-46.2177.1174.1-95.7000111.7F66 V68 T69 K74 T75 C76 D210 K213 F238 R241F66-Y72 HydrophobicContact CD2-CD2 4.33Å; F66-Y72 HydrophobicContact CD2-CE2 4.29Å; F66-Y72 AromaticContact CE2-CD1 3.93Å; F66-Y72 HydrophobicContact CE2-CD1 3.93Å; F66-Y72 AromaticContact CE2-CD2 3.72Å; F66-Y72 HydrophobicContact CE2-CD2 3.72Å; F66-Y72 AromaticContact CE2-CE1 3.61Å; F66-Y72 HydrophobicContact CE2-CE1 3.61Å; F66-Y72 AromaticContact CE2-CE2 3.38Å; F66-Y72 HydrophobicContact CE2-CE2 3.38Å; F66-Y72 AromaticContact CE2-CG 3.99Å; F66-Y72 HydrophobicContact CE2-CG 3.99Å; F66-Y72 AromaticContact CE2-CZ 3.33Å; F66-Y72 HydrophobicContact CZ-CD2 4.48Å; F66-Y72 AromaticContact CZ-CE1 3.97Å; F66-Y72 HydrophobicContact CZ-CE1 3.97Å; F66-Y72 AromaticContact CZ-CE2 3.71Å; F66-Y72 HydrophobicContact CZ-CE2 3.71Å; F66-Y72 AromaticContact CZ-CZ 3.41Å; F66-Y72 VanDerWaalsContact CZ-CZ 3.41Å; F66-Y72 WeakPolarHBondContact CZ-OH 3.49Å; V68-Y72 HydrophobicContact CG1-CD1 4.11Å; T69-Y72 WeakPolarHBondContact O-CB 3.38Å; T69-Y72 PolarHBondContact O-N 3.23Å; T69-Y72 PolarHBondContact OG1-N 3.12Å; Y72-K74 VanDerWaalsContact C-N 3.31Å; Y72-K74 PolarHBondContact O-N 3.36Å; Y72-T75 PolarHBondContact O-N 3.01Å; Y72-C76 HydrophobicContact CE1-CB 4.33Å; Y72-C76 VanDerWaalsContact O-CB 3.24Å; Y72-C76 WeakPolarHBondContact O-CB 3.46Å; Y72-C76 PolarHBondContact O-N 3.17Å; Y72-D210 PolarHBondContact OH-OD2 3.35Å; Y72-K213 WeakPolarHBondContact OH-CE 3.46Å; Y72-F238 HydrophobicContact CE2-CD1 4.42Å; Y72-F238 AromaticContact CE2-CE1 4Å; Y72-F238 HydrophobicContact CE2-CE1 4Å; Y72-R241 WeakPolarHBondContact CA-O 3.48Å; Y72-R241 HydrophobicContact CD2-CB 4.41Å; Y72-R241 PolarHBondContact N-O 3.34Å
73E88.5Confident86.9Confident66 Ų6650.3 Ų50.331%0.30827%0.271SS..Hα-helixtrans-59.7-40.5179.8-69.9-69.2174.900112.2V68 T69 K71 C77 R212V68-E73 HydrophobicContact CG1-CG 3.95Å; V68-E73 WeakPolarHBondContact CG1-OE1 3.49Å; T69-E73 PolarHBondContact O-N 2.9Å; K71-E73 PolarHBondContact O-N 3.02Å; E73-C77 PolarHBondContact O-N 3.09Å; E73-C77 PolarHBondContact O-SG 3Å; E73-R212 IonicContact OE1-CZ 2.7Å; E73-R212 VanDerWaalsContact OE1-CZ 3.22Å; E73-R212 IonicContact OE1-NH1 3.96Å; E73-R212 PolarHBondContact OE1-NH1 3.26Å; E73-R212 IonicContact OE1-NH2 3.83Å; E73-R212 PolarHBondContact OE1-NH2 3.45Å; E73-R212 IonicContact OE2-NH2 3.3Å
74K87Confident85.6Confident137 Ų13755.4 Ų55.460%0.59630%0.298SS*.Hα-helixtrans-65.8-50.4175-71.9174.8-175.9171.30111.9E70 K71 Y72 C76 C77 E78E70-K74 WeakPolarHBondContact O-CG 3.27Å; E70-K74 PolarHBondContact O-N 2.94Å; K71-K74 PolarHBondContact O-N 3.29Å; Y72-K74 VanDerWaalsContact C-N 3.31Å; Y72-K74 PolarHBondContact O-N 3.36Å; K74-C76 PolarHBondContact O-N 3.34Å; K74-C77 WeakPolarHBondContact O-CB 3.39Å; K74-C77 PolarHBondContact O-N 2.83Å; K74-E78 PolarHBondContact O-N 3.42Å
75T85Confident84Confident35 Ų3559.9 Ų59.922%0.21533%0.334CS..Hα-helixtrans-62.6-34.3179-54.80000111.6K71 Y72 E78 M79 R241K71-T75 PolarHBondContact O-N 3.49Å; K71-T75 PolarHBondContact O-OG1 2.81Å; K71-T75 VanDerWaalsContact O-OG1 3.12Å; Y72-T75 PolarHBondContact O-N 3.01Å; T75-E78 PolarHBondContact O-N 3.33Å; T75-M79 HydrophobicContact CG2-CE 4.03Å; T75-M79 HydrophobicContact CG2-CG 4.31Å; T75-M79 HydrophobicContact CG2-SD 4.26Å; T75-M79 WeakPolarHBondContact O-CB 3.36Å; T75-M79 VanDerWaalsContact O-CG 3.3Å; T75-M79 WeakPolarHBondContact O-CG 3.12Å; T75-M79 PolarHBondContact O-N 3.49Å; T75-R241 HydrophobicContact CG2-CG 4.31Å
76C85Confident82.3Confident6 Ų661.9 Ų61.94%0.04136%0.361CS..Hα-helixtrans-61.4-48.4175.4-173.90000111.9Y72 K74 E78 M79 Q80 K213Y72-C76 HydrophobicContact CE1-CB 4.33Å; Y72-C76 VanDerWaalsContact O-CB 3.24Å; Y72-C76 WeakPolarHBondContact O-CB 3.46Å; Y72-C76 PolarHBondContact O-N 3.17Å; K74-C76 PolarHBondContact O-N 3.34Å; C76-E78 VanDerWaalsContact C-N 3.3Å; C76-E78 PolarHBondContact O-N 3.15Å; C76-M79 PolarHBondContact O-N 3.35Å; C76-Q80 WeakPolarHBondContact O-CG 3.31Å; C76-Q80 PolarHBondContact O-N 3.36Å; C76-Q80 PolarHBondContact O-OE1 2.94Å; C76-Q80 PolarHBondContact SG-OE1 3.03Å; C76-K213 WeakPolarHBondContact SG-CE 3.23Å
77C80.9Confident80.9Confident85 Ų8564.5 Ų64.557%0.57437%0.373SS*.Hα-helixtrans-56.1-44.5176.4-68.50000112E73 K74 A81E73-C77 PolarHBondContact O-N 3.09Å; E73-C77 PolarHBondContact O-SG 3Å; K74-C77 WeakPolarHBondContact O-CB 3.39Å; K74-C77 PolarHBondContact O-N 2.83Å; C77-A81 PolarHBondContact O-N 3.42Å
78E82.9Confident79.6Confident127 Ų12768.7 Ų68.759%0.59340%0.403SS*.Hα-helixtrans-65.6-47.5179-67.9170.4176.300112K74 T75 C76 Q80 A81 C82K74-E78 PolarHBondContact O-N 3.42Å; T75-E78 PolarHBondContact O-N 3.33Å; C76-E78 VanDerWaalsContact C-N 3.3Å; C76-E78 PolarHBondContact O-N 3.15Å; E78-Q80 VanDerWaalsContact C-N 3.33Å; E78-Q80 PolarHBondContact O-N 2.96Å; E78-A81 PolarHBondContact O-N 3.08Å; E78-C82 PolarHBondContact O-N 2.79Å
79M81Confident79.3Confident42 Ų4275.8 Ų75.821%0.20743%0.434CS..Hα-helixtrans-60.4-41.4179-73.8-174.2-61.800112.1T75 C76 C82 S83 L217T75-M79 HydrophobicContact CG2-CE 4.03Å; T75-M79 HydrophobicContact CG2-CG 4.31Å; T75-M79 HydrophobicContact CG2-SD 4.26Å; T75-M79 WeakPolarHBondContact O-CB 3.36Å; T75-M79 VanDerWaalsContact O-CG 3.3Å; T75-M79 WeakPolarHBondContact O-CG 3.12Å; T75-M79 PolarHBondContact O-N 3.49Å; C76-M79 PolarHBondContact O-N 3.35Å; M79-C82 PolarHBondContact O-N 3.21Å; M79-S83 VanDerWaalsContact O-CB 3.23Å; M79-S83 WeakPolarHBondContact O-CB 3.41Å; M79-S83 PolarHBondContact O-N 2.61Å; M79-L217 HydrophobicContact CB-CD1 4.49Å
80Q81.1Confident79.4Confident25 Ų2576.9 Ų76.912%0.11744%0.436CS..Hα-helixtrans-66.3-40.8178.4-71.8175.9-88.800112C76 E78 S83 L84 K213 T214 L217C76-Q80 WeakPolarHBondContact O-CG 3.31Å; C76-Q80 PolarHBondContact O-N 3.36Å; C76-Q80 PolarHBondContact O-OE1 2.94Å; C76-Q80 PolarHBondContact SG-OE1 3.03Å; E78-Q80 VanDerWaalsContact C-N 3.33Å; E78-Q80 PolarHBondContact O-N 2.96Å; Q80-S83 PolarHBondContact O-N 3.47Å; Q80-L84 WeakPolarHBondContact O-CG 3.42Å; Q80-L84 PolarHBondContact O-N 3.2Å; Q80-L84 VanDerWaalsContact O-N 3.1Å; Q80-K213 HydrophobicContact CG-CB 4.48Å; Q80-K213 HydrophobicContact CG-CD 4.32Å; Q80-K213 HydrophobicContact CG-CG 4.33Å; Q80-T214 PolarHBondContact NE2-OG1 2.84Å; Q80-L217 HydrophobicContact CG-CD2 4.47Å
81A77.7Confident79.7Confident63 Ų6370.5 Ų70.552%0.52141%0.408SS..Hα-helixtrans-62.2-43.4176.800000111.8C77 E78 A85C77-A81 PolarHBondContact O-N 3.42Å; E78-A81 PolarHBondContact O-N 3.08Å; A81-A85 PolarHBondContact O-N 3.21Å
82C75.1Confident79.9Confident96 Ų9675.2 Ų75.265%0.64943%0.428SS*.Hα-helixtrans-68.5-41176.4-69.20000112.8E78 M79 L84 A85 G86E78-C82 PolarHBondContact O-N 2.79Å; M79-C82 PolarHBondContact O-N 3.21Å; C82-L84 PolarHBondContact O-N 3.13Å; C82-A85 PolarHBondContact O-N 3.41Å; C82-G86 PolarHBondContact O-N 3.11Å
83S72.6Confident80.2Confident17 Ų1780.1 Ų80.112%0.11946%0.455CS..Hα-helixtrans-61-45-179.3-170.20000111.6M79 Q80 A85 G86 Q87M79-S83 VanDerWaalsContact O-CB 3.23Å; M79-S83 WeakPolarHBondContact O-CB 3.41Å; M79-S83 PolarHBondContact O-N 2.61Å; Q80-S83 PolarHBondContact O-N 3.47Å; S83-A85 VanDerWaalsContact C-N 3.29Å; S83-A85 PolarHBondContact O-N 2.85Å; S83-G86 PolarHBondContact O-N 2.78Å; S83-Q87 WeakPolarHBondContact O-CB 3.45Å; S83-Q87 PolarHBondContact O-N 3.06Å; S83-Q87 PolarHBondContact OG-NE2 3.46Å; S83-Q87 PolarHBondContact OG-OE1 2.78Å
84L70.8Confident80.6Confident107 Ų10777.8 Ų77.856%0.5644%0.444SS*.Hα-helixtrans-65.9-30.2179-71.7167.5000113Q80 C82Q80-L84 WeakPolarHBondContact O-CG 3.42Å; Q80-L84 PolarHBondContact O-N 3.2Å; Q80-L84 VanDerWaalsContact O-N 3.1Å; C82-L84 PolarHBondContact O-N 3.13Å
85A65Low81.1Confident93 Ų9371.6 Ų71.677%0.76942%0.417SS*.Hα-helixtrans-75.7-24.4-18000000113.4A81 C82 S83A81-A85 PolarHBondContact O-N 3.21Å; C82-A85 PolarHBondContact O-N 3.41Å; S83-A85 VanDerWaalsContact C-N 3.29Å; S83-A85 PolarHBondContact O-N 2.85Å
86G60.4Low81.8Confident68 Ų6870.3 Ų70.370%0.70141%0.409SS*.Hα-helixtrans-115-12.8-172.200000116C82 S83C82-G86 PolarHBondContact O-N 3.11Å; S83-G86 PolarHBondContact O-N 2.78Å
87Q66.2Low82.4Confident55 Ų5570 Ų7026%0.25741%0.407SS..  trans-88.4127.7-176.8-87.1164400113S83 C218S83-Q87 WeakPolarHBondContact O-CB 3.45Å; S83-Q87 PolarHBondContact O-N 3.06Å; S83-Q87 PolarHBondContact OG-NE2 3.46Å; S83-Q87 PolarHBondContact OG-OE1 2.78Å; Q87-C218 HydrophobicContact CG-CB 4.4Å
88S65.3Low83.2Confident89 Ų8967.5 Ų67.562%0.62239%0.386SS*.  trans-60.7156.3155.257.80000110.3
89E85.3Confident83.8Confident180 Ų18063 Ų6384%0.84137%0.365SS*.  trans-38.4136.9175.7-121.6179175.100113.4
90F91.9Very high84.4Confident61 Ų6164.8 Ų64.827%0.26838%0.378SS..  trans-67.1152.8174.4-62.8-70.2000111.2K92 L94 Y207 P216F90-K92 PolarHBondContact O-N 2.95Å; F90-L94 HydrophobicContact CB-CD2 4.08Å; F90-L94 HydrophobicContact CD1-CD2 3.94Å; F90-L94 HydrophobicContact CG-CD2 4.21Å; F90-Y207 HydrophobicContact CD1-CD1 4.46Å; F90-Y207 AromaticContact CD1-CE1 3.68Å; F90-Y207 HydrophobicContact CD1-CE1 3.68Å; F90-Y207 AromaticContact CE1-CE1 3.96Å; F90-Y207 HydrophobicContact CE1-CE1 3.96Å; F90-P216 HydrophobicContact CD1-CB 4.3Å; F90-P216 HydrophobicContact CE1-CB 3.86Å; F90-P216 HydrophobicContact CE1-CG 4.4Å; F90-P216 HydrophobicContact CZ-CB 4.15Å; F90-P216 HydrophobicContact CZ-CG 4.47Å; F90-P216 WeakPolarHBondContact CZ-O 3.42Å
91P94Very high84.9Confident23 Ų2363.8 Ų63.815%0.14937%0.374CS..  trans-53.5135170.4-22.832.2000110.6D93 L94 D203 Y207P91-D93 WeakPolarHBondContact CB-OD1 3.35Å; P91-D93 PolarHBondContact O-N 2.95Å; P91-D93 VanDerWaalsContact O-N 3.17Å; P91-L94 HydrophobicContact CB-CB 4.26Å; P91-L94 VanDerWaalsContact O-CB 3.23Å; P91-L94 WeakPolarHBondContact O-CB 3.32Å; P91-L94 PolarHBondContact O-N 2.76Å; P91-D203 HydrophobicContact CG-CB 3.96Å; P91-Y207 WeakPolarHBondContact CD-OH 3.49Å; P91-Y207 HydrophobicContact CG-CE2 4.43Å
92K93Very high85.5Confident203 Ų20363.8 Ų63.888%0.88336%0.362SS*.THydrogen-bonded Turntrans-63.1-24.2-177.2-67.6-174.1178.2-177.50113.1F90F90-K92 PolarHBondContact O-N 2.95Å
93D95.5Very high86.2Confident104 Ų10459.7 Ų59.756%0.55633%0.334SS*.THydrogen-bonded Turntrans-90.4-2.4176.962.4-29.6000113.4P91 F95 S202P91-D93 WeakPolarHBondContact CB-OD1 3.35Å; P91-D93 PolarHBondContact O-N 2.95Å; P91-D93 VanDerWaalsContact O-N 3.17Å; D93-F95 PolarHBondContact O-N 2.8Å; D93-F95 VanDerWaalsContact O-N 3.11Å; D93-S202 VanDerWaalsContact CG-OG 3.23Å; D93-S202 PolarHBondContact OD1-OG 3.25Å; D93-S202 WeakPolarHBondContact OD2-CB 3.34Å; D93-S202 PolarHBondContact OD2-OG 3.18Å
94L97.2Very high87.3Confident17 Ų1758.9 Ų58.99%0.08933%0.328CS..  trans-66.7111.3173.1-171.672.2000109.4F90 P91 F96 N116 Y207 P216F90-L94 HydrophobicContact CB-CD2 4.08Å; F90-L94 HydrophobicContact CD1-CD2 3.94Å; F90-L94 HydrophobicContact CG-CD2 4.21Å; P91-L94 HydrophobicContact CB-CB 4.26Å; P91-L94 VanDerWaalsContact O-CB 3.23Å; P91-L94 WeakPolarHBondContact O-CB 3.32Å; P91-L94 PolarHBondContact O-N 2.76Å; L94-F96 PolarHBondContact O-N 2.87Å; L94-N116 WeakPolarHBondContact CD1-OD1 3.16Å; L94-Y207 HydrophobicContact CD1-CD1 4.48Å; L94-Y207 HydrophobicContact CD1-CD2 3.76Å; L94-Y207 HydrophobicContact CD1-CE2 4.19Å; L94-Y207 HydrophobicContact CD1-CG 3.92Å; L94-Y207 HydrophobicContact CD2-CD1 3.8Å; L94-Y207 HydrophobicContact CD2-CD2 4.39Å; L94-Y207 HydrophobicContact CD2-CE1 3.84Å; L94-Y207 HydrophobicContact CD2-CE2 4.43Å; L94-Y207 HydrophobicContact CD2-CG 4.07Å; L94-P216 HydrophobicContact CD2-CB 3.96Å; L94-P216 HydrophobicContact CD2-CG 3.74Å
95F98.2Very high88.5Confident7 Ų754.3 Ų54.33%0.03131%0.305CS..  trans-87.5111.9-176.2-178.5-105.2000110.8D93 V97 L111 N116 F130 L131 R142D93-F95 PolarHBondContact O-N 2.8Å; D93-F95 VanDerWaalsContact O-N 3.11Å; F95-V97 HydrophobicContact CD1-CG2 4.23Å; F95-V97 HydrophobicContact CE1-CG2 3.39Å; F95-V97 HydrophobicContact CE2-CG2 4.21Å; F95-V97 HydrophobicContact CZ-CG2 3.38Å; F95-L111 HydrophobicContact CE1-CB 4.4Å; F95-L111 WeakPolarHBondContact CE1-O 3.31Å; F95-N116 PolarHBondContact N-OD1 2.59Å; F95-N116 PolarHBondContact O-ND2 3.24Å; F95-F130 HydrophobicContact CE2-CD1 4.39Å; F95-F130 HydrophobicContact CE2-CE1 4.37Å; F95-F130 AromaticContact CZ-CD1 3.78Å; F95-F130 HydrophobicContact CZ-CD1 3.78Å; F95-F130 AromaticContact CZ-CE1 3.74Å; F95-F130 HydrophobicContact CZ-CE1 3.74Å; F95-L131 HydrophobicContact CB-CD2 4.31Å; F95-L131 HydrophobicContact CD1-CD2 4.12Å; F95-L131 HydrophobicContact CD2-CD2 3.38Å; F95-L131 HydrophobicContact CE1-CD2 4.25Å; F95-L131 HydrophobicContact CE2-CD2 3.56Å; F95-L131 HydrophobicContact CG-CD2 3.67Å; F95-L131 HydrophobicContact CZ-CD2 3.98Å; F95-R142 HydrophobicContact CE2-CG 4.41Å
96F98Very high90Very high8 Ų849.9 Ų49.94%0.03527%0.269CS..  trans-124.9137.8178.3-173.6-119.9000111.1L94 H112 P139 R142 L209 D210 P216L94-F96 PolarHBondContact O-N 2.87Å; F96-H112 AromaticContact CD2-CE1 3.82Å; F96-H112 AromaticContact CD2-NE2 3.67Å; F96-H112 AromaticContact CE2-CE1 3.81Å; F96-P139 HydrophobicContact CD1-CB 3.6Å; F96-P139 HydrophobicContact CD1-CG 3.7Å; F96-P139 HydrophobicContact CE1-CB 4.11Å; F96-P139 HydrophobicContact CE1-CG 4.47Å; F96-R142 WeakPolarHBondContact O-CD 3.14Å; F96-R142 PolarHBondContact O-NH1 3.35Å; F96-L209 HydrophobicContact CD2-CB 4.33Å; F96-L209 HydrophobicContact CD2-CD2 4.06Å; F96-D210 WeakPolarHBondContact CE2-O 3.46Å; F96-D210 VanDerWaalsContact CZ-O 3.29Å; F96-D210 WeakPolarHBondContact CZ-O 3.3Å; F96-P216 HydrophobicContact CB-CG 4.11Å; F96-P216 HydrophobicContact CD1-CG 4.3Å; F96-P216 HydrophobicContact CD2-CG 4.01Å; F96-P216 HydrophobicContact CG-CG 3.89Å
97V98.2Very high91.8Very high0 Ų046.7 Ų46.70%024%0.235CC..  trans-128127.2-178.3-177.90000108.3F95 H112 R142F95-V97 HydrophobicContact CD1-CG2 4.23Å; F95-V97 HydrophobicContact CE1-CG2 3.39Å; F95-V97 HydrophobicContact CE2-CG2 4.21Å; F95-V97 HydrophobicContact CZ-CG2 3.38Å; V97-H112 PolarHBondContact N-NE2 2.88Å; V97-H112 PolarHBondContact O-CE1 3.4Å; V97-H112 PolarHBondContact O-NE2 3.1Å; V97-R142 HydrophobicContact CB-CB 4.38Å; V97-R142 HydrophobicContact CG1-CB 4.11Å; V97-R142 HydrophobicContact CG2-CB 4.05Å
98K97.7Very high93.3Very high33 Ų3344.1 Ų44.114%0.14322%0.224CC..  trans-78135.6173.5-158.880.6-178.994.60109.9T100 P139 G143 G211 R212 K213K98-T100 PolarHBondContact O-N 2.77Å; K98-P139 HydrophobicContact CB-CB 4.4Å; K98-P139 WeakPolarHBondContact CB-O 3.31Å; K98-P139 PolarHBondContact N-O 2.87Å; K98-G143 WeakPolarHBondContact O-CA 3.38Å; K98-G211 WeakPolarHBondContact CD-O 3.46Å; K98-G211 PolarHBondContact NZ-O 2.97Å; K98-R212 PolarHBondContact NZ-O 3.18Å; K98-K213 WeakPolarHBondContact CD-O 3.49Å; K98-K213 WeakPolarHBondContact CE-O 3.46Å; K98-K213 VanDerWaalsContact NZ-C 3.33Å; K98-K213 PolarHBondContact NZ-O 2.99Å
99Q96.7Very high94.9Very high33 Ų3340 Ų4015%0.15419%0.194CC..  trans-79.1115.2170-175.8177.8-26.400109.3V101 A104 C105 V108 H194 G211Q99-V101 WeakPolarHBondContact CG-O 3.48Å; Q99-V101 PolarHBondContact NE2-O 2.75Å; Q99-A104 HydrophobicContact CG-CB 4.42Å; Q99-C105 VanDerWaalsContact OE1-CA 3.26Å; Q99-C105 VanDerWaalsContact OE1-CB 3.23Å; Q99-V108 HydrophobicContact CB-CG2 4.04Å; Q99-V108 HydrophobicContact CG-CG2 4.19Å; Q99-H194 PolarHBondContact OE1-CE1 2.87Å; Q99-G211 PolarHBondContact N-O 2.81Å
100T92.2Very high95.5Very high79 Ų7931.4 Ų31.449%0.48515%0.154SC..  trans-111.3-0.8177.653.40000113K98 G143K98-T100 PolarHBondContact O-N 2.77Å; T100-G143 PolarHBondContact OG1-O 2.97Å
101V91.4Very high95.8Very high4 Ų428.5 Ų28.52%0.02414%0.142CC..SBendtrans-123.7134.2-174.5177.60000109.4D14 W16 Q99 N103 A104 M146 A147D14-V101 HydrophobicContact CB-CG1 4.14Å; D14-V101 HydrophobicContact CB-CG2 4.34Å; D14-V101 WeakPolarHBondContact O-CG1 3.39Å; W16-V101 HydrophobicContact CB-CG1 4.36Å; W16-V101 VanDerWaalsContact CD1-CG1 3.44Å; W16-V101 HydrophobicContact CD2-CG1 3.79Å; W16-V101 HydrophobicContact CG-CG1 3.62Å; W16-V101 HydrophobicContact CZ2-CG1 4.49Å; Q99-V101 WeakPolarHBondContact CG-O 3.48Å; Q99-V101 PolarHBondContact NE2-O 2.75Å; V101-N103 PolarHBondContact O-N 3.25Å; V101-A104 HydrophobicContact CB-CB 3.8Å; V101-A104 HydrophobicContact CG1-CB 4.02Å; V101-A104 PolarHBondContact O-N 2.81Å; V101-M146 HydrophobicContact CG2-CE 4.47Å; V101-A147 HydrophobicContact CG2-CB 3.4Å; V101-A147 VanDerWaalsContact CG2-CB 3.4Å
102K90.3Very high96.1Very high63 Ų6327.4 Ų27.427%0.27414%0.135SC..BIsolated β-bridgetrans-63.9136177.6-171.8174.1-177.8177.10109.3D14 C15 W16 A104 D190D14-K102 PolarHBondContact O-N 2.81Å; C15-K102 HydrophobicContact CB-CB 4.2Å; W16-K102 PolarHBondContact N-O 3.25Å; K102-A104 PolarHBondContact O-N 3.48Å; K102-D190 IonicContact NZ-OD1 3.22Å; K102-D190 PolarHBondContact NZ-OD1 3.28Å
103N90.9Very high96.3Very high10 Ų1017.9 Ų17.95%0.0539%0.094CC..THydrogen-bonded Turntrans63.110.9-178.3-52.1-25.2000116.8C15 W16 P18 V101 C105 Q156 V191C15-N103 PolarHBondContact SG-ND2 3.19Å; C15-N103 VanDerWaalsContact SG-ND2 3.41Å; W16-N103 WeakPolarHBondContact O-CB 3.33Å; W16-N103 PolarHBondContact O-ND2 2.69Å; W16-N103 VanDerWaalsContact O-ND2 3.08Å; P18-N103 HydrophobicContact CB-CB 4.21Å; V101-N103 PolarHBondContact O-N 3.25Å; N103-C105 PolarHBondContact O-N 2.84Å; N103-Q156 PolarHBondContact O-NE2 3.47Å; N103-V191 WeakPolarHBondContact OD1-CB 3.45Å
104A94.3Very high96.5Very high0 Ų013.1 Ų13.10%07%0.068CC..  trans-79.62.7175.200000113.9W16 Q99 V101 K102 G106 M107 V108 M146W16-A104 HydrophobicContact CD2-CB 4.26Å; W16-A104 HydrophobicContact CE3-CB 3.7Å; W16-A104 HydrophobicContact CZ3-CB 4.09Å; Q99-A104 HydrophobicContact CG-CB 4.42Å; V101-A104 HydrophobicContact CB-CB 3.8Å; V101-A104 HydrophobicContact CG1-CB 4.02Å; V101-A104 PolarHBondContact O-N 2.81Å; K102-A104 PolarHBondContact O-N 3.48Å; A104-G106 VanDerWaalsContact C-N 3.32Å; A104-G106 PolarHBondContact O-N 3.11Å; A104-M107 PolarHBondContact O-N 3.38Å; A104-M107 VanDerWaalsContact O-N 3.09Å; A104-V108 HydrophobicContact CB-CG2 4.48Å; A104-V108 WeakPolarHBondContact O-CG2 3.36Å; A104-V108 PolarHBondContact O-N 2.85Å; A104-M146 HydrophobicContact CB-CE 3.84Å
105C96.6Very high96.5Very high10 Ų1012.5 Ų12.57%0.0687%0.066CC..Hα-helixtrans-55.5-40.6-172.655.50000113.7Q99 N103 M107 V108 A109 H194 F195Q99-C105 VanDerWaalsContact OE1-CA 3.26Å; Q99-C105 VanDerWaalsContact OE1-CB 3.23Å; N103-C105 PolarHBondContact O-N 2.84Å; C105-M107 PolarHBondContact O-N 2.78Å; C105-V108 PolarHBondContact O-N 3.03Å; C105-A109 VanDerWaalsContact O-CB 3.31Å; C105-A109 WeakPolarHBondContact O-CB 3.45Å; C105-A109 PolarHBondContact O-N 3.12Å; C105-H194 VanDerWaalsContact CB-CE1 3.46Å; C105-H194 WeakPolarHBondContact CB-CE1 3.5Å; C105-H194 WeakPolarHBondContact CB-ND1 3.36Å; C105-F195 HydrophobicContact CB-CB 4.19Å
106G97Very high96.5Very high1 Ų113.2 Ų13.21%0.017%0.07CC..Hα-helixtrans-63.5-40.417800000112.9A104 L110A104-G106 VanDerWaalsContact C-N 3.32Å; A104-G106 PolarHBondContact O-N 3.11Å; G106-L110 WeakPolarHBondContact O-CB 3.26Å; G106-L110 PolarHBondContact O-N 2.75Å; G106-L110 VanDerWaalsContact O-N 3.11Å
107M97.6Very high96.5Very high0 Ų014.3 Ų14.30%08%0.077CC..Hα-helixtrans-70.6-40.5174.5-175.76871.300111.9W16 L29 L33 A104 C105 A109 L110 L111 L152 L155 Q156W16-M107 HydrophobicContact CZ3-CB 4.39Å; W16-M107 HydrophobicContact CZ3-CG 4.32Å; L29-M107 HydrophobicContact CD2-CE 3.98Å; L33-M107 HydrophobicContact CD1-SD 3.79Å; A104-M107 PolarHBondContact O-N 3.38Å; A104-M107 VanDerWaalsContact O-N 3.09Å; C105-M107 PolarHBondContact O-N 2.78Å; M107-A109 PolarHBondContact O-N 3.03Å; M107-L110 PolarHBondContact O-N 3.38Å; M107-L111 HydrophobicContact CG-CD1 4.47Å; M107-L111 WeakPolarHBondContact O-CG 3.33Å; M107-L111 PolarHBondContact O-N 2.85Å; M107-L152 HydrophobicContact CE-CD2 4.32Å; M107-L152 HydrophobicContact CG-CD2 4.49Å; M107-L152 HydrophobicContact SD-CD2 3.89Å; M107-L155 HydrophobicContact CE-CB 4.38Å; M107-Q156 HydrophobicContact CE-CB 3.9Å
108V98.4Very high96.4Very high2 Ų217.9 Ų17.91%0.01210%0.1CC..Hα-helixtrans-59.6-47175.7172.80000110.8Q99 A104 C105 L110 L111 H112 M146Q99-V108 HydrophobicContact CB-CG2 4.04Å; Q99-V108 HydrophobicContact CG-CG2 4.19Å; A104-V108 HydrophobicContact CB-CG2 4.48Å; A104-V108 WeakPolarHBondContact O-CG2 3.36Å; A104-V108 PolarHBondContact O-N 2.85Å; C105-V108 PolarHBondContact O-N 3.03Å; V108-L110 VanDerWaalsContact C-N 3.27Å; V108-L110 PolarHBondContact O-N 3.26Å; V108-L111 PolarHBondContact O-N 2.78Å; V108-H112 VanDerWaalsContact CG1-CE1 3.42Å; V108-H112 WeakPolarHBondContact CG1-CE1 3.39Å; V108-H112 PolarHBondContact O-N 2.99Å; V108-M146 HydrophobicContact CG2-CE 3.87Å; V108-M146 HydrophobicContact CG2-SD 3.51Å; V108-M146 VanDerWaalsContact CG2-SD 3.51Å
109A98.6Very high96.3Very high1 Ų121.6 Ų21.61%0.00813%0.13CC..Hα-helixtrans-62-36.5177.800000111.9L63 C105 M107 H112 A113 F195 C197L63-A109 HydrophobicContact CD2-CB 4.11Å; C105-A109 VanDerWaalsContact O-CB 3.31Å; C105-A109 WeakPolarHBondContact O-CB 3.45Å; C105-A109 PolarHBondContact O-N 3.12Å; M107-A109 PolarHBondContact O-N 3.03Å; A109-H112 WeakPolarHBondContact O-CB 3.37Å; A109-H112 PolarHBondContact O-N 3.3Å; A109-A113 PolarHBondContact O-N 3.2Å; A109-F195 HydrophobicContact CB-CB 3.93Å; A109-C197 HydrophobicContact CB-CB 4.12Å; A109-C197 PolarHBondContact O-SG 3.3Å
110L98.1Very high96.3Very high0 Ų021.4 Ų21.40%013%0.13CC..Hα-helixtrans-70.2-40.6175.8-16757.4000112.7F26 L29 I30 L33 G106 M107 V108 H112 A113 L114 I253F26-L110 HydrophobicContact CD1-CD1 4.18Å; F26-L110 HydrophobicContact CD1-CD2 4.23Å; L29-L110 HydrophobicContact CB-CD2 3.45Å; L29-L110 VanDerWaalsContact CB-CD2 3.45Å; L29-L110 HydrophobicContact CD1-CD2 4.06Å; L29-L110 HydrophobicContact CG-CD2 4.38Å; I30-L110 HydrophobicContact CD1-CD1 4.13Å; I30-L110 HydrophobicContact CG1-CD1 3.7Å; I30-L110 HydrophobicContact CG1-CD2 4.37Å; L33-L110 HydrophobicContact CD1-CD2 3.55Å; L33-L110 HydrophobicContact CD1-CG 4.12Å; G106-L110 WeakPolarHBondContact O-CB 3.26Å; G106-L110 PolarHBondContact O-N 2.75Å; G106-L110 VanDerWaalsContact O-N 3.11Å; M107-L110 PolarHBondContact O-N 3.38Å; V108-L110 VanDerWaalsContact C-N 3.27Å; V108-L110 PolarHBondContact O-N 3.26Å; L110-H112 VanDerWaalsContact C-N 3.32Å; L110-A113 PolarHBondContact O-N 3.26Å; L110-L114 HydrophobicContact CD1-CD1 4.34Å; L110-L114 HydrophobicContact CD1-CG 4.37Å; L110-L114 HydrophobicContact CG-CD1 4.09Å; L110-L114 HydrophobicContact CG-CG 4.5Å; L110-L114 WeakPolarHBondContact O-CB 3.4Å; L110-L114 WeakPolarHBondContact O-CG 3.32Å; L110-L114 PolarHBondContact O-N 2.68Å; L110-I253 HydrophobicContact CD1-CD1 3.92Å
111L98.4Very high96.5Very high0 Ų018.6 Ų18.60%011%0.111CC..Hα-helixtrans-63.1-38.7172.6-71.9177.4000111.6F95 M107 V108 G115 V127 M146 L152F95-L111 HydrophobicContact CE1-CB 4.4Å; F95-L111 WeakPolarHBondContact CE1-O 3.31Å; M107-L111 HydrophobicContact CG-CD1 4.47Å; M107-L111 WeakPolarHBondContact O-CG 3.33Å; M107-L111 PolarHBondContact O-N 2.85Å; V108-L111 PolarHBondContact O-N 2.78Å; L111-G115 WeakPolarHBondContact O-CA 3.49Å; L111-G115 PolarHBondContact O-N 3.22Å; L111-V127 HydrophobicContact CD2-CG2 3.93Å; L111-M146 HydrophobicContact CD1-CB 4.43Å; L111-M146 HydrophobicContact CD1-CG 3.74Å; L111-M146 HydrophobicContact CD1-SD 3.85Å; L111-L152 HydrophobicContact CD1-CD1 4.21Å
112H98.7Very high96.7Very high1 Ų122 Ų221%0.00512%0.124CC..Hα-helixtrans-61.7-47.4172.1-71.2165.4000111.4F96 V97 V108 A109 L110 N116 C197 L209F96-H112 AromaticContact CD2-CE1 3.82Å; F96-H112 AromaticContact CD2-NE2 3.67Å; F96-H112 AromaticContact CE2-CE1 3.81Å; V97-H112 PolarHBondContact N-NE2 2.88Å; V97-H112 PolarHBondContact O-CE1 3.4Å; V97-H112 PolarHBondContact O-NE2 3.1Å; V108-H112 VanDerWaalsContact CG1-CE1 3.42Å; V108-H112 WeakPolarHBondContact CG1-CE1 3.39Å; V108-H112 PolarHBondContact O-N 2.99Å; A109-H112 WeakPolarHBondContact O-CB 3.37Å; A109-H112 PolarHBondContact O-N 3.3Å; L110-H112 VanDerWaalsContact C-N 3.32Å; H112-N116 WeakPolarHBondContact O-CB 3.27Å; H112-N116 PolarHBondContact O-N 3.08Å; H112-N116 VanDerWaalsContact O-N 3.16Å; H112-N116 PolarHBondContact O-ND2 3.23Å; H112-C197 HydrophobicContact CB-CB 3.91Å; H112-L209 HydrophobicContact CB-CB 4.08Å; H112-L209 HydrophobicContact CB-CD1 3.7Å; H112-L209 WeakPolarHBondContact ND1-CB 3.38Å
113A98.7Very high96.8Very high3 Ų326 Ų263%0.02514%0.143CC..Hα-helixtrans-60.7-51.1179.600000112.3A61 L63 A109 L110 N117 I253A61-A113 HydrophobicContact CB-CB 3.56Å; L63-A113 HydrophobicContact CD2-CB 4.38Å; A109-A113 PolarHBondContact O-N 3.2Å; L110-A113 PolarHBondContact O-N 3.26Å; A113-N117 PolarHBondContact O-N 2.84Å; A113-N117 PolarHBondContact O-ND2 3.1Å; A113-I253 HydrophobicContact CB-CD1 3.64Å
114L98.4Very high97Very high4 Ų430.3 Ų30.32%0.02117%0.172CC..Hα-helixtrans-72.4-39.6-177-65.5178000111.9L33 A34 L39 L110 N116 N117 L121 V127L33-L114 HydrophobicContact CB-CD1 3.76Å; L33-L114 HydrophobicContact CD1-CD1 4.38Å; A34-L114 HydrophobicContact CB-CD1 4.14Å; A34-L114 HydrophobicContact CB-CD2 3.9Å; L39-L114 HydrophobicContact CD1-CD2 3.85Å; L110-L114 HydrophobicContact CD1-CD1 4.34Å; L110-L114 HydrophobicContact CD1-CG 4.37Å; L110-L114 HydrophobicContact CG-CD1 4.09Å; L110-L114 HydrophobicContact CG-CG 4.5Å; L110-L114 WeakPolarHBondContact O-CB 3.4Å; L110-L114 WeakPolarHBondContact O-CG 3.32Å; L110-L114 PolarHBondContact O-N 2.68Å; L114-N116 VanDerWaalsContact C-N 3.31Å; L114-N116 PolarHBondContact O-N 3.14Å; L114-N117 CarbonylContact O-C 3.54Å; L114-N117 PolarHBondContact O-N 3.46Å; L114-N117 VanDerWaalsContact O-N 3.11Å; L114-L121 HydrophobicContact CB-CD2 4.14Å; L114-L121 HydrophobicContact CD2-CD2 4.39Å; L114-V127 HydrophobicContact CB-CB 4.42Å; L114-V127 HydrophobicContact CB-CG1 3.94Å; L114-V127 HydrophobicContact CB-CG2 4.12Å; L114-V127 HydrophobicContact CD1-CG2 3.85Å
115G98.2Very high97.1Very high4 Ų430.5 Ų30.54%0.04117%0.173CC..Hα-helixtrans-68.6-27.2-178.600000114.2L111L111-G115 WeakPolarHBondContact O-CA 3.49Å; L111-G115 PolarHBondContact O-N 3.22Å
116N98.5Very high97.2Very high22 Ų2231.6 Ų31.612%0.11818%0.177CC..THydrogen-bonded Turntrans-90.41173.1-69.7-77.6000113.4L94 F95 H112 L114 V199 L209L94-N116 WeakPolarHBondContact CD1-OD1 3.16Å; F95-N116 PolarHBondContact N-OD1 2.59Å; F95-N116 PolarHBondContact O-ND2 3.24Å; H112-N116 WeakPolarHBondContact O-CB 3.27Å; H112-N116 PolarHBondContact O-N 3.08Å; H112-N116 VanDerWaalsContact O-N 3.16Å; H112-N116 PolarHBondContact O-ND2 3.23Å; L114-N116 VanDerWaalsContact C-N 3.31Å; L114-N116 PolarHBondContact O-N 3.14Å; N116-V199 HydrophobicContact CB-CB 4.2Å; N116-V199 HydrophobicContact CB-CG1 4.2Å; N116-V199 HydrophobicContact CB-CG2 3.99Å; N116-L209 VanDerWaalsContact ND2-CD1 3.29Å; N116-L209 WeakPolarHBondContact ND2-CD1 3.04Å
117N97.8Very high97.2Very high31 Ų3131.5 Ų31.517%0.16618%0.176CC..  trans-127.453.9174.2-69.1-77.9000111.7V60 A113 L114 S119 L120V60-N117 PolarHBondContact O-ND2 3.05Å; A113-N117 PolarHBondContact O-N 2.84Å; A113-N117 PolarHBondContact O-ND2 3.1Å; L114-N117 CarbonylContact O-C 3.54Å; L114-N117 PolarHBondContact O-N 3.46Å; L114-N117 VanDerWaalsContact O-N 3.11Å; N117-S119 PolarHBondContact O-N 3.11Å; N117-S119 VanDerWaalsContact O-N 3.13Å; N117-L120 HydrophobicContact CB-CD1 3.79Å; N117-L120 HydrophobicContact CB-CG 4.34Å; N117-L120 WeakPolarHBondContact O-CB 3.08Å; N117-L120 PolarHBondContact O-N 2.87Å
118P96.7Very high97.2Very high75 Ų7532.2 Ų32.249%0.48718%0.182SC..G310 helixtrans-63.7-23.8-170.826.6-36000114.1L120 L121 L131P118-L120 PolarHBondContact O-N 3.24Å; P118-L121 HydrophobicContact CB-CD1 4.38Å; P118-L121 PolarHBondContact O-N 3.27Å; P118-L131 HydrophobicContact CB-CD1 4.04Å
119S95.2Very high97.2Very high110 Ų11036 Ų3677%0.76920%0.202SC*.G310 helixtrans-65.6-15.2175.557.20000113.7N117N117-S119 PolarHBondContact O-N 3.11Å; N117-S119 VanDerWaalsContact O-N 3.13Å
120L95.8Very high97.1Very high30 Ų3036.2 Ų36.216%0.15720%0.203CC..G310 helixtrans-97.60179.5-54.2173.1000112.3N36 L39 V60 N117 P118 A255N36-L120 WeakPolarHBondContact CB-O 3.31Å; N36-L120 PolarHBondContact ND2-O 3.41Å; L39-L120 HydrophobicContact CD1-CB 3.91Å; L39-L120 HydrophobicContact CD2-CB 4.08Å; L39-L120 HydrophobicContact CD2-CD1 3.76Å; L39-L120 HydrophobicContact CD2-CG 4.39Å; L39-L120 HydrophobicContact CG-CB 4.31Å; V60-L120 HydrophobicContact CB-CD1 4.06Å; V60-L120 HydrophobicContact CG1-CD1 3.72Å; V60-L120 HydrophobicContact CG2-CD1 3.98Å; N117-L120 HydrophobicContact CB-CD1 3.79Å; N117-L120 HydrophobicContact CB-CG 4.34Å; N117-L120 WeakPolarHBondContact O-CB 3.08Å; N117-L120 PolarHBondContact O-N 2.87Å; P118-L120 PolarHBondContact O-N 3.24Å; L120-A255 HydrophobicContact CD1-CB 4.42Å; L120-A255 HydrophobicContact CD2-CB 4.33Å
121L96.9Very high97.1Very high19 Ų1937.9 Ų37.910%0.09921%0.212CC..  trans-85.7139.6176.6-51.9177.4000109.9A34 L114 P118 V127 A128 L131A34-L121 HydrophobicContact CB-CD2 3.7Å; L114-L121 HydrophobicContact CB-CD2 4.14Å; L114-L121 HydrophobicContact CD2-CD2 4.39Å; P118-L121 HydrophobicContact CB-CD1 4.38Å; P118-L121 PolarHBondContact O-N 3.27Å; L121-V127 HydrophobicContact CD1-CB 4.09Å; L121-V127 HydrophobicContact CD1-CG1 3.79Å; L121-V127 HydrophobicContact CD2-CB 4.19Å; L121-V127 HydrophobicContact CD2-CG1 4.27Å; L121-A128 HydrophobicContact CB-CB 4.37Å; L121-A128 HydrophobicContact CD1-CB 4.06Å; L121-L131 HydrophobicContact CD1-CD1 3.86Å
122R95.7Very high97Very high75 Ų7545.7 Ų45.728%0.28325%0.246SC..  trans-114134.1176.8-64.8-176.8173.6-169.7-5.5110.6A34 N35 N36 P124 S125 E258A34-R122 PolarHBondContact O-N 2.81Å; N35-R122 WeakPolarHBondContact CB-O 3.18Å; N35-R122 WeakPolarHBondContact O-CB 3.38Å; N35-R122 WeakPolarHBondContact O-CD 3.34Å; N36-R122 HydrophobicContact CB-CG 4.11Å; N36-R122 PolarHBondContact OD1-NE 3.37Å; R122-P124 CarbonylContact O-C 3.57Å; R122-S125 WeakPolarHBondContact O-CB 3.32Å; R122-S125 PolarHBondContact O-N 2.95Å; R122-E258 IonicContact CZ-OE1 2.81Å; R122-E258 IonicContact NE-OE1 4Å; R122-E258 IonicContact NH2-OE1 3.48Å; R122-E258 PolarHBondContact NH2-OE1 3.22Å; R122-E258 IonicContact NH2-OE2 2.75Å; R122-E258 PolarHBondContact NH2-OE2 3.11Å
123H93.1Very high97Very high147 Ų14751.3 Ų51.368%0.68127%0.274SS*.SBendtrans-80138.8179.6-73.1-76.3000112.3A128H123-A128 WeakPolarHBondContact CE1-CB 3.3Å
124P95.3Very high96.9Very high102 Ų10251.1 Ų51.166%0.66227%0.273SS*.SBendcis-73.9140.6-5.631-34.4000112.2N35 R122N35-P124 WeakPolarHBondContact CB-O 3.39Å; N35-P124 PolarHBondContact ND2-O 3.02Å; R122-P124 CarbonylContact O-C 3.57Å
125S96.3Very high96.7Very high3 Ų358.3 Ų58.32%0.02130%0.304CS..  trans-139.3131.5176.7153.60000109.4L33 R122 V127 A128 D129L33-S125 PolarHBondContact O-OG 2.69Å; R122-S125 WeakPolarHBondContact O-CB 3.32Å; R122-S125 PolarHBondContact O-N 2.95Å; S125-V127 VanDerWaalsContact C-N 3.28Å; S125-V127 PolarHBondContact O-N 2.88Å; S125-V127 PolarHBondContact OG-N 2.85Å; S125-A128 PolarHBondContact O-N 2.84Å; S125-A128 PolarHBondContact OG-N 3.11Å; S125-A128 VanDerWaalsContact OG-N 3.14Å; S125-D129 PolarHBondContact O-N 3.43Å; S125-D129 VanDerWaalsContact O-N 3.09Å
126F97.5Very high96.6Very high33 Ų3365.2 Ų65.215%0.14534%0.34CS..Hα-helixtrans-54.2-47.1174179.8-83.8000111.2L33 A128 D129 F130 E151 L152L33-F126 HydrophobicContact CD2-CB 4.12Å; L33-F126 HydrophobicContact CD2-CD1 3.76Å; L33-F126 HydrophobicContact CD2-CG 4.04Å; L33-F126 PolarHBondContact O-N 2.77Å; F126-A128 VanDerWaalsContact C-N 3.34Å; F126-A128 PolarHBondContact O-N 2.86Å; F126-D129 PolarHBondContact O-N 3.16Å; F126-F130 HydrophobicContact CD1-CB 4.35Å; F126-F130 HydrophobicContact CE1-CB 4.02Å; F126-F130 AromaticContact CE1-CD2 3.81Å; F126-F130 HydrophobicContact CE1-CD2 3.81Å; F126-F130 HydrophobicContact CE1-CG 4.18Å; F126-F130 HydrophobicContact CZ-CD2 4.03Å; F126-F130 WeakPolarHBondContact O-CB 3.49Å; F126-F130 PolarHBondContact O-N 3.17Å; F126-E151 HydrophobicContact CD2-CB 4.44Å; F126-E151 VanDerWaalsContact CD2-CD 3.42Å; F126-E151 HydrophobicContact CD2-CG 4.15Å; F126-E151 WeakPolarHBondContact CD2-OE2 3.46Å; F126-E151 HydrophobicContact CE2-CB 4.07Å; F126-E151 HydrophobicContact CE2-CG 4.27Å; F126-L152 HydrophobicContact CD1-CD2 3.96Å; F126-L152 HydrophobicContact CE1-CD1 3.78Å; F126-L152 HydrophobicContact CE1-CD2 3.51Å; F126-L152 HydrophobicContact CE1-CG 3.71Å; F126-L152 HydrophobicContact CE2-CD2 4.41Å; F126-L152 HydrophobicContact CE2-CG 4.27Å; F126-L152 HydrophobicContact CZ-CD1 3.79Å; F126-L152 HydrophobicContact CZ-CD2 3.76Å; F126-L152 HydrophobicContact CZ-CG 3.51Å
127V97.9Very high96.5Very high0 Ų065.4 Ų65.40%034%0.343CS..Hα-helixtrans-66.6-38.2-177.8178.40000111.2L33 L111 L114 L121 S125 D129 F130 L131L33-V127 HydrophobicContact CB-CG2 3.85Å; L33-V127 PolarHBondContact O-N 2.59Å; L33-V127 VanDerWaalsContact O-N 3.1Å; L111-V127 HydrophobicContact CD2-CG2 3.93Å; L114-V127 HydrophobicContact CB-CB 4.42Å; L114-V127 HydrophobicContact CB-CG1 3.94Å; L114-V127 HydrophobicContact CB-CG2 4.12Å; L114-V127 HydrophobicContact CD1-CG2 3.85Å; L121-V127 HydrophobicContact CD1-CB 4.09Å; L121-V127 HydrophobicContact CD1-CG1 3.79Å; L121-V127 HydrophobicContact CD2-CB 4.19Å; L121-V127 HydrophobicContact CD2-CG1 4.27Å; S125-V127 VanDerWaalsContact C-N 3.28Å; S125-V127 PolarHBondContact O-N 2.88Å; S125-V127 PolarHBondContact OG-N 2.85Å; V127-D129 VanDerWaalsContact C-N 3.32Å; V127-D129 PolarHBondContact O-N 3Å; V127-F130 PolarHBondContact O-N 3.37Å; V127-L131 HydrophobicContact CG1-CD1 4.25Å; V127-L131 HydrophobicContact CG1-CG 4.22Å; V127-L131 WeakPolarHBondContact O-CB 3.45Å; V127-L131 VanDerWaalsContact O-CG 3.27Å; V127-L131 WeakPolarHBondContact O-CG 3.47Å; V127-L131 PolarHBondContact O-N 2.97Å
128A97.5Very high96.5Very high14 Ų1466.8 Ų66.812%0.11635%0.353CS..Hα-helixtrans-62.9-40.917700000111.6L121 H123 S125 F126 K132L121-A128 HydrophobicContact CB-CB 4.37Å; L121-A128 HydrophobicContact CD1-CB 4.06Å; H123-A128 WeakPolarHBondContact CE1-CB 3.3Å; S125-A128 PolarHBondContact O-N 2.84Å; S125-A128 PolarHBondContact OG-N 3.11Å; S125-A128 VanDerWaalsContact OG-N 3.14Å; F126-A128 VanDerWaalsContact C-N 3.34Å; F126-A128 PolarHBondContact O-N 2.86Å; A128-K132 PolarHBondContact O-N 3.07Å; A128-K132 VanDerWaalsContact O-N 3.16Å
129D97.5Very high96.5Very high81 Ų8164.8 Ų64.843%0.43334%0.34SS..Hα-helixtrans-68.6-40.5174.2-69.2-27.5000111.7S125 F126 V127 L131 K132 I133S125-D129 PolarHBondContact O-N 3.43Å; S125-D129 VanDerWaalsContact O-N 3.09Å; F126-D129 PolarHBondContact O-N 3.16Å; V127-D129 VanDerWaalsContact C-N 3.32Å; V127-D129 PolarHBondContact O-N 3Å; D129-L131 PolarHBondContact O-N 2.85Å; D129-K132 WeakPolarHBondContact O-CB 3.46Å; D129-K132 PolarHBondContact O-N 3.44Å; D129-K132 VanDerWaalsContact O-N 3.14Å; D129-I133 WeakPolarHBondContact O-CG1 3.22Å; D129-I133 WeakPolarHBondContact O-CG2 3.38Å; D129-I133 PolarHBondContact O-N 2.96Å
130F97.8Very high96.6Very high6 Ų663.9 Ų63.93%0.02632%0.323CS..Hα-helixtrans-59.9-45.2176.2-166.6-88.9000111.8F95 F126 V127 K132 I133 S134 R142 L145 M146F95-F130 HydrophobicContact CE2-CD1 4.39Å; F95-F130 HydrophobicContact CE2-CE1 4.37Å; F95-F130 AromaticContact CZ-CD1 3.78Å; F95-F130 HydrophobicContact CZ-CD1 3.78Å; F95-F130 AromaticContact CZ-CE1 3.74Å; F95-F130 HydrophobicContact CZ-CE1 3.74Å; F126-F130 HydrophobicContact CD1-CB 4.35Å; F126-F130 HydrophobicContact CE1-CB 4.02Å; F126-F130 AromaticContact CE1-CD2 3.81Å; F126-F130 HydrophobicContact CE1-CD2 3.81Å; F126-F130 HydrophobicContact CE1-CG 4.18Å; F126-F130 HydrophobicContact CZ-CD2 4.03Å; F126-F130 WeakPolarHBondContact O-CB 3.49Å; F126-F130 PolarHBondContact O-N 3.17Å; V127-F130 PolarHBondContact O-N 3.37Å; F130-K132 VanDerWaalsContact C-N 3.29Å; F130-K132 PolarHBondContact O-N 3.4Å; F130-I133 WeakPolarHBondContact O-CG1 3.33Å; F130-I133 PolarHBondContact O-N 3.28Å; F130-S134 VanDerWaalsContact O-CB 3.3Å; F130-S134 WeakPolarHBondContact O-CB 3.44Å; F130-S134 PolarHBondContact O-N 3.14Å; F130-S134 PolarHBondContact O-OG 2.6Å; F130-R142 HydrophobicContact CE1-CB 4.47Å; F130-L145 HydrophobicContact CE2-CB 3.96Å; F130-L145 HydrophobicContact CZ-CB 4.02Å; F130-M146 HydrophobicContact CZ-CB 4.3Å
131L97.6Very high96.7Very high36 Ų3667.2 Ų67.219%0.18834%0.338CS..Hα-helixtrans-60-40.6174.5-72.4174.7000111.5F95 P118 L121 V127 D129 K135F95-L131 HydrophobicContact CB-CD2 4.31Å; F95-L131 HydrophobicContact CD1-CD2 4.12Å; F95-L131 HydrophobicContact CD2-CD2 3.38Å; F95-L131 HydrophobicContact CE1-CD2 4.25Å; F95-L131 HydrophobicContact CE2-CD2 3.56Å; F95-L131 HydrophobicContact CG-CD2 3.67Å; F95-L131 HydrophobicContact CZ-CD2 3.98Å; P118-L131 HydrophobicContact CB-CD1 4.04Å; L121-L131 HydrophobicContact CD1-CD1 3.86Å; V127-L131 HydrophobicContact CG1-CD1 4.25Å; V127-L131 HydrophobicContact CG1-CG 4.22Å; V127-L131 WeakPolarHBondContact O-CB 3.45Å; V127-L131 VanDerWaalsContact O-CG 3.27Å; V127-L131 WeakPolarHBondContact O-CG 3.47Å; V127-L131 PolarHBondContact O-N 2.97Å; D129-L131 PolarHBondContact O-N 2.85Å; L131-K135 WeakPolarHBondContact O-CA 3.5Å; L131-K135 PolarHBondContact O-N 2.82Å; L131-K135 VanDerWaalsContact O-N 3.13Å
132K96.9Very high96.7Very high164 Ų16467.6 Ų67.671%0.71334%0.338SS*.Hα-helixtrans-66.7-47.8179.9-176.9-178176.7-176.10111.9A128 D129 F130 S134A128-K132 PolarHBondContact O-N 3.07Å; A128-K132 VanDerWaalsContact O-N 3.16Å; D129-K132 WeakPolarHBondContact O-CB 3.46Å; D129-K132 PolarHBondContact O-N 3.44Å; D129-K132 VanDerWaalsContact O-N 3.14Å; F130-K132 VanDerWaalsContact C-N 3.29Å; F130-K132 PolarHBondContact O-N 3.4Å; K132-S134 VanDerWaalsContact C-N 3.33Å
133I96.9Very high96.8Very high118 Ų11864 Ų6461%0.60533%0.325SS*.Hα-helixtrans-72.5-26.4-178.267.2173.4000113D129 F130D129-I133 WeakPolarHBondContact O-CG1 3.22Å; D129-I133 WeakPolarHBondContact O-CG2 3.38Å; D129-I133 PolarHBondContact O-N 2.96Å; F130-I133 WeakPolarHBondContact O-CG1 3.33Å; F130-I133 PolarHBondContact O-N 3.28Å
134S97Very high96.9Very high0 Ų059.6 Ų59.60%031%0.314CS..THydrogen-bonded Turntrans-108.215.9-175.271.70000114.2F130 K132 D136 S137 R142F130-S134 VanDerWaalsContact O-CB 3.3Å; F130-S134 WeakPolarHBondContact O-CB 3.44Å; F130-S134 PolarHBondContact O-N 3.14Å; F130-S134 PolarHBondContact O-OG 2.6Å; K132-S134 VanDerWaalsContact C-N 3.33Å; S134-D136 VanDerWaalsContact C-N 3.32Å; S134-D136 PolarHBondContact O-N 3.34Å; S134-S137 WeakPolarHBondContact CA-OG 3.34Å; S134-S137 WeakPolarHBondContact O-CB 3.34Å; S134-S137 PolarHBondContact O-N 3.22Å; S134-S137 VanDerWaalsContact O-N 3.12Å; S134-R142 PolarHBondContact O-NE 3.25Å; S134-R142 VanDerWaalsContact O-NE 3.15Å; S134-R142 PolarHBondContact O-NH2 3.45Å
135K95.6Very high97Very high154 Ų15457.7 Ų57.767%0.6730%0.298SS*.THydrogen-bonded Turntrans-52.2-49.6-177.9-176.2-177176.2-174.60112L131 R142L131-K135 WeakPolarHBondContact O-CA 3.5Å; L131-K135 PolarHBondContact O-N 2.82Å; L131-K135 VanDerWaalsContact O-N 3.13Å; K135-R142 PolarHBondContact O-NH2 3.06Å
136D95.5Very high97Very high149 Ų14957.6 Ų57.680%0.79730%0.297SS*.THydrogen-bonded Turntrans-96.38.2-176.6-54.2-48.1000112.9S134S134-D136 VanDerWaalsContact C-N 3.32Å; S134-D136 PolarHBondContact O-N 3.34Å
137S97Very high96.9Very high26 Ų2656.8 Ų56.818%0.18230%0.296CS..  trans-83.2145.5180-59.30000112.2S134 Q141 R142S134-S137 WeakPolarHBondContact CA-OG 3.34Å; S134-S137 WeakPolarHBondContact O-CB 3.34Å; S134-S137 PolarHBondContact O-N 3.22Å; S134-S137 VanDerWaalsContact O-N 3.12Å; S137-Q141 VanDerWaalsContact CA-OE1 3.26Å; S137-R142 PolarHBondContact O-NE 3.48Å
138T96.2Very high96.7Very high60 Ų6061 Ų6137%0.36833%0.326SS..  trans-67.5163.1168.480.20000111.2E140 Q141 R142T138-E140 WeakPolarHBondContact CB-OE2 3.41Å; T138-E140 PolarHBondContact O-N 2.82Å; T138-E140 PolarHBondContact OG1-N 3.12Å; T138-E140 PolarHBondContact OG1-OE2 3.38Å; T138-Q141 PolarHBondContact O-N 3.01Å; T138-Q141 VanDerWaalsContact O-N 3.15Å; T138-Q141 PolarHBondContact OG1-N 2.94Å; T138-R142 WeakPolarHBondContact O-CG 3.48Å; T138-R142 PolarHBondContact O-N 2.89Å
139P97.1Very high96.5Very high34 Ų3461.3 Ų61.322%0.22133%0.327CS..Hα-helixtrans-54.4-37.3174.1-28.237.3000114.2F96 K98 R142 G143F96-P139 HydrophobicContact CD1-CB 3.6Å; F96-P139 HydrophobicContact CD1-CG 3.7Å; F96-P139 HydrophobicContact CE1-CB 4.11Å; F96-P139 HydrophobicContact CE1-CG 4.47Å; K98-P139 HydrophobicContact CB-CB 4.4Å; K98-P139 WeakPolarHBondContact CB-O 3.31Å; K98-P139 PolarHBondContact N-O 2.87Å; P139-R142 PolarHBondContact O-N 3.4Å; P139-G143 PolarHBondContact O-N 3.34Å
140E97Very high96.3Very high91 Ų9160.8 Ų60.843%0.42533%0.334SS..Hα-helixtrans-68.5-42.8177.2-60.669.7-150.800111.1T138 R142 G143 A144T138-E140 WeakPolarHBondContact CB-OE2 3.41Å; T138-E140 PolarHBondContact O-N 2.82Å; T138-E140 PolarHBondContact OG1-N 3.12Å; T138-E140 PolarHBondContact OG1-OE2 3.38Å; E140-R142 VanDerWaalsContact C-N 3.35Å; E140-G143 WeakPolarHBondContact O-CA 3.4Å; E140-G143 PolarHBondContact O-N 3.39Å; E140-G143 VanDerWaalsContact O-N 3.13Å; E140-A144 PolarHBondContact O-N 3.37Å
141Q97.5Very high96.2Very high100 Ų10065.4 Ų65.447%0.46736%0.355SS..Hα-helixtrans-64-40.5175.5-71.4173.8-23.700111.3S137 T138 G143 A144 L145S137-Q141 VanDerWaalsContact CA-OE1 3.26Å; T138-Q141 PolarHBondContact O-N 3.01Å; T138-Q141 VanDerWaalsContact O-N 3.15Å; T138-Q141 PolarHBondContact OG1-N 2.94Å; Q141-G143 VanDerWaalsContact C-N 3.3Å; Q141-G143 PolarHBondContact O-N 3.03Å; Q141-A144 PolarHBondContact O-N 2.91Å; Q141-L145 WeakPolarHBondContact O-CG 3.32Å; Q141-L145 PolarHBondContact O-N 3.36Å
142R98.2Very high96.1Very high27 Ų2763.7 Ų63.710%0.10235%0.346CS..Hα-helixtrans-59.7-41.7170.5-72.5166.1-177.2168.64111.5F95 F96 V97 F130 S134 K135 S137 T138 P139 E140 L145 M146F95-R142 HydrophobicContact CE2-CG 4.41Å; F96-R142 WeakPolarHBondContact O-CD 3.14Å; F96-R142 PolarHBondContact O-NH1 3.35Å; V97-R142 HydrophobicContact CB-CB 4.38Å; V97-R142 HydrophobicContact CG1-CB 4.11Å; V97-R142 HydrophobicContact CG2-CB 4.05Å; F130-R142 HydrophobicContact CE1-CB 4.47Å; S134-R142 PolarHBondContact O-NE 3.25Å; S134-R142 VanDerWaalsContact O-NE 3.15Å; S134-R142 PolarHBondContact O-NH2 3.45Å; K135-R142 PolarHBondContact O-NH2 3.06Å; S137-R142 PolarHBondContact O-NE 3.48Å; T138-R142 WeakPolarHBondContact O-CG 3.48Å; T138-R142 PolarHBondContact O-N 2.89Å; P139-R142 PolarHBondContact O-N 3.4Å; E140-R142 VanDerWaalsContact C-N 3.35Å; R142-L145 PolarHBondContact O-N 3.34Å; R142-M146 WeakPolarHBondContact O-CB 3.27Å; R142-M146 PolarHBondContact O-N 2.88Å
143G97.3Very high95.9Very high0 Ų058.6 Ų58.60%033%0.327CS..Hα-helixtrans-59-45.317400000112.7K98 T100 P139 E140 Q141 M146 A147K98-G143 WeakPolarHBondContact O-CA 3.38Å; T100-G143 PolarHBondContact OG1-O 2.97Å; P139-G143 PolarHBondContact O-N 3.34Å; E140-G143 WeakPolarHBondContact O-CA 3.4Å; E140-G143 PolarHBondContact O-N 3.39Å; E140-G143 VanDerWaalsContact O-N 3.13Å; Q141-G143 VanDerWaalsContact C-N 3.3Å; Q141-G143 PolarHBondContact O-N 3.03Å; G143-M146 WeakPolarHBondContact O-CB 3.26Å; G143-M146 PolarHBondContact O-N 3.35Å; G143-A147 WeakPolarHBondContact O-CB 3.33Å; G143-A147 PolarHBondContact O-N 3.2Å
144A96.5Very high95.7Very high54 Ų5457.3 Ų57.345%0.44632%0.324SS..Hα-helixtrans-65.6-39.3176.200000113E140 Q141 A147 S148E140-A144 PolarHBondContact O-N 3.37Å; Q141-A144 PolarHBondContact O-N 2.91Å; A144-A147 PolarHBondContact O-N 2.88Å; A144-S148 PolarHBondContact O-N 3.29Å; A144-S148 PolarHBondContact O-OG 2.83Å
145L96.9Very high95.5Very high62 Ų6258.4 Ų58.433%0.32533%0.33SS..Hα-helixtrans-63-42173.4-73.1172000111.6F130 Q141 R142 S148 S149F130-L145 HydrophobicContact CE2-CB 3.96Å; F130-L145 HydrophobicContact CZ-CB 4.02Å; Q141-L145 WeakPolarHBondContact O-CG 3.32Å; Q141-L145 PolarHBondContact O-N 3.36Å; R142-L145 PolarHBondContact O-N 3.34Å; L145-S148 PolarHBondContact O-OG 2.97Å; L145-S149 PolarHBondContact O-N 2.84Å
146M96.5Very high95.4Very high0 Ų051.1 Ų51.10%030%0.298CS..Hα-helixtrans-62.9-48174.5-175.7-156.574.300111.1W16 V101 A104 V108 L111 F130 R142 G143 S148 S149 L152W16-M146 HydrophobicContact CH2-CE 4.26Å; W16-M146 HydrophobicContact CH2-CG 4.38Å; W16-M146 HydrophobicContact CZ3-CE 4.4Å; V101-M146 HydrophobicContact CG2-CE 4.47Å; A104-M146 HydrophobicContact CB-CE 3.84Å; V108-M146 HydrophobicContact CG2-CE 3.87Å; V108-M146 HydrophobicContact CG2-SD 3.51Å; V108-M146 VanDerWaalsContact CG2-SD 3.51Å; L111-M146 HydrophobicContact CD1-CB 4.43Å; L111-M146 HydrophobicContact CD1-CG 3.74Å; L111-M146 HydrophobicContact CD1-SD 3.85Å; F130-M146 HydrophobicContact CZ-CB 4.3Å; R142-M146 WeakPolarHBondContact O-CB 3.27Å; R142-M146 PolarHBondContact O-N 2.88Å; G143-M146 WeakPolarHBondContact O-CB 3.26Å; G143-M146 PolarHBondContact O-N 3.35Å; M146-S148 VanDerWaalsContact C-N 3.26Å; M146-S148 PolarHBondContact O-N 3.36Å; M146-S149 WeakPolarHBondContact O-CB 3.37Å; M146-S149 PolarHBondContact O-N 2.8Å; M146-S149 VanDerWaalsContact O-N 3.11Å; M146-L152 HydrophobicContact CB-CD1 4.2Å; M146-L152 HydrophobicContact CG-CD1 3.46Å; M146-L152 VanDerWaalsContact CG-CD1 3.46Å
147A94.4Very high95.1Very high16 Ų1645.7 Ų45.713%0.13227%0.272CS..Hα-helixtrans-60.7-34.2-177.700000113V101 G143 A144V101-A147 HydrophobicContact CG2-CB 3.4Å; V101-A147 VanDerWaalsContact CG2-CB 3.4Å; G143-A147 WeakPolarHBondContact O-CB 3.33Å; G143-A147 PolarHBondContact O-N 3.2Å; A144-A147 PolarHBondContact O-N 2.88Å
148S93.2Very high94.9Very high89 Ų8950 Ų5062%0.62229%0.288SS*.THydrogen-bonded Turntrans-87.8-2.8178.954.40000114.3A144 L145 M146 A150A144-S148 PolarHBondContact O-N 3.29Å; A144-S148 PolarHBondContact O-OG 2.83Å; L145-S148 PolarHBondContact O-OG 2.97Å; M146-S148 VanDerWaalsContact C-N 3.26Å; M146-S148 PolarHBondContact O-N 3.36Å; S148-A150 PolarHBondContact O-N 3.24Å
149S94.7Very high94.7Very high20 Ų2047.2 Ų47.214%0.1427%0.271CS..  trans-78.5106.1-179.2177.50000111.9L145 M146 E151 L152 I153L145-S149 PolarHBondContact O-N 2.84Å; M146-S149 WeakPolarHBondContact O-CB 3.37Å; M146-S149 PolarHBondContact O-N 2.8Å; M146-S149 VanDerWaalsContact O-N 3.11Å; S149-E151 PolarHBondContact O-N 3.29Å; S149-L152 PolarHBondContact O-N 2.94Å; S149-L152 PolarHBondContact OG-N 3.14Å; S149-I153 VanDerWaalsContact O-CG1 3.29Å; S149-I153 WeakPolarHBondContact O-CG1 3.26Å; S149-I153 PolarHBondContact O-N 3.47Å
150A93.2Very high94.4Very high70 Ų7045.9 Ų45.958%0.57926%0.263SS*.Hα-helixtrans-57.2-33.1173.900000112.8S148 T154S148-A150 PolarHBondContact O-N 3.24Å; A150-T154 WeakPolarHBondContact O-CB 3.45Å; A150-T154 PolarHBondContact O-N 3.37Å; A150-T154 PolarHBondContact O-OG1 2.82Å
151E94.8Very high94.1Very high103 Ų10347 Ų4748%0.48127%0.266SS..Hα-helixtrans-67.1-46177.3-172.8172.1168.600111.4F126 S149 T154 L155F126-E151 HydrophobicContact CD2-CB 4.44Å; F126-E151 VanDerWaalsContact CD2-CD 3.42Å; F126-E151 HydrophobicContact CD2-CG 4.15Å; F126-E151 WeakPolarHBondContact CD2-OE2 3.46Å; F126-E151 HydrophobicContact CE2-CB 4.07Å; F126-E151 HydrophobicContact CE2-CG 4.27Å; S149-E151 PolarHBondContact O-N 3.29Å; E151-T154 PolarHBondContact O-N 3.09Å; E151-L155 HydrophobicContact CG-CD1 4.13Å; E151-L155 WeakPolarHBondContact O-CB 3.48Å; E151-L155 WeakPolarHBondContact O-CG 3.27Å; E151-L155 PolarHBondContact O-N 2.98Å
152L95.5Very high93.7Very high0 Ų045.3 Ų45.30%026%0.26CS..Hα-helixtrans-66.8-41.2177.7-66.7-178.2000112.2W16 L33 M107 L111 F126 M146 S149 T154 L155 Q156W16-L152 HydrophobicContact CH2-CB 4.07Å; L33-L152 HydrophobicContact CD2-CD2 3.6Å; M107-L152 HydrophobicContact CE-CD2 4.32Å; M107-L152 HydrophobicContact CG-CD2 4.49Å; M107-L152 HydrophobicContact SD-CD2 3.89Å; L111-L152 HydrophobicContact CD1-CD1 4.21Å; F126-L152 HydrophobicContact CD1-CD2 3.96Å; F126-L152 HydrophobicContact CE1-CD1 3.78Å; F126-L152 HydrophobicContact CE1-CD2 3.51Å; F126-L152 HydrophobicContact CE1-CG 3.71Å; F126-L152 HydrophobicContact CE2-CD2 4.41Å; F126-L152 HydrophobicContact CE2-CG 4.27Å; F126-L152 HydrophobicContact CZ-CD1 3.79Å; F126-L152 HydrophobicContact CZ-CD2 3.76Å; F126-L152 HydrophobicContact CZ-CG 3.51Å; M146-L152 HydrophobicContact CB-CD1 4.2Å; M146-L152 HydrophobicContact CG-CD1 3.46Å; M146-L152 VanDerWaalsContact CG-CD1 3.46Å; S149-L152 PolarHBondContact O-N 2.94Å; S149-L152 PolarHBondContact OG-N 3.14Å; L152-T154 VanDerWaalsContact C-N 3.3Å; L152-T154 PolarHBondContact O-N 3.44Å; L152-L155 PolarHBondContact O-N 3.22Å; L152-Q156 WeakPolarHBondContact O-CB 3.35Å; L152-Q156 PolarHBondContact O-N 3.49Å
153I92.9Very high93.2Very high58 Ų5844.9 Ų44.930%0.29726%0.264SS..Hα-helixtrans-58.1-45.9175.1-65.9163.1000110.3W16 S149 S157W16-I153 HydrophobicContact CH2-CG1 4.04Å; W16-I153 HydrophobicContact CZ2-CB 4.33Å; W16-I153 HydrophobicContact CZ2-CD1 4.22Å; W16-I153 HydrophobicContact CZ2-CG1 3.25Å; S149-I153 VanDerWaalsContact O-CG1 3.29Å; S149-I153 WeakPolarHBondContact O-CG1 3.26Å; S149-I153 PolarHBondContact O-N 3.47Å; I153-S157 VanDerWaalsContact O-CB 3.3Å; I153-S157 WeakPolarHBondContact O-CB 3.48Å; I153-S157 PolarHBondContact O-N 3.09Å; I153-S157 PolarHBondContact O-OG 2.84Å
154T92.3Very high92.8Very high90 Ų9053.5 Ų53.555%0.55230%0.304SS*.Hα-helixtrans-66.1-45.8180-590000111.1A150 E151 L152 S157 F158A150-T154 WeakPolarHBondContact O-CB 3.45Å; A150-T154 PolarHBondContact O-N 3.37Å; A150-T154 PolarHBondContact O-OG1 2.82Å; E151-T154 PolarHBondContact O-N 3.09Å; L152-T154 VanDerWaalsContact C-N 3.3Å; L152-T154 PolarHBondContact O-N 3.44Å; T154-S157 PolarHBondContact O-N 3.16Å; T154-F158 WeakPolarHBondContact O-CB 3.31Å; T154-F158 PolarHBondContact O-N 2.64Å
155L93.5Very high92.4Very high24 Ų2454.4 Ų54.413%0.12631%0.307CS..Hα-helixtrans-62.9-45.2178.2-76.9174000112L29 K32 L33 M107 E151 L152 F158 A159L29-L155 HydrophobicContact CD2-CB 4.05Å; K32-L155 HydrophobicContact CB-CD1 4.2Å; K32-L155 HydrophobicContact CB-CD2 3.96Å; K32-L155 HydrophobicContact CG-CD2 3.91Å; L33-L155 HydrophobicContact CD2-CD1 3.9Å; L33-L155 HydrophobicContact CG-CD1 4.47Å; M107-L155 HydrophobicContact CE-CB 4.38Å; E151-L155 HydrophobicContact CG-CD1 4.13Å; E151-L155 WeakPolarHBondContact O-CB 3.48Å; E151-L155 WeakPolarHBondContact O-CG 3.27Å; E151-L155 PolarHBondContact O-N 2.98Å; L152-L155 PolarHBondContact O-N 3.22Å; L155-F158 PolarHBondContact O-N 3.03Å; L155-A159 VanDerWaalsContact O-CB 3.27Å; L155-A159 WeakPolarHBondContact O-CB 3.46Å; L155-A159 PolarHBondContact O-N 3.24Å
156Q92.3Very high91.7Very high0 Ų058.1 Ų58.10%032%0.317CS..Hα-helixtrans-62.7-44.6176.2177.4141-19.400111.2W16 P17 L19 N103 M107 L152 F158 A159 A160W16-Q156 HydrophobicContact CB-CG 4.44Å; W16-Q156 HydrophobicContact CE3-CB 4.06Å; W16-Q156 VanDerWaalsContact CE3-CD 3.43Å; W16-Q156 HydrophobicContact CE3-CG 4.04Å; W16-Q156 VanDerWaalsContact CE3-OE1 3.24Å; W16-Q156 HydrophobicContact CZ3-CB 4.38Å; P17-Q156 PolarHBondContact O-NE2 2.68Å; L19-Q156 HydrophobicContact CD2-CG 4.08Å; L19-Q156 HydrophobicContact CG-CG 4.27Å; N103-Q156 PolarHBondContact O-NE2 3.47Å; M107-Q156 HydrophobicContact CE-CB 3.9Å; L152-Q156 WeakPolarHBondContact O-CB 3.35Å; L152-Q156 PolarHBondContact O-N 3.49Å; Q156-F158 VanDerWaalsContact C-N 3.28Å; Q156-F158 PolarHBondContact O-N 3.47Å; Q156-A159 PolarHBondContact O-N 3.33Å; Q156-A160 WeakPolarHBondContact O-CB 3.28Å; Q156-A160 PolarHBondContact O-N 3.31Å
157S91Very high90.9Very high36 Ų3659.2 Ų59.225%0.25232%0.323SS..Hα-helixtrans-63.5-34.4178.7-61.60000113.1I153 T154I153-S157 VanDerWaalsContact O-CB 3.3Å; I153-S157 WeakPolarHBondContact O-CB 3.48Å; I153-S157 PolarHBondContact O-N 3.09Å; I153-S157 PolarHBondContact O-OG 2.84Å; T154-S157 PolarHBondContact O-N 3.16Å
158F91.1Very high89.7Confident116 Ų11660.1 Ų60.151%0.50933%0.326SS..Hα-helixtrans-70.5-50.8172.9174.3-103.9000111.3T154 L155 Q156 A160 K161 L162T154-F158 WeakPolarHBondContact O-CB 3.31Å; T154-F158 PolarHBondContact O-N 2.64Å; L155-F158 PolarHBondContact O-N 3.03Å; Q156-F158 VanDerWaalsContact C-N 3.28Å; Q156-F158 PolarHBondContact O-N 3.47Å; F158-A160 VanDerWaalsContact C-N 3.31Å; F158-A160 PolarHBondContact O-N 3.43Å; F158-K161 WeakPolarHBondContact O-CB 3.49Å; F158-K161 PolarHBondContact O-N 3.13Å; F158-L162 HydrophobicContact CD1-CD1 4.15Å; F158-L162 HydrophobicContact CE1-CD1 3.71Å; F158-L162 HydrophobicContact CE1-CD2 4.1Å; F158-L162 HydrophobicContact CE1-CG 4.19Å; F158-L162 HydrophobicContact CE2-CD2 4.32Å; F158-L162 HydrophobicContact CZ-CD1 4.3Å; F158-L162 HydrophobicContact CZ-CD2 3.85Å; F158-L162 HydrophobicContact CZ-CG 4.43Å
159A92.9Very high88.3Confident1 Ų157.9 Ų57.91%0.00830%0.304CS..Hα-helixtrans-62.6-36.6-177.500000112.7L19 V25 L29 L155 Q156 K161 L162L19-A159 HydrophobicContact CD2-CB 3.69Å; V25-A159 HydrophobicContact CG1-CB 3.91Å; V25-A159 VanDerWaalsContact CG1-O 3.32Å; V25-A159 WeakPolarHBondContact CG1-O 3.29Å; L29-A159 HydrophobicContact CD1-CB 3.83Å; L29-A159 HydrophobicContact CD2-CB 3.61Å; L29-A159 HydrophobicContact CG-CB 3.7Å; L155-A159 VanDerWaalsContact O-CB 3.27Å; L155-A159 WeakPolarHBondContact O-CB 3.46Å; L155-A159 PolarHBondContact O-N 3.24Å; Q156-A159 PolarHBondContact O-N 3.33Å; A159-K161 PolarHBondContact O-N 2.94Å; A159-K161 VanDerWaalsContact O-N 3.1Å; A159-L162 WeakPolarHBondContact O-CB 3.45Å; A159-L162 PolarHBondContact O-N 3.36Å
160A91.1Very high86.4Confident6 Ų659.5 Ų59.55%0.0531%0.307CS..G310 helixtrans-56.1-29174.400000112.6P17 L19 Q156 F158 V167P17-A160 HydrophobicContact CB-CB 3.74Å; P17-A160 HydrophobicContact CG-CB 3.87Å; L19-A160 HydrophobicContact CD2-CB 4.38Å; Q156-A160 WeakPolarHBondContact O-CB 3.28Å; Q156-A160 PolarHBondContact O-N 3.31Å; F158-A160 VanDerWaalsContact C-N 3.31Å; F158-A160 PolarHBondContact O-N 3.43Å; A160-V167 HydrophobicContact CB-CG1 4.02Å; A160-V167 WeakPolarHBondContact O-CG2 3.38Å
161K89.6Confident84.3Confident114 Ų11460.1 Ų60.150%0.49630%0.303SS..G310 helixtrans-84.1-9.6179.2-61172.6-175.3-178.90114.3F158 A159 Y169F158-K161 WeakPolarHBondContact O-CB 3.49Å; F158-K161 PolarHBondContact O-N 3.13Å; A159-K161 PolarHBondContact O-N 2.94Å; A159-K161 VanDerWaalsContact O-N 3.1Å; K161-Y169 WeakPolarHBondContact CE-OH 3.22Å; K161-Y169 WeakPolarHBondContact CG-OH 3.3Å
162L90.5Very high82.1Confident66 Ų6663.7 Ų63.735%0.34632%0.317SS..G310 helixtrans-85.3-16.4-176.5-62.4-179.1000113V25 R28 F158 A159V25-L162 HydrophobicContact CG2-CB 4.03Å; R28-L162 HydrophobicContact CB-CD1 3.83Å; R28-L162 HydrophobicContact CG-CD1 3.82Å; F158-L162 HydrophobicContact CD1-CD1 4.15Å; F158-L162 HydrophobicContact CE1-CD1 3.71Å; F158-L162 HydrophobicContact CE1-CD2 4.1Å; F158-L162 HydrophobicContact CE1-CG 4.19Å; F158-L162 HydrophobicContact CE2-CD2 4.32Å; F158-L162 HydrophobicContact CZ-CD1 4.3Å; F158-L162 HydrophobicContact CZ-CD2 3.85Å; F158-L162 HydrophobicContact CZ-CG 4.43Å; A159-L162 WeakPolarHBondContact O-CB 3.45Å; A159-L162 PolarHBondContact O-N 3.36Å
163G86.4Confident79.6Confident17 Ų1767.3 Ų67.318%0.17534%0.337CS..SBendtrans-63.6167.5177.800000112.6E20E20-G163 WeakPolarHBondContact OE1-CA 3.23Å; E20-G163 WeakPolarHBondContact OE2-CA 3.2Å
164Q89.9Confident77.4Confident182 Ų18269.5 Ų69.585%0.8535%0.349SS*.SBendtrans-87.4-10.8176.969.8-168.718.800112.9E20E20-Q164 PolarHBondContact OE1-N 3.42Å; E20-Q164 VanDerWaalsContact OE1-N 3.09Å; E20-Q164 PolarHBondContact OE2-N 3.15Å
165S87.4Confident75.2Confident73 Ų7369.3 Ų69.351%0.5136%0.356SS..SBendtrans-96.5163.5177.966.90000112.7E20E20-S165 VanDerWaalsContact OE2-CB 3.26Å; E20-S165 WeakPolarHBondContact OE2-CB 3.41Å; E20-S165 PolarHBondContact OE2-N 2.74Å; E20-S165 PolarHBondContact OE2-OG 3.49Å
166R82.8Confident72.8Confident140 Ų14077 Ų7753%0.52839%0.385SS..PPolyproline II helixtrans-68.3135.1174178.9-177.6170.7-170.12.3109.9Q183 I185R166-Q183 PolarHBondContact NH2-O 2.71Å; R166-I185 VanDerWaalsContact CZ-CD1 3.45Å
167V79.1Confident70.2Confident23 Ų2382.7 Ų82.714%0.13942%0.422CS..PPolyproline II helixtrans-80.5134.3175.9-167.20000111.3P17 A160 Y169P17-V167 HydrophobicContact CB-CG1 4.03Å; A160-V167 HydrophobicContact CB-CG1 4.02Å; A160-V167 WeakPolarHBondContact O-CG2 3.38Å; V167-Y169 HydrophobicContact CB-CD2 4.06Å; V167-Y169 HydrophobicContact CB-CE2 3.47Å; V167-Y169 VanDerWaalsContact CB-CE2 3.47Å; V167-Y169 HydrophobicContact CG1-CD2 3.96Å; V167-Y169 HydrophobicContact CG1-CE1 4.06Å; V167-Y169 HydrophobicContact CG1-CE2 3.45Å; V167-Y169 VanDerWaalsContact CG1-CE2 3.45Å; V167-Y169 HydrophobicContact CG1-CG 4.48Å; V167-Y169 VanDerWaalsContact CG1-CZ 3.47Å; V167-Y169 HydrophobicContact CG2-CE2 4.28Å
168I69.5Low67.7Low35 Ų3586.2 Ų86.218%0.17945%0.446CS..PPolyproline II helixtrans-86.9122.1169.3-51.8-176.8000108.5I185 E189I168-I185 HydrophobicContact CG1-CD1 4.13Å; I168-E189 HydrophobicContact CD1-CB 4.41Å
169Y63.3Low65.3Low41 Ų4183.8 Ų83.816%0.16145%0.448CS..  trans-117.7140.3176.3-73.2-77.2000111.2P17 K161 V167 L182P17-Y169 HydrophobicContact CB-CD1 4.23Å; P17-Y169 HydrophobicContact CB-CE1 3.94Å; P17-Y169 HydrophobicContact CG-CE1 4.18Å; K161-Y169 WeakPolarHBondContact CE-OH 3.22Å; K161-Y169 WeakPolarHBondContact CG-OH 3.3Å; V167-Y169 HydrophobicContact CB-CD2 4.06Å; V167-Y169 HydrophobicContact CB-CE2 3.47Å; V167-Y169 VanDerWaalsContact CB-CE2 3.47Å; V167-Y169 HydrophobicContact CG1-CD2 3.96Å; V167-Y169 HydrophobicContact CG1-CE1 4.06Å; V167-Y169 HydrophobicContact CG1-CE2 3.45Å; V167-Y169 VanDerWaalsContact CG1-CE2 3.45Å; V167-Y169 HydrophobicContact CG1-CG 4.48Å; V167-Y169 VanDerWaalsContact CG1-CZ 3.47Å; V167-Y169 HydrophobicContact CG2-CE2 4.28Å; Y169-L182 HydrophobicContact CD2-CB 4.32Å; Y169-L182 HydrophobicContact CD2-CD1 3.62Å; Y169-L182 HydrophobicContact CD2-CD2 4.06Å; Y169-L182 HydrophobicContact CD2-CG 4.2Å; Y169-L182 HydrophobicContact CE2-CD1 3.34Å; Y169-L182 HydrophobicContact CE2-CD2 3.94Å; Y169-L182 HydrophobicContact CE2-CG 4.18Å; Y169-L182 HydrophobicContact CG-CD1 4.46Å
170W56.2Low62.8Low55 Ų5592.7 Ų92.721%0.20849%0.487CS..  trans-96.3114.4169.7-63.773.1000108.3C15 F172 A187C15-W170 HydrophobicContact CB-CG 4.44Å; W170-F172 PolarHBondContact O-N 3.4Å; W170-F172 VanDerWaalsContact O-N 3.11Å; W170-A187 HydrophobicContact CD2-CB 4.47Å; W170-A187 HydrophobicContact CE3-CB 3.49Å; W170-A187 VanDerWaalsContact CE3-CB 3.49Å; W170-A187 HydrophobicContact CH2-CB 4.3Å; W170-A187 WeakPolarHBondContact CH2-O 3.43Å; W170-A187 VanDerWaalsContact CZ3-CA 3.44Å; W170-A187 HydrophobicContact CZ3-CB 3.43Å; W170-A187 VanDerWaalsContact CZ3-CB 3.43Å; W170-A187 WeakPolarHBondContact CZ3-O 3.24Å
171V48.7Very low60.3Low82 Ų8298.4 Ų98.450%0.49752%0.523SS..G310 helixtrans-64.4-18.6-174.3-177.50000112.8N173 A184V171-N173 VanDerWaalsContact C-N 3.35Å; V171-N173 PolarHBondContact O-N 2.76Å; V171-A184 HydrophobicContact CG2-CB 3.17Å
172F47.3Very low58.1Low178 Ų17897.2 Ų97.278%0.78152%0.522SS*.G310 helixtrans-78.7-7.5-167.3-74.7-77.4000116.2W170W170-F172 PolarHBondContact O-N 3.4Å; W170-F172 VanDerWaalsContact O-N 3.11Å
173N44.8Very low55.8Low76 Ų76101.5 Ų101.541%0.40654%0.54SS..G310 helixtrans-126.735.7-177.9-143.7-0000114.4D14 V171 A175D14-N173 PolarHBondContact OD1-ND2 3.06Å; V171-N173 VanDerWaalsContact C-N 3.35Å; V171-N173 PolarHBondContact O-N 2.76Å; N173-A175 PolarHBondContact O-N 2.97Å
174L45.2Very low53.8Low105 Ų105103.4 Ų103.455%0.5555%0.554SS.*  trans-84.891.6169.9-71.7173.5000110.5Y176L174-Y176 PolarHBondContact O-N 3.04Å
175A47Very low51.5Low86 Ų8696 Ų9671%0.71152%0.52SS*.SBendtrans-63.40149.300000112.4N173N173-A175 PolarHBondContact O-N 2.97Å
176Y42Very low49.4Very low186 Ų18698.2 Ų98.273%0.72953%0.526SS*.  trans-133.383.9178.4-76.3-84.6000111.9L174 S178L174-Y176 PolarHBondContact O-N 3.04Å; Y176-S178 VanDerWaalsContact C-N 3.33Å; Y176-S178 PolarHBondContact O-N 3.48Å
177P38.6Very low47.5Very low118 Ų11893.1 Ų93.177%0.76651%0.514SS*.  trans-79.44.6-172.6-12.828.9000116.4
178S38.9Very low45.8Very low110 Ų11099.5 Ų99.577%0.76954%0.542SS*.  trans-114.58.9-157.857.90000118Y176Y176-S178 VanDerWaalsContact C-N 3.33Å; Y176-S178 PolarHBondContact O-N 3.48Å
179A40.4Very low45.1Very low65 Ų65102.7 Ų102.754%0.53756%0.556SS.*SBendtrans-115.751.9-172.300000115.7
180F39.1Very low45.3Very low189 Ų189106 Ų10683%0.82958%0.577SS**  trans100.8146.2170.5-72.7-99.9000117.3L182F180-L182 VanDerWaalsContact C-N 3.32Å; F180-L182 PolarHBondContact O-N 2.86Å
181P38.7Very low46.2Very low126 Ų126105.3 Ų105.382%0.81858%0.578SS**  trans-7784.6175.133.5-31.3000108.7Q183P181-Q183 PolarHBondContact O-N 3.07Å
182L43.8Very low48Very low88 Ų88106.7 Ų106.746%0.46158%0.578SS.*  trans-71127.4163.9-84.3145.5000107.4Y169 F180 A184Y169-L182 HydrophobicContact CD2-CB 4.32Å; Y169-L182 HydrophobicContact CD2-CD1 3.62Å; Y169-L182 HydrophobicContact CD2-CD2 4.06Å; Y169-L182 HydrophobicContact CD2-CG 4.2Å; Y169-L182 HydrophobicContact CE2-CD1 3.34Å; Y169-L182 HydrophobicContact CE2-CD2 3.94Å; Y169-L182 HydrophobicContact CE2-CG 4.18Å; Y169-L182 HydrophobicContact CG-CD1 4.46Å; F180-L182 VanDerWaalsContact C-N 3.32Å; F180-L182 PolarHBondContact O-N 2.86Å; L182-A184 VanDerWaalsContact C-N 3.27Å; L182-A184 PolarHBondContact O-N 3.01Å
183Q43.1Very low50.2Low156 Ų156100.8 Ų100.873%0.72955%0.553SS**  trans-55.1100.7164.7-94.4179.1-11.800107.2R166 P181 I185R166-Q183 PolarHBondContact NH2-O 2.71Å; P181-Q183 PolarHBondContact O-N 3.07Å; Q183-I185 PolarHBondContact O-N 2.95Å
184A44.5Very low52.6Low57 Ų5797.4 Ų97.447%0.47154%0.535SS..  trans-48.2106.7163.100000107.2V171 L182V171-A184 HydrophobicContact CG2-CB 3.17Å; L182-A184 VanDerWaalsContact C-N 3.27Å; L182-A184 PolarHBondContact O-N 3.01Å
185I41.4Very low55.1Low27 Ų2792.7 Ų92.714%0.13851%0.51CS..  trans-68.1137.9160-56.3179.1000104.5R166 I168 Q183 A187 E189R166-I185 VanDerWaalsContact CZ-CD1 3.45Å; I168-I185 HydrophobicContact CG1-CD1 4.13Å; Q183-I185 PolarHBondContact O-N 2.95Å; I185-A187 PolarHBondContact O-N 3.46Å; I185-E189 HydrophobicContact CG2-CB 4.24Å; I185-E189 VanDerWaalsContact CG2-CD 3.48Å; I185-E189 HydrophobicContact CG2-CG 3.85Å
186D42.2Very low57.6Low119 Ų11988.6 Ų88.664%0.63648%0.476SS*.  trans-46.7140.9178-154.7-12.4000109.3Q188 E189D186-Q188 PolarHBondContact O-N 3.18Å; D186-E189 PolarHBondContact O-N 3.27Å
187A44.3Very low60.3Low33 Ų3379.8 Ų79.827%0.27344%0.441SS..THydrogen-bonded Turntrans-68.537-176.500000111.6W170 I185W170-A187 HydrophobicContact CD2-CB 4.47Å; W170-A187 HydrophobicContact CE3-CB 3.49Å; W170-A187 VanDerWaalsContact CE3-CB 3.49Å; W170-A187 HydrophobicContact CH2-CB 4.3Å; W170-A187 WeakPolarHBondContact CH2-O 3.43Å; W170-A187 VanDerWaalsContact CZ3-CA 3.44Å; W170-A187 HydrophobicContact CZ3-CB 3.43Å; W170-A187 VanDerWaalsContact CZ3-CB 3.43Å; W170-A187 WeakPolarHBondContact CZ3-O 3.24Å; I185-A187 PolarHBondContact O-N 3.46Å
188Q43.5Very low63.1Low157 Ų15774.1 Ų74.173%0.73441%0.405SS*.THydrogen-bonded Turntrans-136.8-5.6-174.8-70.6-165.8-4.700113.3D186 D190D186-Q188 PolarHBondContact O-N 3.18Å; Q188-D190 VanDerWaalsContact C-N 3.32Å; Q188-D190 PolarHBondContact O-N 2.79Å
189E53.4Low66Low103 Ų10368.9 Ų68.948%0.48137%0.368SS..  trans-71.795.4166.3-81.4-170.4-173.200108.8I168 I185 D186 V191I168-E189 HydrophobicContact CD1-CB 4.41Å; I185-E189 HydrophobicContact CG2-CB 4.24Å; I185-E189 VanDerWaalsContact CG2-CD 3.48Å; I185-E189 HydrophobicContact CG2-CG 3.85Å; D186-E189 PolarHBondContact O-N 3.27Å; E189-V191 PolarHBondContact O-N 3.2Å
190D68.4Low68.7Low110 Ų11069.3 Ų69.359%0.58836%0.358SS*.  trans-66.5125177.7-94.2-33.1000110.2K102 Q188 F192K102-D190 IonicContact NZ-OD1 3.22Å; K102-D190 PolarHBondContact NZ-OD1 3.28Å; Q188-D190 VanDerWaalsContact C-N 3.32Å; Q188-D190 PolarHBondContact O-N 2.79Å; D190-F192 WeakPolarHBondContact O-CD1 3.39Å; D190-F192 PolarHBondContact O-N 3.36Å; D190-F192 VanDerWaalsContact O-N 3.15Å
191V75.2Confident71.5Confident40 Ų4060.5 Ų60.524%0.24232%0.32CS..  trans-73.7105.2168178.30000106.9P18 N103 E189P18-V191 HydrophobicContact CB-CG1 4.35Å; P18-V191 HydrophobicContact CB-CG2 4.32Å; P18-V191 HydrophobicContact CG-CG2 4.01Å; N103-V191 WeakPolarHBondContact OD1-CB 3.45Å; E189-V191 PolarHBondContact O-N 3.2Å
192F87.3Confident74.3Confident112 Ų11258.1 Ų58.149%0.49131%0.306SS..  trans-95.2-1179.156.3-90.6000113P67 V68 D190P67-F192 CarbonylContact C-O 3.55Å; P67-F192 WeakPolarHBondContact CA-O 3.17Å; P67-F192 HydrophobicContact CB-CD2 4.14Å; V68-F192 WeakPolarHBondContact CB-O 3.34Å; V68-F192 PolarHBondContact N-O 3.23Å; D190-F192 WeakPolarHBondContact O-CD1 3.39Å; D190-F192 PolarHBondContact O-N 3.36Å; D190-F192 VanDerWaalsContact O-N 3.15Å
193H93.2Very high76.7Confident53 Ų5356.9 Ų56.925%0.24530%0.3CS..EExtended strand (participates in β ladder)trans-94.5146.3175.9-63.293.4000112.2L65 F66L65-H193 HydrophobicContact CD1-CB 3.65Å; L65-H193 HydrophobicContact CD2-CB 4.22Å; L65-H193 HydrophobicContact CG-CB 3.99Å; F66-H193 CarbonylContact O-C 3.6Å; F66-H193 VanDerWaalsContact O-CA 3.28Å; F66-H193 WeakPolarHBondContact O-CA 3.5Å
194H95.2Very high79.3Confident6 Ų650.5 Ų50.53%0.02828%0.276CS..EExtended strand (participates in β ladder)trans-137.2139.8-178.5-174.356.9000112.2L65 F66 V68 Q99 C105 D210 R212L65-H194 WeakPolarHBondContact CA-O 3.42Å; F66-H194 VanDerWaalsContact CD1-O 3.3Å; F66-H194 WeakPolarHBondContact CD1-O 3.41Å; F66-H194 WeakPolarHBondContact CE1-O 3.38Å; F66-H194 HydrophobicContact CE2-CB 4.48Å; F66-H194 HydrophobicContact CZ-CB 4.25Å; F66-H194 AromaticContact CZ-CD2 3.77Å; F66-H194 PolarHBondContact N-O 3.28Å; F66-H194 VanDerWaalsContact N-O 3.07Å; F66-H194 PolarHBondContact O-N 3.41Å; V68-H194 HydrophobicContact CG2-CB 3.4Å; Q99-H194 PolarHBondContact OE1-CE1 2.87Å; C105-H194 VanDerWaalsContact CB-CE1 3.46Å; C105-H194 WeakPolarHBondContact CB-CE1 3.5Å; C105-H194 WeakPolarHBondContact CB-ND1 3.36Å; H194-D210 IonicContact CD2-OD1 2.66Å; H194-D210 IonicContact CD2-OD2 3.7Å; H194-D210 IonicContact CE1-OD1 2.69Å; H194-D210 VanDerWaalsContact NE2-CG 3.31Å; H194-D210 IonicContact NE2-OD1 3.45Å; H194-D210 PolarHBondContact NE2-OD1 3.01Å; H194-D210 IonicContact NE2-OD2 3.25Å; H194-D210 PolarHBondContact NE2-OD2 3.37Å; H194-R212 VanDerWaalsContact CE1-CD 3.48Å; H194-R212 WeakPolarHBondContact CE1-CD 3.42Å
195F97.8Very high81.8Confident6 Ų650.7 Ų50.73%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-94.2137.1174.9-79.7-78000111.2S21 F26 L63 L64 L65 C105 A109S21-F195 WeakPolarHBondContact OG-CE1 3.23Å; S21-F195 WeakPolarHBondContact OG-CZ 3.32Å; F26-F195 HydrophobicContact CE2-CE1 4.29Å; F26-F195 AromaticContact CE2-CZ 3.91Å; F26-F195 HydrophobicContact CE2-CZ 3.91Å; F26-F195 AromaticContact CZ-CE1 3.99Å; F26-F195 HydrophobicContact CZ-CE1 3.99Å; F26-F195 HydrophobicContact CZ-CE2 4.19Å; F26-F195 AromaticContact CZ-CZ 3.78Å; F26-F195 HydrophobicContact CZ-CZ 3.78Å; L63-F195 HydrophobicContact CB-CD1 4.43Å; L64-F195 CarbonylContact O-C 3.57Å; L64-F195 VanDerWaalsContact O-CA 3.32Å; L64-F195 WeakPolarHBondContact O-CA 3.47Å; L65-F195 HydrophobicContact CB-CD1 4Å; L65-F195 HydrophobicContact CB-CE1 3.73Å; L65-F195 HydrophobicContact CB-CZ 4.14Å; L65-F195 HydrophobicContact CD1-CD1 4.07Å; L65-F195 HydrophobicContact CD1-CD2 3.66Å; L65-F195 HydrophobicContact CD1-CE1 4.04Å; L65-F195 HydrophobicContact CD1-CE2 3.62Å; L65-F195 HydrophobicContact CD1-CG 3.9Å; L65-F195 HydrophobicContact CD1-CZ 3.82Å; L65-F195 HydrophobicContact CD2-CZ 4.33Å; L65-F195 HydrophobicContact CG-CE1 4.37Å; L65-F195 HydrophobicContact CG-CZ 4.32Å; C105-F195 HydrophobicContact CB-CB 4.19Å; A109-F195 HydrophobicContact CB-CB 3.93Å
196V97.7Very high84.5Confident0 Ų049.5 Ų49.50%026%0.26CS..EExtended strand (participates in β ladder)trans-125.8159.3163.9-64.90000110.3L63 L64 F66 F198 E208 D210 F238L63-V196 WeakPolarHBondContact CA-O 3.36Å; L64-V196 HydrophobicContact CB-CG2 3.93Å; L64-V196 HydrophobicContact CD2-CG2 4.4Å; L64-V196 PolarHBondContact N-O 2.94Å; L64-V196 PolarHBondContact O-N 3.19Å; F66-V196 HydrophobicContact CD1-CG2 4.31Å; F66-V196 HydrophobicContact CE1-CB 4.23Å; F66-V196 HydrophobicContact CE1-CG1 3.61Å; F66-V196 HydrophobicContact CE1-CG2 3.74Å; F66-V196 HydrophobicContact CZ-CG1 4.03Å; V196-F198 HydrophobicContact CG2-CE2 3.99Å; V196-E208 HydrophobicContact CB-CG 4.48Å; V196-D210 HydrophobicContact CG1-CB 3.57Å; V196-F238 HydrophobicContact CG2-CE1 4.35Å; V196-F238 HydrophobicContact CG2-CZ 4.15Å
197C98.8Very high87.2Confident0 Ų044 Ų440%023%0.231CC..EExtended strand (participates in β ladder)trans-120.6131.7-178.4-177.10000110.7V62 L63 A109 H112 L209V62-C197 CarbonylContact O-C 3.5Å; V62-C197 WeakPolarHBondContact O-CA 3.3Å; L63-C197 HydrophobicContact CD2-CB 3.98Å; A109-C197 HydrophobicContact CB-CB 4.12Å; A109-C197 PolarHBondContact O-SG 3.3Å; H112-C197 HydrophobicContact CB-CB 3.91Å; C197-L209 HydrophobicContact CB-CB 4.42Å; C197-L209 PolarHBondContact N-O 2.91Å; C197-L209 PolarHBondContact O-N 3.33Å
198F98.8Very high89.7Confident0 Ų042.5 Ų42.50%022%0.218CC..EExtended strand (participates in β ladder)trans-102133.3169.4-66.4-90.9000109.8A61 V62 L64 V196 L206 Y207 E208 H219 F227 A231 Q234 F238A61-F198 VanDerWaalsContact CA-O 3.28Å; A61-F198 WeakPolarHBondContact CA-O 3.28Å; V62-F198 HydrophobicContact CB-CB 4.26Å; V62-F198 PolarHBondContact N-O 3.12Å; V62-F198 VanDerWaalsContact N-O 3.09Å; V62-F198 PolarHBondContact O-N 3.19Å; L64-F198 HydrophobicContact CB-CE2 4.18Å; L64-F198 HydrophobicContact CD2-CE2 4.31Å; V196-F198 HydrophobicContact CG2-CE2 3.99Å; F198-L206 HydrophobicContact CB-CD1 4.21Å; F198-L206 HydrophobicContact CD1-CD1 4.28Å; F198-L206 HydrophobicContact CD1-CG 4.47Å; F198-Y207 VanDerWaalsContact CA-O 3.27Å; F198-Y207 WeakPolarHBondContact CA-O 3.48Å; F198-E208 HydrophobicContact CD1-CB 3.98Å; F198-E208 HydrophobicContact CD1-CG 4.43Å; F198-E208 HydrophobicContact CE1-CB 3.62Å; F198-E208 HydrophobicContact CE1-CG 3.82Å; F198-E208 HydrophobicContact CZ-CB 4.21Å; F198-E208 HydrophobicContact CZ-CG 3.87Å; F198-H219 AromaticContact CE1-CD2 3.98Å; F198-H219 AromaticContact CE1-NE2 3.98Å; F198-F227 HydrophobicContact CB-CZ 4.46Å; F198-F227 WeakPolarHBondContact O-CZ 3.46Å; F198-A231 HydrophobicContact CB-CB 3.97Å; F198-A231 HydrophobicContact CG-CB 4.28Å; F198-Q234 HydrophobicContact CD1-CB 4.39Å; F198-Q234 HydrophobicContact CE1-CB 3.57Å; F198-Q234 HydrophobicContact CE1-CG 4.2Å; F198-Q234 HydrophobicContact CZ-CB 3.98Å; F198-F238 AromaticContact CZ-CE2 3.87Å; F198-F238 HydrophobicContact CZ-CE2 3.87Å; F198-F238 HydrophobicContact CZ-CZ 4.27Å
199V98.8Very high92.3Very high0 Ų035 Ų350%018%0.183CC..EExtended strand (participates in β ladder)trans-142.8155.2177.5-64.50000111.4A61 N116 Y207 L209A61-V199 HydrophobicContact CB-CG1 4.07Å; N116-V199 HydrophobicContact CB-CB 4.2Å; N116-V199 HydrophobicContact CB-CG1 4.2Å; N116-V199 HydrophobicContact CB-CG2 3.99Å; V199-Y207 PolarHBondContact N-O 3Å; V199-Y207 PolarHBondContact O-N 3.24Å; V199-L209 HydrophobicContact CG2-CD1 3.53Å; V199-L209 HydrophobicContact CG2-CG 4.15Å
200K98.3Very high94.4Very high74 Ų7430.2 Ų30.232%0.32216%0.161SC..EExtended strand (participates in β ladder)trans-86.6122.8168.4173.6177.2173.3-63.40109.8K205 T222 F227K200-K205 CarbonylContact C-O 3.58Å; K200-K205 WeakPolarHBondContact CA-O 3.23Å; K200-T222 HydrophobicContact CB-CG2 3.89Å; K200-T222 HydrophobicContact CD-CG2 4.13Å; K200-T222 HydrophobicContact CG-CG2 3.71Å; K200-F227 HydrophobicContact CB-CD2 3.92Å; K200-F227 HydrophobicContact CB-CE2 4.44Å
201G97.5Very high95.7Very high4 Ų425.1 Ų25.14%0.04113%0.134CC..  trans-70.7162.6171.800000113.3D203 G204 K205G201-D203 PolarHBondContact O-N 3.23Å; G201-G204 PolarHBondContact O-N 3.39Å; G201-K205 PolarHBondContact N-O 3.33Å
202S96.4Very high96.6Very high75 Ų7528.3 Ų28.352%0.52414%0.142SC..THydrogen-bonded Turntrans-62.7-27174.756.90000112.8D93 G204D93-S202 VanDerWaalsContact CG-OG 3.23Å; D93-S202 PolarHBondContact OD1-OG 3.25Å; D93-S202 WeakPolarHBondContact OD2-CB 3.34Å; D93-S202 PolarHBondContact OD2-OG 3.18Å; S202-G204 PolarHBondContact O-N 3.06Å
203D95.9Very high96.9Very high63 Ų6323 Ų2334%0.33712%0.118SC..THydrogen-bonded Turntrans-79.63.5174.273.7-24000113.9P91 G201 K205 Y207P91-D203 HydrophobicContact CG-CB 3.96Å; G201-D203 PolarHBondContact O-N 3.23Å; D203-K205 PolarHBondContact OD1-N 3.1Å; D203-K205 WeakPolarHBondContact OD2-CD 3.4Å; D203-K205 WeakPolarHBondContact OD2-CE 3.38Å; D203-K205 WeakPolarHBondContact OD2-CG 3.04Å; D203-K205 IonicContact OD2-NZ 2.86Å; D203-K205 PolarHBondContact OD2-NZ 3.44Å; D203-Y207 WeakPolarHBondContact OD1-CE2 3.43Å; D203-Y207 PolarHBondContact OD2-OH 2.74Å; D203-Y207 VanDerWaalsContact OD2-OH 3.11Å
204G97.2Very high96.8Very high21 Ų2124.6 Ų24.622%0.21613%0.131CC..SBendtrans7429.5179.200000113.4G201 S202 P221 T222G201-G204 PolarHBondContact O-N 3.39Å; S202-G204 PolarHBondContact O-N 3.06Å; G204-P221 CarbonylContact O-C 3.56Å; G204-P221 WeakPolarHBondContact O-CA 3.34Å; G204-T222 CarbonylContact C-O 3.54Å; G204-T222 PolarHBondContact O-N 3.32Å
205K97.2Very high96.7Very high61 Ų6124.8 Ų24.827%0.26513%0.134SC..EExtended strand (participates in β ladder)trans-113153.7173.7-59.6-169.3-163.9115.30112.8K200 G201 D203 Y207 C218 G220 T222K200-K205 CarbonylContact C-O 3.58Å; K200-K205 WeakPolarHBondContact CA-O 3.23Å; G201-K205 PolarHBondContact N-O 3.33Å; D203-K205 PolarHBondContact OD1-N 3.1Å; D203-K205 WeakPolarHBondContact OD2-CD 3.4Å; D203-K205 WeakPolarHBondContact OD2-CE 3.38Å; D203-K205 WeakPolarHBondContact OD2-CG 3.04Å; D203-K205 IonicContact OD2-NZ 2.86Å; D203-K205 PolarHBondContact OD2-NZ 3.44Å; K205-Y207 HydrophobicContact CB-CE2 3.87Å; K205-Y207 WeakPolarHBondContact O-CD2 3.4Å; K205-C218 WeakPolarHBondContact CD-SG 3.48Å; K205-G220 CarbonylContact C-O 3.13Å; K205-G220 WeakPolarHBondContact CA-O 3.04Å; K205-G220 VanDerWaalsContact CB-O 3.3Å; K205-G220 WeakPolarHBondContact CB-O 3.36Å; K205-T222 VanDerWaalsContact C-CG2 3.48Å
206L98Very high96.5Very high3 Ų324.9 Ų24.92%0.01614%0.135CC..EExtended strand (participates in β ladder)trans-83.3126.7174178.564.4000109.4F198 C218 H219 G220 T222 F227 D230 A231 Q234F198-L206 HydrophobicContact CB-CD1 4.21Å; F198-L206 HydrophobicContact CD1-CD1 4.28Å; F198-L206 HydrophobicContact CD1-CG 4.47Å; L206-C218 WeakPolarHBondContact O-CA 3.34Å; L206-H219 HydrophobicContact CB-CB 4.17Å; L206-H219 HydrophobicContact CD2-CB 3.89Å; L206-H219 HydrophobicContact CG-CB 4.09Å; L206-H219 PolarHBondContact O-N 3.48Å; L206-G220 PolarHBondContact N-O 2.97Å; L206-T222 HydrophobicContact CB-CG2 3.9Å; L206-F227 HydrophobicContact CD1-CD2 4Å; L206-F227 HydrophobicContact CD1-CE2 3.65Å; L206-D230 HydrophobicContact CD2-CB 4.07Å; L206-A231 HydrophobicContact CD1-CB 4.2Å; L206-Q234 HydrophobicContact CD2-CG 3.73Å
207Y97.6Very high96.3Very high4 Ų425.2 Ų25.22%0.01614%0.137CC..EExtended strand (participates in β ladder)trans-117.2132176.6-71.5-80.2000111F90 P91 L94 F198 V199 D203 K205 P216 L217 C218F90-Y207 HydrophobicContact CD1-CD1 4.46Å; F90-Y207 AromaticContact CD1-CE1 3.68Å; F90-Y207 HydrophobicContact CD1-CE1 3.68Å; F90-Y207 AromaticContact CE1-CE1 3.96Å; F90-Y207 HydrophobicContact CE1-CE1 3.96Å; P91-Y207 WeakPolarHBondContact CD-OH 3.49Å; P91-Y207 HydrophobicContact CG-CE2 4.43Å; L94-Y207 HydrophobicContact CD1-CD1 4.48Å; L94-Y207 HydrophobicContact CD1-CD2 3.76Å; L94-Y207 HydrophobicContact CD1-CE2 4.19Å; L94-Y207 HydrophobicContact CD1-CG 3.92Å; L94-Y207 HydrophobicContact CD2-CD1 3.8Å; L94-Y207 HydrophobicContact CD2-CD2 4.39Å; L94-Y207 HydrophobicContact CD2-CE1 3.84Å; L94-Y207 HydrophobicContact CD2-CE2 4.43Å; L94-Y207 HydrophobicContact CD2-CG 4.07Å; F198-Y207 VanDerWaalsContact CA-O 3.27Å; F198-Y207 WeakPolarHBondContact CA-O 3.48Å; V199-Y207 PolarHBondContact N-O 3Å; V199-Y207 PolarHBondContact O-N 3.24Å; D203-Y207 WeakPolarHBondContact OD1-CE2 3.43Å; D203-Y207 PolarHBondContact OD2-OH 2.74Å; D203-Y207 VanDerWaalsContact OD2-OH 3.11Å; K205-Y207 HydrophobicContact CB-CE2 3.87Å; K205-Y207 WeakPolarHBondContact O-CD2 3.4Å; Y207-P216 HydrophobicContact CD1-CB 4.08Å; Y207-L217 CarbonylContact C-O 3.51Å; Y207-L217 WeakPolarHBondContact CA-O 3.35Å; Y207-C218 HydrophobicContact CD1-CB 4.04Å; Y207-C218 HydrophobicContact CE1-CB 3.62Å
208E97.6Very high96.1Very high0 Ų026.7 Ų26.70%015%0.146CC..EExtended strand (participates in β ladder)trans-95.2122163.3179.8-168.914200108.9V196 F198 K213 L217 H219 R241V196-E208 HydrophobicContact CB-CG 4.48Å; F198-E208 HydrophobicContact CD1-CB 3.98Å; F198-E208 HydrophobicContact CD1-CG 4.43Å; F198-E208 HydrophobicContact CE1-CB 3.62Å; F198-E208 HydrophobicContact CE1-CG 3.82Å; F198-E208 HydrophobicContact CZ-CB 4.21Å; F198-E208 HydrophobicContact CZ-CG 3.87Å; E208-K213 IonicContact OE1-NZ 3.27Å; E208-K213 PolarHBondContact OE1-NZ 3.33Å; E208-L217 HydrophobicContact CB-CB 4.25Å; E208-L217 PolarHBondContact N-O 3.31Å; E208-L217 PolarHBondContact O-N 2.99Å; E208-H219 VanDerWaalsContact CB-NE2 3.32Å; E208-H219 WeakPolarHBondContact CB-NE2 3.5Å; E208-H219 IonicContact OE2-CD2 3.72Å; E208-H219 IonicContact OE2-CE1 3.74Å; E208-H219 PolarHBondContact OE2-CE1 3.23Å; E208-H219 IonicContact OE2-NE2 3.58Å; E208-H219 PolarHBondContact OE2-NE2 3.02Å; E208-R241 IonicContact OE2-NH1 2.71Å
209L98Very high95.8Very high1 Ų129 Ų291%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-112.6109.1-176.8-53.1179.6000108.5F96 H112 N116 C197 V199 P216F96-L209 HydrophobicContact CD2-CB 4.33Å; F96-L209 HydrophobicContact CD2-CD2 4.06Å; H112-L209 HydrophobicContact CB-CB 4.08Å; H112-L209 HydrophobicContact CB-CD1 3.7Å; H112-L209 WeakPolarHBondContact ND1-CB 3.38Å; N116-L209 VanDerWaalsContact ND2-CD1 3.29Å; N116-L209 WeakPolarHBondContact ND2-CD1 3.04Å; C197-L209 HydrophobicContact CB-CB 4.42Å; C197-L209 PolarHBondContact N-O 2.91Å; C197-L209 PolarHBondContact O-N 3.33Å; V199-L209 HydrophobicContact CG2-CD1 3.53Å; V199-L209 HydrophobicContact CG2-CG 4.15Å; L209-P216 HydrophobicContact CD2-CB 3.64Å; L209-P216 HydrophobicContact CD2-CG 3.75Å
210D96.8Very high95.6Very high2 Ų230 Ų301%0.01117%0.167CC..  trans-121.2113.7177.5-178.3-16.4000108.7Y72 F96 H194 V196 R212 K213Y72-D210 PolarHBondContact OH-OD2 3.35Å; F96-D210 WeakPolarHBondContact CE2-O 3.46Å; F96-D210 VanDerWaalsContact CZ-O 3.29Å; F96-D210 WeakPolarHBondContact CZ-O 3.3Å; H194-D210 IonicContact CD2-OD1 2.66Å; H194-D210 IonicContact CD2-OD2 3.7Å; H194-D210 IonicContact CE1-OD1 2.69Å; H194-D210 VanDerWaalsContact NE2-CG 3.31Å; H194-D210 IonicContact NE2-OD1 3.45Å; H194-D210 PolarHBondContact NE2-OD1 3.01Å; H194-D210 IonicContact NE2-OD2 3.25Å; H194-D210 PolarHBondContact NE2-OD2 3.37Å; V196-D210 HydrophobicContact CG1-CB 3.57Å; D210-R212 PolarHBondContact O-N 3.42Å; D210-R212 WeakPolarHBondContact OD1-CA 3.33Å; D210-R212 VanDerWaalsContact OD1-CB 3.3Å; D210-R212 WeakPolarHBondContact OD1-CB 3.5Å; D210-R212 PolarHBondContact OD1-N 3Å; D210-K213 HydrophobicContact CB-CB 4.15Å; D210-K213 HydrophobicContact CB-CD 3.71Å; D210-K213 HydrophobicContact CB-CG 3.71Å; D210-K213 PolarHBondContact O-N 3.08Å; D210-K213 VanDerWaalsContact OD2-CE 3.24Å; D210-K213 WeakPolarHBondContact OD2-CE 3.4Å
211G96.8Very high95.5Very high2 Ų232.1 Ų32.12%0.02119%0.188CC..THydrogen-bonded Turntrans-60.2-17.4178.600000114.5K98 Q99K98-G211 WeakPolarHBondContact CD-O 3.46Å; K98-G211 PolarHBondContact NZ-O 2.97Å; Q99-G211 PolarHBondContact N-O 2.81Å
212R94.3Very high95.6Very high108 Ų10832.4 Ų32.441%0.40819%0.19SC..THydrogen-bonded Turntrans-84.6-18.7174.3-62.9-176.867.9-145.2-7.6113E73 K98 H194 D210E73-R212 IonicContact OE1-CZ 2.7Å; E73-R212 VanDerWaalsContact OE1-CZ 3.22Å; E73-R212 IonicContact OE1-NH1 3.96Å; E73-R212 PolarHBondContact OE1-NH1 3.26Å; E73-R212 IonicContact OE1-NH2 3.83Å; E73-R212 PolarHBondContact OE1-NH2 3.45Å; E73-R212 IonicContact OE2-NH2 3.3Å; K98-R212 PolarHBondContact NZ-O 3.18Å; H194-R212 VanDerWaalsContact CE1-CD 3.48Å; H194-R212 WeakPolarHBondContact CE1-CD 3.42Å; D210-R212 PolarHBondContact O-N 3.42Å; D210-R212 WeakPolarHBondContact OD1-CA 3.33Å; D210-R212 VanDerWaalsContact OD1-CB 3.3Å; D210-R212 WeakPolarHBondContact OD1-CB 3.5Å; D210-R212 PolarHBondContact OD1-N 3Å
213K93.4Very high95.6Very high1 Ų130.8 Ų30.80%0.00418%0.181CC..SBendtrans-80.9155.1174.1-64.7-178.6-164.9-174.90112.7Y72 C76 Q80 K98 E208 D210 S215 L217Y72-K213 WeakPolarHBondContact OH-CE 3.46Å; C76-K213 WeakPolarHBondContact SG-CE 3.23Å; Q80-K213 HydrophobicContact CG-CB 4.48Å; Q80-K213 HydrophobicContact CG-CD 4.32Å; Q80-K213 HydrophobicContact CG-CG 4.33Å; K98-K213 WeakPolarHBondContact CD-O 3.49Å; K98-K213 WeakPolarHBondContact CE-O 3.46Å; K98-K213 VanDerWaalsContact NZ-C 3.33Å; K98-K213 PolarHBondContact NZ-O 2.99Å; E208-K213 IonicContact OE1-NZ 3.27Å; E208-K213 PolarHBondContact OE1-NZ 3.33Å; D210-K213 HydrophobicContact CB-CB 4.15Å; D210-K213 HydrophobicContact CB-CD 3.71Å; D210-K213 HydrophobicContact CB-CG 3.71Å; D210-K213 PolarHBondContact O-N 3.08Å; D210-K213 VanDerWaalsContact OD2-CE 3.24Å; D210-K213 WeakPolarHBondContact OD2-CE 3.4Å; K213-S215 VanDerWaalsContact C-N 3.29Å; K213-L217 HydrophobicContact CD-CD1 3.97Å; K213-L217 HydrophobicContact CD-CG 4.11Å
214T90.8Very high95.6Very high85 Ų8533.8 Ų33.852%0.52119%0.191SC..SBendtrans-70.7-26177.852.60000112.4Q80Q80-T214 PolarHBondContact NE2-OG1 2.84Å
215S92.5Very high95.5Very high11 Ų1138.2 Ų38.28%0.07722%0.218CC..SBendtrans-151.9162.9179.363.80000110.8K213K213-S215 VanDerWaalsContact C-N 3.29Å
216P94.7Very high95.5Very high7 Ų737.6 Ų37.65%0.04522%0.22CC..  trans-52.6153.1163.2-27.638000112.4F90 L94 F96 Y207 L209F90-P216 HydrophobicContact CD1-CB 4.3Å; F90-P216 HydrophobicContact CE1-CB 3.86Å; F90-P216 HydrophobicContact CE1-CG 4.4Å; F90-P216 HydrophobicContact CZ-CB 4.15Å; F90-P216 HydrophobicContact CZ-CG 4.47Å; F90-P216 WeakPolarHBondContact CZ-O 3.42Å; L94-P216 HydrophobicContact CD2-CB 3.96Å; L94-P216 HydrophobicContact CD2-CG 3.74Å; F96-P216 HydrophobicContact CB-CG 4.11Å; F96-P216 HydrophobicContact CD1-CG 4.3Å; F96-P216 HydrophobicContact CD2-CG 4.01Å; F96-P216 HydrophobicContact CG-CG 3.89Å; Y207-P216 HydrophobicContact CD1-CB 4.08Å; L209-P216 HydrophobicContact CD2-CB 3.64Å; L209-P216 HydrophobicContact CD2-CG 3.75Å
217L93.3Very high95.4Very high8 Ų837.6 Ų37.64%0.04222%0.22CC..EExtended strand (participates in β ladder)trans-106.7124165.5-60.7-179.7000109.3M79 Q80 Y207 E208 K213M79-L217 HydrophobicContact CB-CD1 4.49Å; Q80-L217 HydrophobicContact CG-CD2 4.47Å; Y207-L217 CarbonylContact C-O 3.51Å; Y207-L217 WeakPolarHBondContact CA-O 3.35Å; E208-L217 HydrophobicContact CB-CB 4.25Å; E208-L217 PolarHBondContact N-O 3.31Å; E208-L217 PolarHBondContact O-N 2.99Å; K213-L217 HydrophobicContact CD-CD1 3.97Å; K213-L217 HydrophobicContact CD-CG 4.11Å
218C94.2Very high95.4Very high30 Ų3039.2 Ų39.220%0.20323%0.228CC..EExtended strand (participates in β ladder)trans-89.3124.1172-173.10000110.1Q87 K205 L206 Y207Q87-C218 HydrophobicContact CG-CB 4.4Å; K205-C218 WeakPolarHBondContact CD-SG 3.48Å; L206-C218 WeakPolarHBondContact O-CA 3.34Å; Y207-C218 HydrophobicContact CD1-CB 4.04Å; Y207-C218 HydrophobicContact CE1-CB 3.62Å
219H93.7Very high95.4Very high50 Ų5042.2 Ų42.223%0.23125%0.249CC..EExtended strand (participates in β ladder)trans-99.37.5-179.4-70.5-61.8000113.4F198 L206 E208 Q234F198-H219 AromaticContact CE1-CD2 3.98Å; F198-H219 AromaticContact CE1-NE2 3.98Å; L206-H219 HydrophobicContact CB-CB 4.17Å; L206-H219 HydrophobicContact CD2-CB 3.89Å; L206-H219 HydrophobicContact CG-CB 4.09Å; L206-H219 PolarHBondContact O-N 3.48Å; E208-H219 VanDerWaalsContact CB-NE2 3.32Å; E208-H219 WeakPolarHBondContact CB-NE2 3.5Å; E208-H219 IonicContact OE2-CD2 3.72Å; E208-H219 IonicContact OE2-CE1 3.74Å; E208-H219 PolarHBondContact OE2-CE1 3.23Å; E208-H219 IonicContact OE2-NE2 3.58Å; E208-H219 PolarHBondContact OE2-NE2 3.02Å; H219-Q234 HydrophobicContact CB-CG 3.99Å; H219-Q234 PolarHBondContact CE1-OE1 3.15Å; H219-Q234 PolarHBondContact ND1-OE1 3.44Å
220G94Very high95.4Very high20 Ų2043.8 Ų43.821%0.20626%0.258CS..EExtended strand (participates in β ladder)trans100.5-170.6178.300000113.6K205 L206K205-G220 CarbonylContact C-O 3.13Å; K205-G220 WeakPolarHBondContact CA-O 3.04Å; K205-G220 VanDerWaalsContact CB-O 3.3Å; K205-G220 WeakPolarHBondContact CB-O 3.36Å; L206-G220 PolarHBondContact N-O 2.97Å
221P96.8Very high95.4Very high118 Ų11843.7 Ų43.777%0.76626%0.257SS*.EExtended strand (participates in β ladder)trans-63.6145.5-175.1-21.733.9000113.3G204G204-P221 CarbonylContact O-C 3.56Å; G204-P221 WeakPolarHBondContact O-CA 3.34Å
222T98.2Very high95.4Very high11 Ų1143.8 Ų43.87%0.06726%0.257CS..  trans-150.6150.1171.4-169.10000111K200 G204 K205 L206 F227 D230K200-T222 HydrophobicContact CB-CG2 3.89Å; K200-T222 HydrophobicContact CD-CG2 4.13Å; K200-T222 HydrophobicContact CG-CG2 3.71Å; G204-T222 CarbonylContact C-O 3.54Å; G204-T222 PolarHBondContact O-N 3.32Å; K205-T222 VanDerWaalsContact C-CG2 3.48Å; L206-T222 HydrophobicContact CB-CG2 3.9Å; T222-F227 WeakPolarHBondContact OG1-CA 3.48Å; T222-D230 WeakPolarHBondContact CA-OD2 3.24Å; T222-D230 VanDerWaalsContact CB-OD2 3.27Å; T222-D230 WeakPolarHBondContact CB-OD2 3.37Å; T222-D230 PolarHBondContact OG1-OD2 2.9Å
223A97.3Very high95.5Very high41 Ų4144.2 Ų44.234%0.33926%0.264SS..  trans-113.3163.2175.100000110.6S225 T226 F227A223-S225 PolarHBondContact O-N 3.38Å; A223-S225 VanDerWaalsContact O-N 3.16Å; A223-T226 PolarHBondContact N-OG1 3.41Å; A223-T226 CarbonylContact O-C 3.36Å; A223-T226 PolarHBondContact O-N 3.37Å; A223-T226 PolarHBondContact O-OG1 2.9Å; A223-F227 WeakPolarHBondContact O-CA 3.44Å; A223-F227 WeakPolarHBondContact O-CB 3.06Å; A223-F227 PolarHBondContact O-N 3.21Å
224K95.2Very high95.6Very high126 Ų12645.3 Ų45.355%0.54827%0.269SS..THydrogen-bonded Turntrans-55-35.8175-175.8174.7173.6171.90112E58E58-K224 WeakPolarHBondContact OE1-CE 3.35Å; E58-K224 IonicContact OE1-NZ 3.49Å; E58-K224 PolarHBondContact OE1-NZ 3.35Å; E58-K224 VanDerWaalsContact OE2-CE 3.25Å; E58-K224 WeakPolarHBondContact OE2-CE 3.5Å; E58-K224 IonicContact OE2-NZ 2.6Å; E58-K224 PolarHBondContact OE2-NZ 3.18Å
225S94.9Very high95.8Very high113 Ų11341.3 Ų41.379%0.7924%0.244SC*.THydrogen-bonded Turntrans-78.7-19178.955.70000114.9A223A223-S225 PolarHBondContact O-N 3.38Å; A223-S225 VanDerWaalsContact O-N 3.16Å
226T96.4Very high95.8Very high49 Ų4945.9 Ų45.930%0.30126%0.26SS..THydrogen-bonded Turntrans-111.8-7.5-178.965.70000112.7A223 L228 S229 D230A223-T226 PolarHBondContact N-OG1 3.41Å; A223-T226 CarbonylContact O-C 3.36Å; A223-T226 PolarHBondContact O-N 3.37Å; A223-T226 PolarHBondContact O-OG1 2.9Å; T226-L228 VanDerWaalsContact C-N 3.3Å; T226-L228 PolarHBondContact O-N 2.98Å; T226-S229 PolarHBondContact O-N 3.46Å; T226-S229 PolarHBondContact O-OG 3.38Å; T226-D230 VanDerWaalsContact CB-OD2 3.3Å; T226-D230 WeakPolarHBondContact CB-OD2 3.46Å; T226-D230 PolarHBondContact O-N 3.15Å; T226-D230 PolarHBondContact OG1-OD2 3.47Å
227F97.9Very high95.7Very high3 Ų349 Ų491%0.01327%0.274CS..Hα-helixtrans-50.1-48.2-174.6169.3-102.3000113.1V59 V62 F198 K200 L206 T222 A223 D230 A231V59-F227 HydrophobicContact CB-CD1 4.32Å; V59-F227 HydrophobicContact CB-CE1 4.48Å; V59-F227 HydrophobicContact CG1-CD1 4.33Å; V59-F227 HydrophobicContact CG1-CE1 4.01Å; V59-F227 WeakPolarHBondContact O-CD1 3.2Å; V62-F227 HydrophobicContact CG2-CE1 4.16Å; V62-F227 HydrophobicContact CG2-CZ 4.41Å; F198-F227 HydrophobicContact CB-CZ 4.46Å; F198-F227 WeakPolarHBondContact O-CZ 3.46Å; K200-F227 HydrophobicContact CB-CD2 3.92Å; K200-F227 HydrophobicContact CB-CE2 4.44Å; L206-F227 HydrophobicContact CD1-CD2 4Å; L206-F227 HydrophobicContact CD1-CE2 3.65Å; T222-F227 WeakPolarHBondContact OG1-CA 3.48Å; A223-F227 WeakPolarHBondContact O-CA 3.44Å; A223-F227 WeakPolarHBondContact O-CB 3.06Å; A223-F227 PolarHBondContact O-N 3.21Å; F227-D230 PolarHBondContact O-N 3.37Å; F227-A231 HydrophobicContact CE2-CB 4.38Å; F227-A231 HydrophobicContact CZ-CB 4.34Å; F227-A231 VanDerWaalsContact O-CB 3.24Å; F227-A231 WeakPolarHBondContact O-CB 3.3Å; F227-A231 PolarHBondContact O-N 3.49Å
228L97.6Very high95.6Very high38 Ų3848.6 Ų48.620%0.19927%0.272CS..Hα-helixtrans-61.5-49.9179.517963.3000111.3I44 L52 L55 V59 V62 T226 D230 A231 L232I44-L228 HydrophobicContact CD1-CD1 4.39Å; L52-L228 HydrophobicContact CD1-CD2 4.24Å; L55-L228 HydrophobicContact CD1-CD1 4.47Å; L55-L228 HydrophobicContact CD1-CD2 3.91Å; V59-L228 HydrophobicContact CB-CB 4.42Å; V59-L228 HydrophobicContact CG1-CD1 4.27Å; V59-L228 HydrophobicContact CG2-CB 4.35Å; V59-L228 HydrophobicContact CG2-CD1 4.27Å; V59-L228 HydrophobicContact CG2-CD2 4.05Å; V59-L228 HydrophobicContact CG2-CG 4.45Å; V62-L228 HydrophobicContact CG2-CD1 4.07Å; T226-L228 VanDerWaalsContact C-N 3.3Å; T226-L228 PolarHBondContact O-N 2.98Å; L228-D230 VanDerWaalsContact C-N 3.32Å; L228-D230 PolarHBondContact O-N 3.41Å; L228-A231 PolarHBondContact O-N 3.13Å; L228-L232 HydrophobicContact CD1-CD1 3.79Å; L228-L232 HydrophobicContact CD1-CD2 4.47Å; L228-L232 HydrophobicContact CD1-CG 3.95Å; L228-L232 HydrophobicContact CG-CD1 3.93Å; L228-L232 HydrophobicContact CG-CG 4.38Å; L228-L232 WeakPolarHBondContact O-CB 3.29Å; L228-L232 WeakPolarHBondContact O-CG 3.45Å; L228-L232 PolarHBondContact O-N 2.95Å
229S96.4Very high95.2Very high62 Ų6249 Ų4943%0.43427%0.274SS..Hα-helixtrans-62.2-42.1-179.751.50000112T226 L232 E233T226-S229 PolarHBondContact O-N 3.46Å; T226-S229 PolarHBondContact O-OG 3.38Å; S229-L232 PolarHBondContact O-N 3.12Å; S229-E233 PolarHBondContact O-N 2.82Å
230D97.6Very high94.8Very high34 Ų3453 Ų5318%0.18229%0.293CS..Hα-helixtrans-67.9-41.8-177.7-54.2-17.5000110.4L206 T222 T226 F227 L228 E233 Q234L206-D230 HydrophobicContact CD2-CB 4.07Å; T222-D230 WeakPolarHBondContact CA-OD2 3.24Å; T222-D230 VanDerWaalsContact CB-OD2 3.27Å; T222-D230 WeakPolarHBondContact CB-OD2 3.37Å; T222-D230 PolarHBondContact OG1-OD2 2.9Å; T226-D230 VanDerWaalsContact CB-OD2 3.3Å; T226-D230 WeakPolarHBondContact CB-OD2 3.46Å; T226-D230 PolarHBondContact O-N 3.15Å; T226-D230 PolarHBondContact OG1-OD2 3.47Å; F227-D230 PolarHBondContact O-N 3.37Å; L228-D230 VanDerWaalsContact C-N 3.32Å; L228-D230 PolarHBondContact O-N 3.41Å; D230-E233 PolarHBondContact O-N 2.7Å; D230-Q234 PolarHBondContact O-N 2.94Å
231A98Very high94.3Very high0 Ų053.1 Ų53.10%029%0.287CS..Hα-helixtrans-64.7-41.8175.100000112V62 F198 L206 F227 L228 E233 Q234 C235V62-A231 HydrophobicContact CB-CB 4.34Å; V62-A231 HydrophobicContact CG2-CB 4.06Å; F198-A231 HydrophobicContact CB-CB 3.97Å; F198-A231 HydrophobicContact CG-CB 4.28Å; L206-A231 HydrophobicContact CD1-CB 4.2Å; F227-A231 HydrophobicContact CE2-CB 4.38Å; F227-A231 HydrophobicContact CZ-CB 4.34Å; F227-A231 VanDerWaalsContact O-CB 3.24Å; F227-A231 WeakPolarHBondContact O-CB 3.3Å; F227-A231 PolarHBondContact O-N 3.49Å; L228-A231 PolarHBondContact O-N 3.13Å; A231-E233 VanDerWaalsContact C-N 3.35Å; A231-Q234 WeakPolarHBondContact O-CB 3.48Å; A231-Q234 PolarHBondContact O-N 3.26Å; A231-C235 PolarHBondContact O-N 2.7Å; A231-C235 PolarHBondContact O-SG 3.28Å
232L96.9Very high93.7Very high5 Ų547.6 Ų47.63%0.02625%0.251CS..Hα-helixtrans-69.4-32.4178.6-68.1-178.3000112.7I44 F47 L52 L228 S229 Q234 C235 R236I44-L232 HydrophobicContact CD1-CD2 3.98Å; I44-L232 HydrophobicContact CG2-CD2 4.01Å; F47-L232 HydrophobicContact CD1-CD2 3.61Å; F47-L232 HydrophobicContact CE1-CD2 3.87Å; F47-L232 HydrophobicContact CG-CD2 4.33Å; L52-L232 HydrophobicContact CD1-CD1 3.27Å; L228-L232 HydrophobicContact CD1-CD1 3.79Å; L228-L232 HydrophobicContact CD1-CD2 4.47Å; L228-L232 HydrophobicContact CD1-CG 3.95Å; L228-L232 HydrophobicContact CG-CD1 3.93Å; L228-L232 HydrophobicContact CG-CG 4.38Å; L228-L232 WeakPolarHBondContact O-CB 3.29Å; L228-L232 WeakPolarHBondContact O-CG 3.45Å; L228-L232 PolarHBondContact O-N 2.95Å; S229-L232 PolarHBondContact O-N 3.12Å; L232-Q234 VanDerWaalsContact C-N 3.27Å; L232-Q234 PolarHBondContact O-N 3.33Å; L232-C235 PolarHBondContact O-N 2.92Å; L232-R236 WeakPolarHBondContact O-CG 2.93Å; L232-R236 PolarHBondContact O-N 3.27Å
233E96.2Very high92.9Very high117 Ų11749.1 Ų49.155%0.54727%0.269SS..Hα-helixtrans-61.1-38.8170.8-173.6170.5-158.800111.4S229 D230 A231S229-E233 PolarHBondContact O-N 2.82Å; D230-E233 PolarHBondContact O-N 2.7Å; A231-E233 VanDerWaalsContact C-N 3.35Å
234Q95.3Very high92.1Very high24 Ų2454.7 Ų54.711%0.11229%0.288CS..Hα-helixtrans-67.9-41.9171.9-59.9-50.8-41.200112.1F198 L206 H219 D230 A231 L232 R236 Q237 F238F198-Q234 HydrophobicContact CD1-CB 4.39Å; F198-Q234 HydrophobicContact CE1-CB 3.57Å; F198-Q234 HydrophobicContact CE1-CG 4.2Å; F198-Q234 HydrophobicContact CZ-CB 3.98Å; L206-Q234 HydrophobicContact CD2-CG 3.73Å; H219-Q234 HydrophobicContact CB-CG 3.99Å; H219-Q234 PolarHBondContact CE1-OE1 3.15Å; H219-Q234 PolarHBondContact ND1-OE1 3.44Å; D230-Q234 PolarHBondContact O-N 2.94Å; A231-Q234 WeakPolarHBondContact O-CB 3.48Å; A231-Q234 PolarHBondContact O-N 3.26Å; L232-Q234 VanDerWaalsContact C-N 3.27Å; L232-Q234 PolarHBondContact O-N 3.33Å; Q234-R236 VanDerWaalsContact C-N 3.29Å; Q234-R236 PolarHBondContact O-N 2.79Å; Q234-Q237 WeakPolarHBondContact O-CB 3.32Å; Q234-Q237 PolarHBondContact O-N 3.32Å; Q234-Q237 VanDerWaalsContact O-N 3.12Å; Q234-F238 WeakPolarHBondContact O-CD2 3.35Å
235C95.4Very high91.5Very high0 Ų051 Ų510%028%0.275CS..Hα-helixtrans-59.8-37.7177.2-64.20000112.2F47 L64 A231 L232 Q237 F238F47-C235 HydrophobicContact CD2-CB 4.46Å; F47-C235 HydrophobicContact CE1-CB 4.3Å; F47-C235 HydrophobicContact CE2-CB 3.76Å; F47-C235 HydrophobicContact CZ-CB 3.66Å; L64-C235 HydrophobicContact CD1-CB 4.26Å; L64-C235 HydrophobicContact CD2-CB 4.22Å; A231-C235 PolarHBondContact O-N 2.7Å; A231-C235 PolarHBondContact O-SG 3.28Å; L232-C235 PolarHBondContact O-N 2.92Å; C235-Q237 PolarHBondContact O-N 2.74Å; C235-Q237 VanDerWaalsContact O-N 3.12Å; C235-F238 WeakPolarHBondContact O-CB 3.35Å; C235-F238 PolarHBondContact O-N 2.71Å
236R93Very high90.9Very high107 Ų10751.6 Ų51.640%0.40427%0.273SS..THydrogen-bonded Turntrans-59.5-22.5176.6-78177.1-167.8-93.514.9114.2F47 D48 L232 Q234 P239F47-R236 HydrophobicContact CB-CG 4.07Å; F47-R236 VanDerWaalsContact CB-CZ 3.41Å; F47-R236 HydrophobicContact CD2-CB 4.47Å; F47-R236 HydrophobicContact CD2-CG 3.53Å; F47-R236 HydrophobicContact CE2-CG 4.4Å; F47-R236 HydrophobicContact CG-CG 4.23Å; F47-R236 PolarHBondContact O-NH2 3.23Å; D48-R236 IonicContact OD1-CZ 2.72Å; D48-R236 IonicContact OD1-NH1 2.7Å; D48-R236 PolarHBondContact OD1-NH1 3.5Å; D48-R236 IonicContact OD1-NH2 3.69Å; D48-R236 PolarHBondContact OD1-NH2 2.83Å; L232-R236 WeakPolarHBondContact O-CG 2.93Å; L232-R236 PolarHBondContact O-N 3.27Å; Q234-R236 VanDerWaalsContact C-N 3.29Å; Q234-R236 PolarHBondContact O-N 2.79Å; R236-P239 WeakPolarHBondContact O-CD 3.3Å
237Q90.9Very high90.7Very high72 Ų7253.1 Ų53.134%0.33628%0.279SS..THydrogen-bonded Turntrans-81.9-18.2179.4-58.5-179.620.700112.3Q234 C235 Q240 R241Q234-Q237 WeakPolarHBondContact O-CB 3.32Å; Q234-Q237 PolarHBondContact O-N 3.32Å; Q234-Q237 VanDerWaalsContact O-N 3.12Å; C235-Q237 PolarHBondContact O-N 2.74Å; C235-Q237 VanDerWaalsContact O-N 3.12Å; Q237-Q240 PolarHBondContact O-N 3.14Å; Q237-R241 WeakPolarHBondContact O-CG 3.46Å; Q237-R241 PolarHBondContact O-N 3.05Å; Q237-R241 VanDerWaalsContact O-N 3.12Å
238F90.8Very high90.4Very high0 Ų055.1 Ų55.10%029%0.287CS..Hα-helixtrans-63.5-39.9-175.4-86.3-107.9000114.7L64 F66 Y72 V196 F198 Q234 C235 Q240 R241 C242 Y248L64-F238 HydrophobicContact CD2-CB 4.07Å; L64-F238 HydrophobicContact CD2-CD1 3.66Å; L64-F238 HydrophobicContact CD2-CD2 3.52Å; L64-F238 HydrophobicContact CD2-CE1 3.9Å; L64-F238 HydrophobicContact CD2-CE2 3.78Å; L64-F238 HydrophobicContact CD2-CG 3.46Å; L64-F238 VanDerWaalsContact CD2-CG 3.46Å; L64-F238 HydrophobicContact CD2-CZ 3.96Å; F66-F238 HydrophobicContact CB-CD1 4.21Å; F66-F238 AromaticContact CD1-CD1 3.71Å; F66-F238 HydrophobicContact CD1-CD1 3.71Å; F66-F238 AromaticContact CD1-CE1 3.66Å; F66-F238 HydrophobicContact CD1-CE1 3.66Å; F66-F238 AromaticContact CD2-CD1 3.95Å; F66-F238 HydrophobicContact CD2-CD1 3.95Å; F66-F238 HydrophobicContact CD2-CE1 4.24Å; F66-F238 AromaticContact CE1-CD1 3.98Å; F66-F238 HydrophobicContact CE1-CD1 3.98Å; F66-F238 AromaticContact CE1-CE1 3.45Å; F66-F238 HydrophobicContact CE1-CE1 3.45Å; F66-F238 VanDerWaalsContact CE1-CE1 3.45Å; F66-F238 HydrophobicContact CE1-CZ 4.44Å; F66-F238 HydrophobicContact CE2-CD1 4.23Å; F66-F238 HydrophobicContact CE2-CE1 4.08Å; F66-F238 AromaticContact CG-CD1 3.7Å; F66-F238 HydrophobicContact CG-CD1 3.7Å; F66-F238 HydrophobicContact CG-CE1 4.05Å; F66-F238 HydrophobicContact CZ-CD1 4.23Å; F66-F238 AromaticContact CZ-CE1 3.68Å; F66-F238 HydrophobicContact CZ-CE1 3.68Å; Y72-F238 HydrophobicContact CE2-CD1 4.42Å; Y72-F238 AromaticContact CE2-CE1 4Å; Y72-F238 HydrophobicContact CE2-CE1 4Å; V196-F238 HydrophobicContact CG2-CE1 4.35Å; V196-F238 HydrophobicContact CG2-CZ 4.15Å; F198-F238 AromaticContact CZ-CE2 3.87Å; F198-F238 HydrophobicContact CZ-CE2 3.87Å; F198-F238 HydrophobicContact CZ-CZ 4.27Å; Q234-F238 WeakPolarHBondContact O-CD2 3.35Å; C235-F238 WeakPolarHBondContact O-CB 3.35Å; C235-F238 PolarHBondContact O-N 2.71Å; F238-Q240 VanDerWaalsContact C-N 3.28Å; F238-Q240 PolarHBondContact O-N 3.26Å; F238-R241 CarbonylContact O-C 3.53Å; F238-R241 WeakPolarHBondContact O-CA 3.41Å; F238-R241 WeakPolarHBondContact O-CB 3.39Å; F238-R241 PolarHBondContact O-N 3.38Å; F238-C242 PolarHBondContact O-N 3.11Å; F238-C242 PolarHBondContact O-SG 3.41Å; F238-Y248 HydrophobicContact CB-CD1 4.26Å; F238-Y248 HydrophobicContact CB-CE1 3.69Å; F238-Y248 PolarHBondContact O-OH 2.91Å
239P86.1Confident90.3Very high39 Ų3955.6 Ų55.625%0.25329%0.29SS..Hα-helixtrans-50.9-47.1171-30.937.2000112.7R236 R241 C242 G243 E244 Y248R236-P239 WeakPolarHBondContact O-CD 3.3Å; P239-R241 VanDerWaalsContact C-N 3.31Å; P239-R241 PolarHBondContact O-N 2.87Å; P239-C242 PolarHBondContact O-N 3.11Å; P239-G243 PolarHBondContact O-N 2.69Å; P239-E244 WeakPolarHBondContact O-CA 3.32Å; P239-E244 PolarHBondContact O-N 2.97Å; P239-Y248 VanDerWaalsContact CA-OH 3.31Å; P239-Y248 WeakPolarHBondContact CA-OH 3.39Å; P239-Y248 HydrophobicContact CB-CE2 4.42Å; P239-Y248 HydrophobicContact CG-CD2 4.43Å; P239-Y248 HydrophobicContact CG-CE2 4.12Å
240Q85.2Confident90.4Very high135 Ų13552.8 Ų52.863%0.63127%0.27SS*.Hα-helixtrans-65.3-36.5178.2-64.5177.15.800112.1K71 Q237 F238K71-Q240 VanDerWaalsContact CE-O 3.31Å; K71-Q240 WeakPolarHBondContact CE-O 3.29Å; K71-Q240 PolarHBondContact NZ-O 2.82Å; Q237-Q240 PolarHBondContact O-N 3.14Å; F238-Q240 VanDerWaalsContact C-N 3.28Å; F238-Q240 PolarHBondContact O-N 3.26Å
241R85.4Confident90.4Very high21 Ų2151.1 Ų51.18%0.07926%0.261CS..Hα-helixtrans-68.3-34.5176.7-63.1170.9-169.7-178.81.2112.4K71 Y72 T75 E208 Q237 F238 P239K71-R241 CarbonylContact C-O 3.58Å; K71-R241 WeakPolarHBondContact CG-O 3.2Å; Y72-R241 WeakPolarHBondContact CA-O 3.48Å; Y72-R241 HydrophobicContact CD2-CB 4.41Å; Y72-R241 PolarHBondContact N-O 3.34Å; T75-R241 HydrophobicContact CG2-CG 4.31Å; E208-R241 IonicContact OE2-NH1 2.71Å; Q237-R241 WeakPolarHBondContact O-CG 3.46Å; Q237-R241 PolarHBondContact O-N 3.05Å; Q237-R241 VanDerWaalsContact O-N 3.12Å; F238-R241 CarbonylContact O-C 3.53Å; F238-R241 WeakPolarHBondContact O-CA 3.41Å; F238-R241 WeakPolarHBondContact O-CB 3.39Å; F238-R241 PolarHBondContact O-N 3.38Å; P239-R241 VanDerWaalsContact C-N 3.31Å; P239-R241 PolarHBondContact O-N 2.87Å
242C83.9Confident90.5Very high3 Ų351.1 Ų51.12%0.0226%0.261CS..Hα-helixtrans-101.36.2-177.8-35.40000115.1P67 T69 F238 P239 Y248P67-C242 HydrophobicContact CG-CB 4.44Å; P67-C242 WeakPolarHBondContact O-CB 3.47Å; P67-C242 PolarHBondContact O-SG 2.79Å; T69-C242 HydrophobicContact CG2-CB 4.13Å; T69-C242 WeakPolarHBondContact CG2-O 3.49Å; T69-C242 WeakPolarHBondContact OG1-CA 3.16Å; T69-C242 PolarHBondContact OG1-O 2.9Å; F238-C242 PolarHBondContact O-N 3.11Å; F238-C242 PolarHBondContact O-SG 3.41Å; P239-C242 PolarHBondContact O-N 3.11Å; C242-Y248 WeakPolarHBondContact CB-OH 3.46Å; C242-Y248 PolarHBondContact SG-OH 3.19Å
243G81.5Confident90.5Very high42 Ų4251 Ų5143%0.43326%0.26SS..THydrogen-bonded Turntrans94.432.5172.600000114.8P239 D245P239-G243 PolarHBondContact O-N 2.69Å; G243-D245 VanDerWaalsContact C-N 3.25Å; G243-D245 PolarHBondContact O-N 3.27Å
244E80.3Confident90.6Very high158 Ų15845.4 Ų45.474%0.73823%0.234SC*.SBendtrans64.227.3177.1-53.2-174.3169.400114.1P239P239-E244 WeakPolarHBondContact O-CA 3.32Å; P239-E244 PolarHBondContact O-N 2.97Å
245D81Confident90.6Very high50 Ų5045 Ų4527%0.26724%0.235SC..  trans-60163.5167.4-155.9-57.9000110P67 G243 N247 Y248P67-D245 HydrophobicContact CG-CB 3.63Å; G243-D245 VanDerWaalsContact C-N 3.25Å; G243-D245 PolarHBondContact O-N 3.27Å; D245-N247 VanDerWaalsContact OD1-CB 3.26Å; D245-N247 WeakPolarHBondContact OD1-CB 3.12Å; D245-N247 VanDerWaalsContact OD1-CG 3.26Å; D245-N247 PolarHBondContact OD1-N 3.26Å; D245-N247 PolarHBondContact OD1-ND2 3.26Å; D245-Y248 HydrophobicContact CB-CE2 4.09Å; D245-Y248 WeakPolarHBondContact O-CE2 3.49Å
246V84.3Confident90.4Very high124 Ų12448.4 Ų48.475%0.75225%0.251SS*.  trans-116.4-5.7177.5-63.30000112.7Y248V246-Y248 PolarHBondContact O-N 2.89Å
247N90.2Very high89.9Confident81 Ų8147.8 Ų47.843%0.43327%0.27SS..  trans-80.663.1-175.6-62.5-54.7000112.5P67 D245P67-N247 WeakPolarHBondContact CD-O 3.44Å; D245-N247 VanDerWaalsContact OD1-CB 3.26Å; D245-N247 WeakPolarHBondContact OD1-CB 3.12Å; D245-N247 VanDerWaalsContact OD1-CG 3.26Å; D245-N247 PolarHBondContact OD1-N 3.26Å; D245-N247 PolarHBondContact OD1-ND2 3.26Å
248Y92.5Very high89.3Confident46 Ų4653.5 Ų53.518%0.1830%0.296CS..  trans-114.4147.7176-60.2-98000110.3L65 F66 P67 F238 P239 C242 D245 V246L65-Y248 VanDerWaalsContact O-CA 3.31Å; L65-Y248 WeakPolarHBondContact O-CA 3.12Å; F66-Y248 HydrophobicContact CB-CD1 3.32Å; F66-Y248 HydrophobicContact CB-CE1 3.22Å; F66-Y248 HydrophobicContact CB-CG 4.47Å; F66-Y248 HydrophobicContact CG-CE1 4.39Å; P67-Y248 HydrophobicContact CG-CE2 4.35Å; F238-Y248 HydrophobicContact CB-CD1 4.26Å; F238-Y248 HydrophobicContact CB-CE1 3.69Å; F238-Y248 PolarHBondContact O-OH 2.91Å; P239-Y248 VanDerWaalsContact CA-OH 3.31Å; P239-Y248 WeakPolarHBondContact CA-OH 3.39Å; P239-Y248 HydrophobicContact CB-CE2 4.42Å; P239-Y248 HydrophobicContact CG-CD2 4.43Å; P239-Y248 HydrophobicContact CG-CE2 4.12Å; C242-Y248 WeakPolarHBondContact CB-OH 3.46Å; C242-Y248 PolarHBondContact SG-OH 3.19Å; D245-Y248 HydrophobicContact CB-CE2 4.09Å; D245-Y248 WeakPolarHBondContact O-CE2 3.49Å; V246-Y248 PolarHBondContact O-N 2.89Å
249N96Very high89.2Confident48 Ų4856.2 Ų56.226%0.25731%0.311SS..EExtended strand (participates in β ladder)trans-139.7143.8168.2179.4-82.3000108.4S21 L65S21-N249 WeakPolarHBondContact CB-OD1 3.4Å; S21-N249 PolarHBondContact OG-OD1 2.87Å; L65-N249 HydrophobicContact CB-CB 4.27Å; L65-N249 PolarHBondContact N-O 3.22Å; L65-N249 PolarHBondContact O-N 3.3Å
250A97.7Very high89.3Confident2 Ų257.1 Ų57.12%0.01731%0.314CS..EExtended strand (participates in β ladder)trans-129.8141.1174.700000110.8I44 F47 L63 L64I44-A250 HydrophobicContact CB-CB 3.92Å; I44-A250 WeakPolarHBondContact CB-O 3.42Å; I44-A250 HydrophobicContact CD1-CB 4.06Å; I44-A250 HydrophobicContact CG1-CB 4.35Å; I44-A250 HydrophobicContact CG2-CB 4.38Å; I44-A250 PolarHBondContact N-O 2.85Å; F47-A250 HydrophobicContact CE1-CB 3.94Å; F47-A250 HydrophobicContact CZ-CB 4.4Å; L63-A250 CarbonylContact O-C 3.59Å; L63-A250 WeakPolarHBondContact O-CA 3.42Å; L64-A250 HydrophobicContact CD1-CB 4.11Å
251I98.5Very high89.6Confident0 Ų052.7 Ų52.70%030%0.296CS..EExtended strand (participates in β ladder)trans-122.7127.8179-62.3175.1000107.9S21 P23 F26 C41 Y42 V62 L63S21-I251 WeakPolarHBondContact OG-CD1 3.33Å; P23-I251 HydrophobicContact CG-CG1 4.39Å; P23-I251 HydrophobicContact CG-CG2 4.47Å; F26-I251 HydrophobicContact CD2-CD1 3.78Å; F26-I251 HydrophobicContact CE2-CD1 4.01Å; F26-I251 HydrophobicContact CG-CD1 4.44Å; C41-I251 HydrophobicContact CB-CG2 3.58Å; Y42-I251 CarbonylContact O-C 3.59Å; Y42-I251 WeakPolarHBondContact O-CA 3.49Å; V62-I251 CarbonylContact C-O 3.47Å; V62-I251 WeakPolarHBondContact CA-O 3.12Å; L63-I251 HydrophobicContact CB-CB 4.32Å; L63-I251 PolarHBondContact N-O 2.87Å; L63-I251 PolarHBondContact O-N 3.25Å
252A98.4Very high89.8Confident0 Ų054.6 Ų54.60%031%0.309CS..EExtended strand (participates in β ladder)trans-88131.2169.300000109C41 Y42 I44 L55 V59C41-A252 CarbonylContact C-O 3.59Å; C41-A252 WeakPolarHBondContact CA-O 3.35Å; Y42-A252 PolarHBondContact N-O 2.7Å; Y42-A252 PolarHBondContact O-N 3Å; I44-A252 HydrophobicContact CD1-CB 3.86Å; I44-A252 HydrophobicContact CG1-CB 3.84Å; L55-A252 HydrophobicContact CD1-CB 4.08Å; L55-A252 HydrophobicContact CD2-CB 4.03Å; V59-A252 HydrophobicContact CG1-CB 3.93Å
253I98.4Very high90.2Very high2 Ų257.8 Ų57.81%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-96.2121.1165.1-55.7-177.4000107.2I30 V60 A61 L63 L110 A113I30-I253 HydrophobicContact CD1-CD1 4.14Å; I30-I253 HydrophobicContact CD1-CG1 4.38Å; I30-I253 HydrophobicContact CD1-CG2 4.02Å; V60-I253 HydrophobicContact CG2-CB 4.21Å; V60-I253 HydrophobicContact CG2-CG2 3.86Å; V60-I253 WeakPolarHBondContact CG2-O 2.86Å; V60-I253 PolarHBondContact N-O 2.87Å; A61-I253 HydrophobicContact CB-CB 4.23Å; A61-I253 HydrophobicContact CB-CD1 4.23Å; A61-I253 HydrophobicContact CB-CG1 4.42Å; A61-I253 PolarHBondContact N-O 2.88Å; A61-I253 PolarHBondContact O-N 2.93Å; L63-I253 HydrophobicContact CD1-CD1 4.23Å; L63-I253 HydrophobicContact CD2-CD1 4.33Å; L63-I253 HydrophobicContact CG-CD1 4.25Å; L110-I253 HydrophobicContact CD1-CD1 3.92Å; A113-I253 HydrophobicContact CB-CD1 3.64Å
254C97.8Very high90.8Very high0 Ų058.9 Ų58.90%032%0.32CS..EExtended strand (participates in β ladder)trans-116140.3-173.7-64.40000111L39 E40 Y42 P56 E58L39-C254 WeakPolarHBondContact CA-O 3.35Å; E40-C254 PolarHBondContact N-O 2.92Å; E40-C254 PolarHBondContact O-N 3.1Å; Y42-C254 HydrophobicContact CD2-CB 3.95Å; Y42-C254 HydrophobicContact CE2-CB 4Å; P56-C254 HydrophobicContact CB-CB 3.88Å; P56-C254 HydrophobicContact CG-CB 3.7Å; E58-C254 CarbonylContact O-C 3.45Å; E58-C254 VanDerWaalsContact O-CA 3.26Å; E58-C254 WeakPolarHBondContact O-CA 2.94Å
255A96Very high91.5Very high14 Ų1451.8 Ų51.812%0.11629%0.29CS..EExtended strand (participates in β ladder)trans-93.6122.8167.200000109.6F38 L39 E58 V60 L120F38-A255 WeakPolarHBondContact O-CA 3.39Å; L39-A255 HydrophobicContact CD2-CB 4.11Å; E58-A255 HydrophobicContact CB-CB 4.34Å; E58-A255 HydrophobicContact CG-CB 3.94Å; E58-A255 PolarHBondContact O-N 3.12Å; V60-A255 HydrophobicContact CG1-CB 4.08Å; L120-A255 HydrophobicContact CD1-CB 4.42Å; L120-A255 HydrophobicContact CD2-CB 4.33Å
256M90.7Very high92.3Very high72 Ų7251.9 Ų51.936%0.35529%0.292SS..PPolyproline II helixtrans-90152.8176.5-59.4-61.8-80.500110.2F38 P56F38-M256 HydrophobicContact CB-CB 4.25Å; F38-M256 HydrophobicContact CD1-CB 4.31Å; F38-M256 PolarHBondContact O-N 3.09Å; P56-M256 HydrophobicContact CB-SD 3.59Å; P56-M256 VanDerWaalsContact CB-SD 3.59Å; P56-M256 HydrophobicContact CG-CE 4.22Å; P56-M256 HydrophobicContact CG-SD 3.24Å; P56-M256 WeakPolarHBondContact CG-SD 3.22Å
257A82.6Confident93Very high95 Ų9545.9 Ų45.979%0.78525%0.254SS*.PPolyproline II helixtrans-64.4139.7169.700000110.3F38F38-A257 WeakPolarHBondContact CD1-O 3.42Å
258E77.1Confident93.2Very high191 Ų19142.7 Ų42.789%0.89324%0.237SC*.  trans-73.50177.5-62.6-169.9178.900114F38 R122F38-E258 HydrophobicContact CD1-CG 4.36Å; F38-E258 HydrophobicContact CD2-CG 4Å; F38-E258 VanDerWaalsContact CE1-CA 3.47Å; F38-E258 HydrophobicContact CE1-CB 4.29Å; F38-E258 HydrophobicContact CE1-CG 4.47Å; F38-E258 HydrophobicContact CE2-CB 4.39Å; F38-E258 HydrophobicContact CE2-CG 4.1Å; F38-E258 HydrophobicContact CG-CG 4.11Å; F38-E258 HydrophobicContact CZ-CB 4.15Å; F38-E258 HydrophobicContact CZ-CG 4.31Å; R122-E258 IonicContact CZ-OE1 2.81Å; R122-E258 IonicContact NE-OE1 4Å; R122-E258 IonicContact NH2-OE1 3.48Å; R122-E258 PolarHBondContact NH2-OE1 3.22Å; R122-E258 IonicContact NH2-OE2 2.75Å; R122-E258 PolarHBondContact NH2-OE2 3.11Å

Retrieved 258 of 258 residues in 612.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).