A0A087Y387_POEFO Loading...

Ubiquitin recognition factor in ER-associated degradation protein 1

Essential component of the ubiquitin-dependent proteolytic pathway which degrades ubiquitin fusion proteins. The ternary complex containing UFD1, VCP and NPLOC4 binds ubiquitinated proteins and is necessary for the export of misfolded proteins from the ER to the cytoplasm, where they are degraded by the proteasome. The NPLOC4-UFD1-VCP complex regulates spindle disassembly at the end of mitosis and is necessary for the formation of a closed nuclear envelope. It may be involved in the development of some ectoderm-derived structures. Acts as a negative regulator of type I interferon production via the complex formed with VCP and NPLOC4, which binds to RIGI and recruits RNF125 to promote ubiquitination and degradation of RIGI.

AlphaFold DB (A0A3B3UM80), UniProt , Accession A0A087Y387, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 311 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.2Very low41.3Very low225 Ų225155.1 Ų155.1100%1.10878%0.78SS**  0116.30-71.5-172.9-175.200107.1
2F39.8Very low41.4Very low190 Ų190157.1 Ų157.183%0.83379%0.788SS**  cis-151142.5-9.5-89.9-85.9000105.3
3S37.7Very low41.7Very low107 Ų107151.7 Ų151.775%0.74878%0.783SS**  trans-66.4140.4164.5-174.10000109.5
4F45.2Very low41.8Very low170 Ų170156.2 Ų156.275%0.74679%0.785SS**  trans-174.999.1149.7-105.5-75.6000111H6F4-H6 AromaticContact CE1-CD2 3.69Å
5H39.2Very low41.6Very low177 Ų177150.8 Ų150.882%0.81978%0.784SS**  trans-14782.6143.3-111.476.3000107.4V7H5-V7 PolarHBondContact O-N 3.38Å; H5-V7 VanDerWaalsContact O-N 3.14Å
6H45.3Very low42.1Very low156 Ų156152.6 Ų152.672%0.72278%0.784SS**  trans-6897.5159.8-88.9-81.8000107.5F4F4-H6 AromaticContact CE1-CD2 3.69Å
7V44.3Very low42.8Very low121 Ų121149.1 Ų149.173%0.73377%0.774SS**  trans-92.1114157.6-157.50000105.1H5 D9H5-V7 PolarHBondContact O-N 3.38Å; H5-V7 VanDerWaalsContact O-N 3.14Å; V7-D9 PolarHBondContact O-N 3Å
8F40.9Very low43.9Very low168 Ų168148.2 Ų148.274%0.73777%0.77SS**  trans-51.4101.1178.7-89.6-103.1000111.1H10F8-H10 VanDerWaalsContact C-N 3.34Å; F8-H10 AromaticContact CD1-CE1 3.62Å; F8-H10 AromaticContact CD1-ND1 3.98Å; F8-H10 PolarHBondContact O-N 3.09Å; F8-H10 VanDerWaalsContact O-N 3.11Å
9D35.8Very low45.5Very low147 Ų147146.3 Ų146.379%0.78675%0.752SS**  trans-71.496.1157.9-153.8-81.5000106.6V7 P11V7-D9 PolarHBondContact O-N 3Å; D9-P11 WeakPolarHBondContact O-CD 3.01Å
10H45.3Very low47.4Very low134 Ų134139.2 Ų139.262%0.6272%0.715SS**  trans-81.8109.1162.2-82.376.1000106.9F8 M12F8-H10 VanDerWaalsContact C-N 3.34Å; F8-H10 AromaticContact CD1-CE1 3.62Å; F8-H10 AromaticContact CD1-ND1 3.98Å; F8-H10 PolarHBondContact O-N 3.09Å; F8-H10 VanDerWaalsContact O-N 3.11Å; H10-M12 PolarHBondContact O-N 3.35Å
11P41.6Very low49.4Very low111 Ų111135.6 Ų135.672%0.72170%0.703SS**  trans-72.591.8156.630.7-29.2000106D9 A13D9-P11 WeakPolarHBondContact O-CD 3.01Å; P11-A13 PolarHBondContact O-N 2.94Å
12M42Very low51.9Low179 Ų179127 Ų12788%0.88266%0.662SS**  trans-65.390.4157.3-90.6-164.517400107.2H10 R14H10-M12 PolarHBondContact O-N 3.35Å; M12-R14 PolarHBondContact O-N 2.98Å
13A46.3Very low54.4Low87 Ų87122.3 Ų122.372%0.71964%0.643SS**  trans-54.6124160.800000109.5P11P11-A13 PolarHBondContact O-N 2.94Å
14R42.6Very low57Low215 Ų215117.6 Ų117.681%0.81161%0.609SS**  trans-176.580.4133.8-99.5-177.9-130.3169.31.9107.7M12 F16M12-R14 PolarHBondContact O-N 2.98Å; R14-F16 PolarHBondContact O-N 3.39Å; R14-F16 VanDerWaalsContact O-N 3.07Å
15G38.8Very low59.3Low75 Ų75116 Ų11677%0.77360%0.598SS**  trans-58.8110.714800000105.6P17G15-P17 VanDerWaalsContact O-CD 3.27Å; G15-P17 WeakPolarHBondContact O-CD 3.46Å; G15-P17 VanDerWaalsContact O-N 3.11Å
16F49.7Very low61.8Low179 Ų179107.7 Ų107.779%0.78556%0.56SS**  trans-58.1118.1166.7-81.3-90.2000105.5R14 N18R14-F16 PolarHBondContact O-N 3.39Å; R14-F16 VanDerWaalsContact O-N 3.07Å; F16-N18 PolarHBondContact O-N 2.87Å
17P54.5Low64Low94 Ų94102.8 Ų102.861%0.6154%0.535SS*.  trans-57.8132.6169.926.3-31.3000105.8G15 R19G15-P17 VanDerWaalsContact O-CD 3.27Å; G15-P17 WeakPolarHBondContact O-CD 3.46Å; G15-P17 VanDerWaalsContact O-N 3.11Å; P17-R19 HydrophobicContact CB-CB 3.99Å; P17-R19 HydrophobicContact CG-CB 4.3Å; P17-R19 PolarHBondContact O-N 2.83Å
18N61.9Low66.2Low132 Ų13297.3 Ų97.371%0.70650%0.503SS*.SBendtrans-69.762.8175.1-163.347.3000109F16 L60F16-N18 PolarHBondContact O-N 2.87Å; N18-L60 WeakPolarHBondContact OD1-CD2 3.26Å
19R74.6Confident68.3Low112 Ų11290.1 Ų90.142%0.42347%0.472SS..  trans-132.8130.6-165.7-165.7-179.4-170.3173.79.6106.5P17 S21 S115P17-R19 HydrophobicContact CB-CB 3.99Å; P17-R19 HydrophobicContact CG-CB 4.3Å; P17-R19 PolarHBondContact O-N 2.83Å; R19-S21 PolarHBondContact O-N 3.13Å; R19-S115 VanDerWaalsContact CG-O 3.24Å; R19-S115 WeakPolarHBondContact CG-O 3.4Å; R19-S115 WeakPolarHBondContact CG-OG 3.43Å; R19-S115 PolarHBondContact NE-O 3.26Å; R19-S115 PolarHBondContact NH2-O 2.82Å
20F84.3Confident70.4Confident4 Ų486.2 Ų86.22%0.01846%0.456CS..  trans-64122.6176.9176.7-92.1000108.3Y24 M49 A53 Q56 L57 L60 I62 F68 V113 E114 S115F20-Y24 HydrophobicContact CE1-CE2 4.13Å; F20-Y24 AromaticContact CZ-CE2 3.82Å; F20-Y24 HydrophobicContact CZ-CE2 3.82Å; F20-Y24 WeakPolarHBondContact CZ-OH 3.48Å; F20-M49 HydrophobicContact CE1-CE 4.13Å; F20-M49 HydrophobicContact CZ-CE 4.24Å; F20-A53 HydrophobicContact CE2-CB 4.19Å; F20-A53 HydrophobicContact CZ-CB 3.84Å; F20-Q56 HydrophobicContact CD2-CB 3.88Å; F20-Q56 HydrophobicContact CE2-CB 3.88Å; F20-L57 HydrophobicContact CB-CD2 3.69Å; F20-L57 HydrophobicContact CD1-CD2 4.12Å; F20-L57 HydrophobicContact CD2-CD2 3.94Å; F20-L57 HydrophobicContact CD2-CG 4.24Å; F20-L57 HydrophobicContact CG-CD2 3.68Å; F20-L57 HydrophobicContact CG-CG 4.44Å; F20-L60 HydrophobicContact CB-CD1 3.72Å; F20-I62 HydrophobicContact CB-CD1 4.37Å; F20-F68 HydrophobicContact CD1-CD1 4.41Å; F20-F68 HydrophobicContact CD1-CE1 4.1Å; F20-F68 HydrophobicContact CE1-CE1 4.27Å; F20-V113 HydrophobicContact CE1-CG1 4.33Å; F20-E114 CarbonylContact O-C 3.57Å; F20-E114 VanDerWaalsContact O-CA 3.23Å; F20-E114 WeakPolarHBondContact O-CA 3.26Å; F20-S115 WeakPolarHBondContact CB-OG 3.49Å; F20-S115 PolarHBondContact N-OG 3.01Å; F20-S115 PolarHBondContact O-N 3.33Å
21S89.2Confident71.9Confident65 Ų6584.2 Ų84.246%0.45545%0.449SS..EExtended strand (participates in β ladder)trans-144.9105.6177.5-175.10000108.4R19 V113R19-S21 PolarHBondContact O-N 3.13Å; S21-V113 WeakPolarHBondContact CA-O 3.31Å
22T90.6Very high73.5Confident43 Ų4381 Ų8126%0.26443%0.425SS..EExtended strand (participates in β ladder)trans-142.3150.7-174.2-59.60000109.7Y24 V113T22-Y24 HydrophobicContact CG2-CD2 4.22Å; T22-Y24 HydrophobicContact CG2-CE1 4.38Å; T22-Y24 HydrophobicContact CG2-CE2 3.64Å; T22-V113 PolarHBondContact N-O 2.99Å; T22-V113 PolarHBondContact O-N 2.9Å
23Q92.5Very high74.3Confident93 Ų9377.4 Ų77.444%0.43542%0.424SS..EExtended strand (participates in β ladder)trans-96.2134.4173.4-65-173-37.700110.5K73 V111 Q112Q23-K73 VanDerWaalsContact NE2-NZ 3.13Å; Q23-V111 VanDerWaalsContact CA-O 3.31Å; Q23-V111 WeakPolarHBondContact CA-O 3.48Å; Q23-Q112 HydrophobicContact CG-CB 4.47Å
24Y93.3Very high75Confident8 Ų875.6 Ų75.63%0.03141%0.413CS..EExtended strand (participates in β ladder)trans-126152.9176.9-71-79.9000110.7F20 T22 M49 P50 C93 L110 V111 V113F20-Y24 HydrophobicContact CE1-CE2 4.13Å; F20-Y24 AromaticContact CZ-CE2 3.82Å; F20-Y24 HydrophobicContact CZ-CE2 3.82Å; F20-Y24 WeakPolarHBondContact CZ-OH 3.48Å; T22-Y24 HydrophobicContact CG2-CD2 4.22Å; T22-Y24 HydrophobicContact CG2-CE1 4.38Å; T22-Y24 HydrophobicContact CG2-CE2 3.64Å; Y24-M49 HydrophobicContact CD2-CE 4.12Å; Y24-M49 HydrophobicContact CE2-CE 3.71Å; Y24-P50 HydrophobicContact CD1-CG 4.14Å; Y24-P50 HydrophobicContact CE1-CG 3.47Å; Y24-P50 VanDerWaalsContact CE1-CG 3.47Å; Y24-C93 WeakPolarHBondContact CB-SG 3.33Å; Y24-L110 WeakPolarHBondContact O-CA 3.39Å; Y24-V111 PolarHBondContact N-O 2.65Å; Y24-V111 PolarHBondContact O-N 3.41Å; Y24-V113 HydrophobicContact CD2-CB 4.08Å; Y24-V113 HydrophobicContact CD2-CG2 3.63Å; Y24-V113 HydrophobicContact CE2-CB 4.49Å; Y24-V113 HydrophobicContact CE2-CG2 4.48Å; Y24-V113 HydrophobicContact CG-CG2 4.47Å
25R93.1Very high75.5Confident137 Ų13771.7 Ų71.752%0.51742%0.416SS..EExtended strand (participates in β ladder)trans-82.6125.4168.5-67.5-176.7-178.7-174.50.4109.2Y27 G91 I92 C93 G109 L110R25-Y27 HydrophobicContact CB-CD2 4.34Å; R25-Y27 HydrophobicContact CB-CE2 3.7Å; R25-G91 PolarHBondContact N-O 2.94Å; R25-I92 CarbonylContact O-C 3.58Å; R25-I92 WeakPolarHBondContact O-CA 3.45Å; R25-C93 PolarHBondContact O-N 3.03Å; R25-G109 WeakPolarHBondContact CA-O 3.28Å; R25-L110 HydrophobicContact CG-CD2 3.71Å
26C91.7Very high76.4Confident1 Ų174.6 Ų74.61%0.00741%0.414CS..EExtended strand (participates in β ladder)trans-95.6129.4-178-66.70000110.9C93 L95 G108 G109 V111C26-C93 WeakPolarHBondContact CA-O 3.44Å; C26-L95 HydrophobicContact CB-CD1 3.58Å; C26-L95 HydrophobicContact CB-CG 4.11Å; C26-L95 VanDerWaalsContact SG-CD1 3.54Å; C26-G108 PolarHBondContact O-N 3.39Å; C26-G109 PolarHBondContact N-O 2.85Å; C26-V111 HydrophobicContact CB-CG2 4.22Å; C26-V111 VanDerWaalsContact SG-CB 3.58Å; C26-V111 WeakPolarHBondContact SG-CG2 3.28Å
27Y91.5Very high77Confident53 Ų5372.1 Ų72.121%0.20841%0.409CS..EExtended strand (participates in β ladder)trans-126.1157174.5-68.5-91.3000110R25 M31 I92 C93 Y94 L95 E107R25-Y27 HydrophobicContact CB-CD2 4.34Å; R25-Y27 HydrophobicContact CB-CE2 3.7Å; Y27-M31 HydrophobicContact CD1-SD 3.7Å; Y27-M31 HydrophobicContact CG-SD 4.5Å; Y27-I92 HydrophobicContact CD2-CB 4.48Å; Y27-I92 HydrophobicContact CD2-CG1 4.34Å; Y27-I92 HydrophobicContact CD2-CG2 3.58Å; Y27-I92 HydrophobicContact CE2-CD1 4.2Å; Y27-I92 HydrophobicContact CE2-CG1 3.95Å; Y27-I92 HydrophobicContact CE2-CG2 4.08Å; Y27-I92 HydrophobicContact CG-CG2 4.49Å; Y27-C93 PolarHBondContact N-O 3.34Å; Y27-Y94 WeakPolarHBondContact O-CA 3.12Å; Y27-L95 PolarHBondContact O-N 3.4Å; Y27-E107 HydrophobicContact CD1-CB 4.38Å
28S89.4Confident77.8Confident7 Ų772.9 Ų72.95%0.04940%0.4CS..EExtended strand (participates in β ladder)trans-67.5142.3174.2-178.50000110.2S30 M31 Y94 M100S28-S30 PolarHBondContact O-N 3.15Å; S28-S30 VanDerWaalsContact O-N 3.13Å; S28-S30 PolarHBondContact OG-N 3.28Å; S28-M31 WeakPolarHBondContact O-CB 3.49Å; S28-M31 PolarHBondContact O-N 3.14Å; S28-Y94 WeakPolarHBondContact O-CD1 3.41Å; S28-M100 VanDerWaalsContact CA-SD 3.57Å; S28-M100 PolarHBondContact N-SD 3.4Å
29V85.2Confident78.4Confident16 Ų1669 Ų6910%0.09738%0.383CS..G310 helixtrans-55.8-25.7173.7-73.30000113.3M31 L32 V41 E42 L95V29-M31 PolarHBondContact O-N 3.01Å; V29-L32 WeakPolarHBondContact O-CB 3.43Å; V29-L32 PolarHBondContact O-N 3.11Å; V29-L32 VanDerWaalsContact O-N 3.15Å; V29-V41 HydrophobicContact CG1-CG1 3.77Å; V29-E42 HydrophobicContact CG2-CB 4.21Å; V29-E42 HydrophobicContact CG2-CG 4.49Å; V29-L95 PolarHBondContact N-O 3.27Å
30S79.9Confident78.6Confident65 Ų6568.6 Ų68.646%0.45539%0.389SS..G310 helixtrans-65.7-20.4175.5-48.10000113.6S28 L32S28-S30 PolarHBondContact O-N 3.15Å; S28-S30 VanDerWaalsContact O-N 3.13Å; S28-S30 PolarHBondContact OG-N 3.28Å; S30-L32 VanDerWaalsContact C-N 3.34Å
31M77.6Confident78.5Confident93 Ų9368.6 Ų68.646%0.45839%0.389SS..G310 helixtrans-82.6-12.9176.2-70.2-169.8155.700113.2Y27 S28 V29 A33 Y94 E107Y27-M31 HydrophobicContact CD1-SD 3.7Å; Y27-M31 HydrophobicContact CG-SD 4.5Å; S28-M31 WeakPolarHBondContact O-CB 3.49Å; S28-M31 PolarHBondContact O-N 3.14Å; V29-M31 PolarHBondContact O-N 3.01Å; M31-A33 PolarHBondContact O-N 3.13Å; M31-A33 VanDerWaalsContact O-N 3.14Å; M31-Y94 HydrophobicContact CB-CE1 4.48Å; M31-E107 HydrophobicContact CE-CG 4.45Å; M31-E107 WeakPolarHBondContact CE-OE1 3.47Å; M31-E107 WeakPolarHBondContact CE-OE2 3.4Å
32L75.7Confident78.2Confident43 Ų4368.7 Ų68.723%0.22538%0.383CS..SBendtrans-67.2115.3178.6-176.469000108.9V29 S30 G34 I48 Y94V29-L32 WeakPolarHBondContact O-CB 3.43Å; V29-L32 PolarHBondContact O-N 3.11Å; V29-L32 VanDerWaalsContact O-N 3.15Å; S30-L32 VanDerWaalsContact C-N 3.34Å; L32-G34 PolarHBondContact O-N 3.04Å; L32-I48 HydrophobicContact CD2-CD1 3.68Å; L32-Y94 HydrophobicContact CB-CD1 4.24Å; L32-Y94 HydrophobicContact CB-CE1 4.12Å; L32-Y94 HydrophobicContact CD1-CD2 3.95Å; L32-Y94 HydrophobicContact CD1-CE1 4.3Å; L32-Y94 HydrophobicContact CD1-CE2 3.47Å; L32-Y94 VanDerWaalsContact CD1-CE2 3.47Å
33A58.6Low77.7Confident103 Ų10370.3 Ų70.385%0.85139%0.386SS*.  trans-61.8108.1-178.800000110.9M31M31-A33 PolarHBondContact O-N 3.13Å; M31-A33 VanDerWaalsContact O-N 3.14Å
34G60.6Low77.3Confident49 Ų4966 Ų6651%0.50537%0.367SS..  trans-160.4150.7176.800000111.7L32 N36L32-G34 PolarHBondContact O-N 3.04Å; G34-N36 PolarHBondContact O-N 3.14Å; G34-N36 VanDerWaalsContact O-N 3.13Å
35P53.8Low76.9Confident133 Ų13365.9 Ų65.986%0.86437%0.367SS*.SBendtrans-70-5.9-174.725-32000114.8
36N57.2Low76.7Confident136 Ų13662.7 Ų62.773%0.72736%0.357SS*.SBendtrans-139.7128.1174.1-72.8-34.8000108.7G34 R38G34-N36 PolarHBondContact O-N 3.14Å; G34-N36 VanDerWaalsContact O-N 3.13Å; N36-R38 PolarHBondContact O-N 2.84Å
37D61.9Low76.8Confident127 Ų12762.6 Ų62.668%0.67936%0.357SS*.  trans-52.2115.6164.4-85.4-49.5000108.5S39D37-S39 PolarHBondContact O-N 2.72Å
38R70.6Confident76.8Confident111 Ų11160.1 Ų60.142%0.41935%0.347SS..  trans-74.266.8176.2-65.7-170.4178.4-166.9-0.7109.7N36 D40 V41 E42 E85N36-R38 PolarHBondContact O-N 2.84Å; R38-D40 VanDerWaalsContact C-OD1 3.23Å; R38-D40 WeakPolarHBondContact CA-OD1 3.29Å; R38-D40 PolarHBondContact O-N 3.33Å; R38-D40 VanDerWaalsContact O-N 3.11Å; R38-V41 HydrophobicContact CB-CB 4.26Å; R38-V41 HydrophobicContact CB-CG2 3.7Å; R38-V41 WeakPolarHBondContact O-CB 3.37Å; R38-V41 PolarHBondContact O-N 2.88Å; R38-E42 PolarHBondContact O-N 3.47Å; R38-E85 IonicContact CZ-OE2 2.77Å; R38-E85 IonicContact NH1-OE2 3.86Å; R38-E85 PolarHBondContact NH1-OE2 2.98Å; R38-E85 IonicContact NH2-OE2 3.8Å
39S75.1Confident77Confident50 Ų5059.8 Ų59.835%0.3535%0.345SS..Hα-helixtrans-58.8-23.3-178.767.40000112.7D37 V41 E42 K43D37-S39 PolarHBondContact O-N 2.72Å; S39-V41 VanDerWaalsContact C-N 3.35Å; S39-E42 PolarHBondContact O-N 2.96Å; S39-K43 WeakPolarHBondContact O-CD 3.49Å; S39-K43 WeakPolarHBondContact O-CE 3.28Å; S39-K43 WeakPolarHBondContact O-CG 3.46Å; S39-K43 PolarHBondContact O-N 2.95Å
40D78.1Confident77.4Confident103 Ų10359 Ų5955%0.55134%0.34SS*.Hα-helixtrans-62.2-36.2170.247-61.7000113.2R38R38-D40 VanDerWaalsContact C-OD1 3.23Å; R38-D40 WeakPolarHBondContact CA-OD1 3.29Å; R38-D40 PolarHBondContact O-N 3.33Å; R38-D40 VanDerWaalsContact O-N 3.11Å
41V82.3Confident78Confident5 Ų559.3 Ų59.33%0.0334%0.34CS..Hα-helixtrans-71.7-40.7174.9-1760000110.3V29 R38 S39 K43 G44 L84V29-V41 HydrophobicContact CG1-CG1 3.77Å; R38-V41 HydrophobicContact CB-CB 4.26Å; R38-V41 HydrophobicContact CB-CG2 3.7Å; R38-V41 WeakPolarHBondContact O-CB 3.37Å; R38-V41 PolarHBondContact O-N 2.88Å; S39-V41 VanDerWaalsContact C-N 3.35Å; V41-K43 VanDerWaalsContact C-N 3.28Å; V41-K43 PolarHBondContact O-N 3.11Å; V41-G44 PolarHBondContact O-N 3.43Å; V41-G44 VanDerWaalsContact O-N 3.12Å; V41-L84 HydrophobicContact CG1-CD2 4.35Å; V41-L84 HydrophobicContact CG2-CD2 3.58Å
42E83.3Confident78.7Confident67 Ų6756.8 Ų56.831%0.31333%0.332SS..Hα-helixtrans-63.6-34.8178.1-166.7-177.9-17300112.4V29 R38 S39 G44 H97V29-E42 HydrophobicContact CG2-CB 4.21Å; V29-E42 HydrophobicContact CG2-CG 4.49Å; R38-E42 PolarHBondContact O-N 3.47Å; S39-E42 PolarHBondContact O-N 2.96Å; E42-G44 PolarHBondContact O-N 2.96Å; E42-H97 HydrophobicContact CG-CB 4.41Å
43K81.2Confident79.4Confident77 Ų7754.7 Ų54.734%0.33532%0.321SS..THydrogen-bonded Turntrans-76.7-3.9176.8-67.3166.8-161.6-177.40113.9S39 V41 N162S39-K43 WeakPolarHBondContact O-CD 3.49Å; S39-K43 WeakPolarHBondContact O-CE 3.28Å; S39-K43 WeakPolarHBondContact O-CG 3.46Å; S39-K43 PolarHBondContact O-N 2.95Å; V41-K43 VanDerWaalsContact C-N 3.28Å; V41-K43 PolarHBondContact O-N 3.11Å; K43-N162 HydrophobicContact CD-CB 3.89Å; K43-N162 VanDerWaalsContact CE-ND2 3.32Å; K43-N162 WeakPolarHBondContact CE-ND2 3.45Å; K43-N162 HydrophobicContact CG-CB 3.73Å
44G84Confident80.9Confident3 Ų353.1 Ų53.13%0.03130%0.298CS..SBendtrans-112.2179.3-174.900000114.1V41 E42 W98V41-G44 PolarHBondContact O-N 3.43Å; V41-G44 VanDerWaalsContact O-N 3.12Å; E42-G44 PolarHBondContact O-N 2.96Å; G44-W98 PolarHBondContact O-NE1 2.87Å
45G83.9Confident82.3Confident4 Ų454.5 Ų54.54%0.04129%0.293CS..SBendtrans-109.531.5174.300000113.6G82 N149G45-G82 PolarHBondContact O-N 3.02Å; G45-N149 PolarHBondContact N-O 2.84Å
46K90Very high83.9Confident70 Ų7052 Ų5230%0.30427%0.27SS..EExtended strand (participates in β ladder)trans-117.8138.3-176.8-55.4174.7-174.7172.10110.4G82 L84K46-G82 CarbonylContact C-O 3.59Å; K46-G82 VanDerWaalsContact CA-O 3.29Å; K46-G82 WeakPolarHBondContact CA-O 3.5Å; K46-L84 HydrophobicContact CB-CB 3.71Å; K46-L84 HydrophobicContact CD-CB 4.33Å; K46-L84 HydrophobicContact CD-CD1 3.76Å
47I92.1Very high85.5Confident0 Ų045.5 Ų45.50%024%0.235CC..EExtended strand (participates in β ladder)trans-109.4159.7-17765.7161.9000110.7M49 C81 G82 L84 Y94 L95 M99I47-M49 HydrophobicContact CD1-CG 3.74Å; I47-M49 HydrophobicContact CD1-SD 3.92Å; I47-M49 HydrophobicContact CG1-CG 4.1Å; I47-C81 HydrophobicContact CG2-CB 3.97Å; I47-G82 WeakPolarHBondContact CG1-O 3.41Å; I47-G82 PolarHBondContact N-O 2.84Å; I47-L84 PolarHBondContact O-N 3Å; I47-Y94 WeakPolarHBondContact CB-O 3.3Å; I47-L95 HydrophobicContact CB-CD2 3.98Å; I47-L95 HydrophobicContact CD1-CD2 4.38Å; I47-L95 HydrophobicContact CG2-CD2 3.34Å; I47-M99 HydrophobicContact CG2-CE 4.41Å; I47-M99 HydrophobicContact CG2-SD 3.9Å
48I92Very high86.7Confident1 Ų143.1 Ų43.11%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-106.9126.5174.5-52.9172000108.2L32 E85 V87 A88 C93 Y94L32-I48 HydrophobicContact CD2-CD1 3.68Å; I48-E85 WeakPolarHBondContact CA-O 3.27Å; I48-E85 WeakPolarHBondContact CG2-O 3.35Å; I48-V87 HydrophobicContact CG2-CG2 3.53Å; I48-A88 HydrophobicContact CG2-CB 4.08Å; I48-C93 WeakPolarHBondContact O-CA 3.43Å; I48-Y94 HydrophobicContact CB-CD2 4.35Å; I48-Y94 PolarHBondContact N-O 3.1Å; I48-Y94 VanDerWaalsContact N-O 3.08Å; I48-Y94 PolarHBondContact O-N 3.24Å
49M92.9Very high87.6Confident0 Ų046.3 Ų46.30%024%0.241CC..  trans-116.1165.6-176.1-70-163.578.100111.1F20 Y24 I47 A53 F68 V83 E85 F86 V87 A88 V113F20-M49 HydrophobicContact CE1-CE 4.13Å; F20-M49 HydrophobicContact CZ-CE 4.24Å; Y24-M49 HydrophobicContact CD2-CE 4.12Å; Y24-M49 HydrophobicContact CE2-CE 3.71Å; I47-M49 HydrophobicContact CD1-CG 3.74Å; I47-M49 HydrophobicContact CD1-SD 3.92Å; I47-M49 HydrophobicContact CG1-CG 4.1Å; M49-A53 HydrophobicContact CB-CB 4.41Å; M49-A53 HydrophobicContact CE-CB 3.96Å; M49-F68 HydrophobicContact SD-CD2 4.1Å; M49-F68 HydrophobicContact SD-CE1 4.36Å; M49-F68 HydrophobicContact SD-CE2 3.92Å; M49-F68 HydrophobicContact SD-CG 4.44Å; M49-F68 HydrophobicContact SD-CZ 4.05Å; M49-V83 HydrophobicContact CB-CG2 4.25Å; M49-V83 HydrophobicContact CG-CG2 4.17Å; M49-E85 PolarHBondContact N-O 3.17Å; M49-E85 VanDerWaalsContact N-O 3.11Å; M49-F86 HydrophobicContact CB-CD1 3.68Å; M49-F86 HydrophobicContact CB-CE1 3.82Å; M49-F86 CarbonylContact O-C 3.22Å; M49-F86 WeakPolarHBondContact O-CA 3.45Å; M49-F86 HydrophobicContact SD-CE1 4.46Å; M49-V87 PolarHBondContact O-N 2.89Å; M49-V87 VanDerWaalsContact O-N 3.11Å; M49-A88 WeakPolarHBondContact O-CB 3.48Å; M49-A88 PolarHBondContact O-N 2.82Å; M49-V113 HydrophobicContact CE-CG1 4.01Å
50P93.8Very high88.1Confident0 Ų045.8 Ų45.80%023%0.234CC..  trans-78.9153177.227.1-29.6000112Y24 S52 A53 F86 A88 I92Y24-P50 HydrophobicContact CD1-CG 4.14Å; Y24-P50 HydrophobicContact CE1-CG 3.47Å; Y24-P50 VanDerWaalsContact CE1-CG 3.47Å; P50-S52 PolarHBondContact O-N 3.37Å; P50-S52 VanDerWaalsContact O-N 3.16Å; P50-A53 HydrophobicContact CG-CB 4.33Å; P50-A53 VanDerWaalsContact O-CB 3.26Å; P50-A53 WeakPolarHBondContact O-CB 3.49Å; P50-A53 PolarHBondContact O-N 2.94Å; P50-F86 WeakPolarHBondContact O-CD1 3.36Å; P50-A88 WeakPolarHBondContact CA-O 3.44Å; P50-I92 WeakPolarHBondContact CD-O 3.41Å
51P93.2Very high88.3Confident70 Ų7047.5 Ų47.546%0.45524%0.243SC..Hα-helixtrans-60.3-27.1179.125-34.5000113.2A53 L54 D55 A88P51-A53 PolarHBondContact O-N 3.08Å; P51-L54 WeakPolarHBondContact O-CB 3.48Å; P51-L54 PolarHBondContact O-N 3.46Å; P51-L54 VanDerWaalsContact O-N 3.12Å; P51-D55 PolarHBondContact O-N 3.19Å; P51-A88 VanDerWaalsContact CD-O 3.29Å; P51-A88 WeakPolarHBondContact CD-O 3.23Å
52S92.1Very high88.3Confident40 Ų4048.7 Ų48.728%0.2825%0.249SC..Hα-helixtrans-62-30.2173.155.20000113.1P50 Q56P50-S52 PolarHBondContact O-N 3.37Å; P50-S52 VanDerWaalsContact O-N 3.16Å; S52-Q56 WeakPolarHBondContact O-CG 3.49Å; S52-Q56 PolarHBondContact O-N 3.46Å
53A90.7Very high88.1Confident0 Ų050.6 Ų50.60%027%0.265CS..Hα-helixtrans-66.4-42.3173.200000110.9F20 M49 P50 P51 D55 Q56 L57 F86F20-A53 HydrophobicContact CE2-CB 4.19Å; F20-A53 HydrophobicContact CZ-CB 3.84Å; M49-A53 HydrophobicContact CB-CB 4.41Å; M49-A53 HydrophobicContact CE-CB 3.96Å; P50-A53 HydrophobicContact CG-CB 4.33Å; P50-A53 VanDerWaalsContact O-CB 3.26Å; P50-A53 WeakPolarHBondContact O-CB 3.49Å; P50-A53 PolarHBondContact O-N 2.94Å; P51-A53 PolarHBondContact O-N 3.08Å; A53-D55 PolarHBondContact O-N 2.97Å; A53-Q56 PolarHBondContact O-N 3.34Å; A53-L57 WeakPolarHBondContact O-CG 3.35Å; A53-L57 PolarHBondContact O-N 3.02Å; A53-F86 HydrophobicContact CB-CD1 4.31Å; A53-F86 HydrophobicContact CB-CE1 4.1Å
54L90.1Very high88Confident69 Ų6955.3 Ų55.336%0.36128%0.282SS..Hα-helixtrans-61.7-42.6179-17959.2000112.4P51 Q56 L57 S58 M66 F86P51-L54 WeakPolarHBondContact O-CB 3.48Å; P51-L54 PolarHBondContact O-N 3.46Å; P51-L54 VanDerWaalsContact O-N 3.12Å; L54-Q56 VanDerWaalsContact C-N 3.32Å; L54-Q56 PolarHBondContact O-N 3.32Å; L54-L57 PolarHBondContact O-N 3.33Å; L54-S58 WeakPolarHBondContact O-CB 3.44Å; L54-S58 PolarHBondContact O-N 3.03Å; L54-M66 HydrophobicContact CD1-CE 4.09Å; L54-M66 HydrophobicContact CD1-SD 4.41Å; L54-F86 HydrophobicContact CB-CB 4.24Å; L54-F86 HydrophobicContact CB-CD1 3.75Å; L54-F86 HydrophobicContact CB-CD2 3.97Å; L54-F86 HydrophobicContact CB-CE1 3.96Å; L54-F86 HydrophobicContact CB-CE2 4.19Å; L54-F86 HydrophobicContact CB-CG 3.73Å; L54-F86 HydrophobicContact CB-CZ 4.17Å; L54-F86 HydrophobicContact CD1-CD2 4.03Å; L54-F86 HydrophobicContact CD1-CE2 3.69Å; L54-F86 HydrophobicContact CD1-CZ 4.01Å; L54-F86 HydrophobicContact CD2-CB 4.39Å; L54-F86 HydrophobicContact CD2-CD2 3.9Å; L54-F86 HydrophobicContact CD2-CE2 4.41Å; L54-F86 HydrophobicContact CD2-CG 4.22Å; L54-F86 HydrophobicContact CG-CD2 4.18Å; L54-F86 HydrophobicContact CG-CE2 4.31Å; L54-F86 HydrophobicContact CG-CG 4.41Å
55D89.8Confident88.1Confident78 Ų7857.3 Ų57.342%0.41730%0.295SS..Hα-helixtrans-60.1-43.7176.5-176.940.9000111.2P51 A53 S58 R59P51-D55 PolarHBondContact O-N 3.19Å; A53-D55 PolarHBondContact O-N 2.97Å; D55-S58 PolarHBondContact O-N 3.11Å; D55-R59 VanDerWaalsContact O-CG 3.27Å; D55-R59 WeakPolarHBondContact O-CG 3.47Å; D55-R59 PolarHBondContact O-N 3.16Å; D55-R59 IonicContact OD1-NE 3.33Å; D55-R59 PolarHBondContact OD1-NE 2.77Å; D55-R59 IonicContact OD1-NH2 2.68Å; D55-R59 IonicContact OD2-CZ 3.31Å; D55-R59 VanDerWaalsContact OD2-CZ 3.31Å; D55-R59 IonicContact OD2-NE 3.02Å; D55-R59 PolarHBondContact OD2-NE 3.06Å; D55-R59 IonicContact OD2-NH2 2.86Å; D55-R59 PolarHBondContact OD2-NH2 2.94Å
56Q88.8Confident88.3Confident80 Ų8058.7 Ų58.737%0.37430%0.301SS..Hα-helixtrans-63.6-43.8175.8-68.1-17912.300112.3F20 S52 A53 L54 S58 R59 L60F20-Q56 HydrophobicContact CD2-CB 3.88Å; F20-Q56 HydrophobicContact CE2-CB 3.88Å; S52-Q56 WeakPolarHBondContact O-CG 3.49Å; S52-Q56 PolarHBondContact O-N 3.46Å; A53-Q56 PolarHBondContact O-N 3.34Å; L54-Q56 VanDerWaalsContact C-N 3.32Å; L54-Q56 PolarHBondContact O-N 3.32Å; Q56-S58 VanDerWaalsContact C-N 3.32Å; Q56-S58 PolarHBondContact O-N 3.11Å; Q56-R59 PolarHBondContact O-N 3.24Å; Q56-L60 VanDerWaalsContact O-CG 3.3Å; Q56-L60 WeakPolarHBondContact O-CG 3.41Å; Q56-L60 PolarHBondContact O-N 3.14Å; Q56-L60 VanDerWaalsContact O-N 3.1Å
57L89.6Confident88.4Confident0 Ų055.5 Ų55.50%029%0.287CS..Hα-helixtrans-63.9-38.3178-65.5165.5000112F20 A53 L54 L60 N61 I62 M66 F68 F86F20-L57 HydrophobicContact CB-CD2 3.69Å; F20-L57 HydrophobicContact CD1-CD2 4.12Å; F20-L57 HydrophobicContact CD2-CD2 3.94Å; F20-L57 HydrophobicContact CD2-CG 4.24Å; F20-L57 HydrophobicContact CG-CD2 3.68Å; F20-L57 HydrophobicContact CG-CG 4.44Å; A53-L57 WeakPolarHBondContact O-CG 3.35Å; A53-L57 PolarHBondContact O-N 3.02Å; L54-L57 PolarHBondContact O-N 3.33Å; L57-L60 CarbonylContact O-C 3.6Å; L57-L60 PolarHBondContact O-N 2.96Å; L57-N61 PolarHBondContact O-N 3.36Å; L57-I62 HydrophobicContact CD2-CD1 3.44Å; L57-I62 VanDerWaalsContact CD2-CD1 3.44Å; L57-I62 PolarHBondContact O-N 2.83Å; L57-I62 VanDerWaalsContact O-N 3.13Å; L57-M66 HydrophobicContact CD1-SD 4.02Å; L57-F68 HydrophobicContact CD1-CE1 4.04Å; L57-F68 HydrophobicContact CD1-CZ 3.56Å; L57-F68 HydrophobicContact CD2-CE1 3.85Å; L57-F68 HydrophobicContact CD2-CZ 4.12Å; L57-F68 HydrophobicContact CG-CZ 4.5Å; L57-F86 HydrophobicContact CD1-CE1 3.94Å; L57-F86 HydrophobicContact CD1-CZ 3.8Å
58S87.9Confident88.5Confident78 Ų7855.6 Ų55.655%0.54529%0.287SS..Hα-helixtrans-64.6-41.6175.7-173.70000111.8L54 D55 Q56 L60 N61L54-S58 WeakPolarHBondContact O-CB 3.44Å; L54-S58 PolarHBondContact O-N 3.03Å; D55-S58 PolarHBondContact O-N 3.11Å; Q56-S58 VanDerWaalsContact C-N 3.32Å; Q56-S58 PolarHBondContact O-N 3.11Å; S58-L60 PolarHBondContact O-N 2.93Å; S58-N61 PolarHBondContact O-N 3.07Å; S58-N61 VanDerWaalsContact O-N 3.1Å
59R88.3Confident88.6Confident178 Ų17858 Ų5867%0.67230%0.298SS*.Hα-helixtrans-64.8-30175.3-69.6168.2-171-126.69.1112.8D55 Q56 N61D55-R59 VanDerWaalsContact O-CG 3.27Å; D55-R59 WeakPolarHBondContact O-CG 3.47Å; D55-R59 PolarHBondContact O-N 3.16Å; D55-R59 IonicContact OD1-NE 3.33Å; D55-R59 PolarHBondContact OD1-NE 2.77Å; D55-R59 IonicContact OD1-NH2 2.68Å; D55-R59 IonicContact OD2-CZ 3.31Å; D55-R59 VanDerWaalsContact OD2-CZ 3.31Å; D55-R59 IonicContact OD2-NE 3.02Å; D55-R59 PolarHBondContact OD2-NE 3.06Å; D55-R59 IonicContact OD2-NH2 2.86Å; D55-R59 PolarHBondContact OD2-NH2 2.94Å; Q56-R59 PolarHBondContact O-N 3.24Å; R59-N61 PolarHBondContact O-N 3.12Å
60L86.4Confident88.6Confident39 Ų3958.1 Ų58.120%0.20430%0.298CS..THydrogen-bonded Turntrans-83.42.6176.1-66.4170.1000112.9N18 F20 Q56 L57 S58 I62N18-L60 WeakPolarHBondContact OD1-CD2 3.26Å; F20-L60 HydrophobicContact CB-CD1 3.72Å; Q56-L60 VanDerWaalsContact O-CG 3.3Å; Q56-L60 WeakPolarHBondContact O-CG 3.41Å; Q56-L60 PolarHBondContact O-N 3.14Å; Q56-L60 VanDerWaalsContact O-N 3.1Å; L57-L60 CarbonylContact O-C 3.6Å; L57-L60 PolarHBondContact O-N 2.96Å; S58-L60 PolarHBondContact O-N 2.93Å; L60-I62 HydrophobicContact CB-CD1 3.91Å; L60-I62 HydrophobicContact CB-CG1 4.05Å; L60-I62 HydrophobicContact CD1-CD1 4.21Å; L60-I62 PolarHBondContact O-N 2.84Å
61N82.3Confident88.5Confident139 Ų13959.6 Ų59.674%0.74331%0.307SS*.THydrogen-bonded Turntrans54.834.4-178-65.695.1000113.5L57 S58 R59 T63L57-N61 PolarHBondContact O-N 3.36Å; S58-N61 PolarHBondContact O-N 3.07Å; S58-N61 VanDerWaalsContact O-N 3.1Å; R59-N61 PolarHBondContact O-N 3.12Å; N61-T63 PolarHBondContact O-N 3.22Å
62I82.3Confident88.5Confident29 Ų2956.3 Ų56.315%0.14929%0.286CS..  trans-76.9112.8177.2-65.1164.8000108.6F20 L57 L60 M66F20-I62 HydrophobicContact CB-CD1 4.37Å; L57-I62 HydrophobicContact CD2-CD1 3.44Å; L57-I62 VanDerWaalsContact CD2-CD1 3.44Å; L57-I62 PolarHBondContact O-N 2.83Å; L57-I62 VanDerWaalsContact O-N 3.13Å; L60-I62 HydrophobicContact CB-CD1 3.91Å; L60-I62 HydrophobicContact CB-CG1 4.05Å; L60-I62 HydrophobicContact CD1-CD1 4.21Å; L60-I62 PolarHBondContact O-N 2.84Å; I62-M66 HydrophobicContact CG2-CG 4.16Å; I62-M66 WeakPolarHBondContact O-CE 3.44Å
63T78.9Confident88.3Confident107 Ų10760.1 Ų60.166%0.65630%0.297SS*.PPolyproline II helixtrans-84.5158.1176.3510000111.6N61N61-T63 PolarHBondContact O-N 3.22Å
64Y79.9Confident88.1Confident176 Ų17666.7 Ų66.769%0.6933%0.333SS*.SBendtrans-60.3142.1172.4-176-93.2000110.7
65P84.7Confident87.7Confident45 Ų4565.6 Ų65.629%0.29233%0.331SS..SBendcis-78.9133.4030.5-33.9000114.3L67 I184P65-L67 HydrophobicContact CB-CD2 4.13Å; P65-L67 HydrophobicContact CB-CG 4.38Å; P65-L67 PolarHBondContact O-N 3.41Å; P65-I184 HydrophobicContact CB-CD1 3.29Å; P65-I184 HydrophobicContact CG-CD1 3.98Å
66M89.4Confident87.5Confident33 Ų3369 Ų6916%0.16335%0.349CS..  trans-84.9101175.2-66.6178.5-178.300109.7L54 L57 I62 F68 V83 F86L54-M66 HydrophobicContact CD1-CE 4.09Å; L54-M66 HydrophobicContact CD1-SD 4.41Å; L57-M66 HydrophobicContact CD1-SD 4.02Å; I62-M66 HydrophobicContact CG2-CG 4.16Å; I62-M66 WeakPolarHBondContact O-CE 3.44Å; M66-F68 HydrophobicContact CB-CE2 4.02Å; M66-F68 HydrophobicContact CB-CZ 4.11Å; M66-V83 HydrophobicContact CB-CG1 3.83Å; M66-V83 HydrophobicContact SD-CG1 4.47Å; M66-F86 HydrophobicContact SD-CE2 4.2Å; M66-F86 HydrophobicContact SD-CZ 3.98Å
67L92Very high87.5Confident4 Ų470.4 Ų70.42%0.02135%0.351CS..EExtended strand (participates in β ladder)trans-107.5146.6178.5-47.6177.9000110P65 V116 L118 A151 C152 I184P65-L67 HydrophobicContact CB-CD2 4.13Å; P65-L67 HydrophobicContact CB-CG 4.38Å; P65-L67 PolarHBondContact O-N 3.41Å; L67-V116 HydrophobicContact CB-CG2 4.22Å; L67-V116 WeakPolarHBondContact CB-O 3.48Å; L67-V116 PolarHBondContact O-N 2.88Å; L67-L118 HydrophobicContact CD1-CB 3.85Å; L67-L118 HydrophobicContact CD1-CD1 4.11Å; L67-L118 HydrophobicContact CD1-CG 3.98Å; L67-A151 HydrophobicContact CD2-CB 4.09Å; L67-C152 WeakPolarHBondContact CD2-SG 3.46Å; L67-I184 HydrophobicContact CD2-CD1 3.84Å
68F93.3Very high87.6Confident1 Ų174.1 Ų74.10%0.00437%0.369CS..EExtended strand (participates in β ladder)trans-128.3143.1-177.7-59-78000110.6F20 M49 L57 M66 H80 C81 V83 V113 E114F20-F68 HydrophobicContact CD1-CD1 4.41Å; F20-F68 HydrophobicContact CD1-CE1 4.1Å; F20-F68 HydrophobicContact CE1-CE1 4.27Å; M49-F68 HydrophobicContact SD-CD2 4.1Å; M49-F68 HydrophobicContact SD-CE1 4.36Å; M49-F68 HydrophobicContact SD-CE2 3.92Å; M49-F68 HydrophobicContact SD-CG 4.44Å; M49-F68 HydrophobicContact SD-CZ 4.05Å; L57-F68 HydrophobicContact CD1-CE1 4.04Å; L57-F68 HydrophobicContact CD1-CZ 3.56Å; L57-F68 HydrophobicContact CD2-CE1 3.85Å; L57-F68 HydrophobicContact CD2-CZ 4.12Å; L57-F68 HydrophobicContact CG-CZ 4.5Å; M66-F68 HydrophobicContact CB-CE2 4.02Å; M66-F68 HydrophobicContact CB-CZ 4.11Å; F68-H80 CarbonylContact O-C 3.5Å; F68-H80 VanDerWaalsContact O-CA 3.28Å; F68-H80 WeakPolarHBondContact O-CA 3.2Å; F68-C81 PolarHBondContact N-O 3.05Å; F68-C81 PolarHBondContact O-N 3.03Å; F68-V83 HydrophobicContact CD2-CB 4.38Å; F68-V83 HydrophobicContact CE2-CB 3.78Å; F68-V83 HydrophobicContact CE2-CG1 3.86Å; F68-V113 HydrophobicContact CB-CG1 3.83Å; F68-V113 HydrophobicContact CD1-CG1 3.79Å; F68-V113 HydrophobicContact CG-CG1 3.98Å; F68-E114 CarbonylContact C-O 3.54Å; F68-E114 VanDerWaalsContact CA-O 3.26Å; F68-E114 WeakPolarHBondContact CA-O 3.24Å
69K93.3Very high87.8Confident53 Ų5370.4 Ų70.423%0.2334%0.343CS..EExtended strand (participates in β ladder)trans-98.2120.4166.2177.4-178.6177.5-173.90107.8T71 M78 V113 E114 V116K69-T71 WeakPolarHBondContact CE-OG1 3.12Å; K69-M78 VanDerWaalsContact CE-SD 3.52Å; K69-V113 WeakPolarHBondContact O-CA 3.33Å; K69-E114 HydrophobicContact CB-CB 4.43Å; K69-E114 PolarHBondContact N-O 3Å; K69-E114 PolarHBondContact O-N 3.44Å; K69-V116 HydrophobicContact CB-CG1 3.42Å; K69-V116 VanDerWaalsContact CB-CG1 3.42Å; K69-V116 HydrophobicContact CB-CG2 4.43Å
70L93.4Very high88.1Confident1 Ų162.6 Ų62.61%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-95123.2171.7-64.5176.3000108.1M78 T79 C81 L95 M99 L103 V111 Q112 V113L70-M78 CarbonylContact O-C 3.56Å; L70-M78 WeakPolarHBondContact O-CA 3.08Å; L70-T79 HydrophobicContact CB-CG2 3.82Å; L70-T79 HydrophobicContact CD1-CG2 4Å; L70-T79 HydrophobicContact CG-CG2 4.43Å; L70-T79 PolarHBondContact N-O 2.86Å; L70-T79 PolarHBondContact O-N 3.21Å; L70-C81 HydrophobicContact CD1-CB 4.29Å; L70-C81 WeakPolarHBondContact CD1-SG 3.45Å; L70-L95 HydrophobicContact CD1-CD1 4.49Å; L70-L95 HydrophobicContact CD1-CD2 3.74Å; L70-M99 HydrophobicContact CD1-CG 4.36Å; L70-M99 HydrophobicContact CD1-SD 3.41Å; L70-M99 WeakPolarHBondContact CD1-SD 3.27Å; L70-L103 HydrophobicContact CB-CD1 4.12Å; L70-L103 HydrophobicContact CD1-CD1 4.3Å; L70-V111 HydrophobicContact CB-CG1 3.84Å; L70-V111 HydrophobicContact CD2-CG1 3.83Å; L70-V111 HydrophobicContact CG-CG1 4.39Å; L70-Q112 CarbonylContact C-O 3.59Å; L70-Q112 WeakPolarHBondContact CA-O 3.38Å; L70-V113 HydrophobicContact CD2-CB 4.24Å; L70-V113 HydrophobicContact CD2-CG1 4.09Å; L70-V113 HydrophobicContact CD2-CG2 3.58Å
71T92.7Very high88.3Confident31 Ų3160.7 Ų60.719%0.1930%0.304CS..EExtended strand (participates in β ladder)trans-122.1119.4176.6-51.90000109.3K69 Q112K69-T71 WeakPolarHBondContact CE-OG1 3.12Å; T71-Q112 PolarHBondContact N-O 2.78Å; T71-Q112 PolarHBondContact O-N 2.92Å
72N92.2Very high88.8Confident1 Ų154.2 Ų54.21%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-90.4114171.1-176.52.8000109.3N74 S75 D76 R77 L103 L105N72-N74 PolarHBondContact O-N 2.9Å; N72-N74 WeakPolarHBondContact OD1-CB 3.45Å; N72-N74 PolarHBondContact OD1-N 2.86Å; N72-N74 PolarHBondContact OD1-ND2 3.23Å; N72-N74 VanDerWaalsContact OD1-ND2 3.09Å; N72-S75 PolarHBondContact ND2-OG 3.32Å; N72-D76 WeakPolarHBondContact O-CA 3.18Å; N72-D76 PolarHBondContact O-N 3.13Å; N72-D76 VanDerWaalsContact O-N 3.14Å; N72-R77 PolarHBondContact N-O 2.81Å; N72-L103 HydrophobicContact CB-CD2 4.33Å; N72-L103 PolarHBondContact ND2-O 2.76Å; N72-L105 HydrophobicContact CB-CD2 4.19Å; N72-L105 VanDerWaalsContact ND2-CD2 3.28Å; N72-L105 WeakPolarHBondContact ND2-CD2 3.46Å
73K87.6Confident89.2Confident120 Ų12054 Ų5452%0.52227%0.27SS..THydrogen-bonded Turntrans-69.6-18.6178.9-68-175176.8171.80114.1Q23Q23-K73 VanDerWaalsContact NE2-NZ 3.13Å
74N87Confident89.7Confident138 Ų13852 Ų5274%0.73826%0.255SS*.THydrogen-bonded Turntrans-82.9-37.5-175.4-60.7-104.1000110.9N72N72-N74 PolarHBondContact O-N 2.9Å; N72-N74 WeakPolarHBondContact OD1-CB 3.45Å; N72-N74 PolarHBondContact OD1-N 2.86Å; N72-N74 PolarHBondContact OD1-ND2 3.23Å; N72-N74 VanDerWaalsContact OD1-ND2 3.09Å
75S82.4Confident90.2Very high46 Ų4647.4 Ų47.432%0.32224%0.24SC..THydrogen-bonded Turntrans-1091.3-173.8-53.10000113.2N72 R77N72-S75 PolarHBondContact ND2-OG 3.32Å; S75-R77 WeakPolarHBondContact O-CG 3.44Å; S75-R77 PolarHBondContact O-N 2.69Å
76D85.6Confident90.5Very high149 Ų14947.1 Ų47.180%0.79723%0.234SC*.THydrogen-bonded Turntrans47.431.3-172-84.2-24.3000113.8N72N72-D76 WeakPolarHBondContact O-CA 3.18Å; N72-D76 PolarHBondContact O-N 3.13Å; N72-D76 VanDerWaalsContact O-N 3.14Å
77R88.6Confident90.5Very high110 Ų11049.4 Ų49.442%0.41525%0.25SC..EExtended strand (participates in β ladder)trans-98.9144.3176.5-68.3-167.1177.4-158.2-1.2110.4N72 S75 N102 L103N72-R77 PolarHBondContact N-O 2.81Å; S75-R77 WeakPolarHBondContact O-CG 3.44Å; S75-R77 PolarHBondContact O-N 2.69Å; R77-N102 WeakPolarHBondContact CD-O 3.36Å; R77-N102 PolarHBondContact NH1-O 3.21Å; R77-L103 HydrophobicContact CB-CD2 4.03Å
78M91.6Very high90.4Very high78 Ų7849.5 Ų49.538%0.38425%0.251SS..EExtended strand (participates in β ladder)trans-130.7145.4173.866.7177.6-174.400110.1K69 L70K69-M78 VanDerWaalsContact CE-SD 3.52Å; L70-M78 CarbonylContact O-C 3.56Å; L70-M78 WeakPolarHBondContact O-CA 3.08Å
79T92.9Very high90.3Very high0 Ų054.3 Ų54.30%028%0.277CS..EExtended strand (participates in β ladder)trans-141.4164.4171.9-173.50000108.8L70 M99 L103 D157L70-T79 HydrophobicContact CB-CG2 3.82Å; L70-T79 HydrophobicContact CD1-CG2 4Å; L70-T79 HydrophobicContact CG-CG2 4.43Å; L70-T79 PolarHBondContact N-O 2.86Å; L70-T79 PolarHBondContact O-N 3.21Å; T79-M99 HydrophobicContact CG2-CG 3.98Å; T79-M99 HydrophobicContact CG2-SD 4.3Å; T79-L103 HydrophobicContact CG2-CD1 3.64Å; T79-L103 HydrophobicContact CG2-CD2 3.83Å; T79-L103 HydrophobicContact CG2-CG 3.78Å; T79-D157 WeakPolarHBondContact CB-OD2 3.42Å; T79-D157 PolarHBondContact OG1-OD2 3.37Å
80H93.1Very high90.3Very high14 Ų1459.3 Ų59.37%0.06530%0.301CS..EExtended strand (participates in β ladder)trans-120.5138.6179.2-60.879.8000109.3F68 L118 C152 T154 A180F68-H80 CarbonylContact O-C 3.5Å; F68-H80 VanDerWaalsContact O-CA 3.28Å; F68-H80 WeakPolarHBondContact O-CA 3.2Å; H80-L118 HydrophobicContact CB-CD1 4.05Å; H80-C152 HydrophobicContact CB-CB 3.74Å; H80-T154 PolarHBondContact N-OG1 2.68Å; H80-T154 VanDerWaalsContact N-OG1 3.16Å; H80-T154 WeakPolarHBondContact ND1-CG2 3.44Å; H80-T154 PolarHBondContact ND1-OG1 3.42Å; H80-A180 WeakPolarHBondContact CE1-CB 3.27Å; H80-A180 WeakPolarHBondContact ND1-CB 3.45Å
81C91.9Very high90Very high0 Ų061 Ų610%032%0.318CS..EExtended strand (participates in β ladder)trans-142.8156.4-17764.70000111.3I47 F68 L70 M99I47-C81 HydrophobicContact CG2-CB 3.97Å; F68-C81 PolarHBondContact N-O 3.05Å; F68-C81 PolarHBondContact O-N 3.03Å; L70-C81 HydrophobicContact CD1-CB 4.29Å; L70-C81 WeakPolarHBondContact CD1-SG 3.45Å; C81-M99 HydrophobicContact CB-CE 3.53Å; C81-M99 HydrophobicContact CB-SD 4.02Å
82G91.5Very high90Very high2 Ų261.2 Ų61.22%0.02132%0.318CS..EExtended strand (participates in β ladder)trans-92.8166.4167.200000111G45 K46 I47G45-G82 PolarHBondContact O-N 3.02Å; K46-G82 CarbonylContact C-O 3.59Å; K46-G82 VanDerWaalsContact CA-O 3.29Å; K46-G82 WeakPolarHBondContact CA-O 3.5Å; I47-G82 WeakPolarHBondContact CG1-O 3.41Å; I47-G82 PolarHBondContact N-O 2.84Å
83V91Very high89.9Confident26 Ų2661.2 Ų61.216%0.15832%0.318CS..EExtended strand (participates in β ladder)trans-94.6139.7167.3620000110.4M49 M66 F68 F86M49-V83 HydrophobicContact CB-CG2 4.25Å; M49-V83 HydrophobicContact CG-CG2 4.17Å; M66-V83 HydrophobicContact CB-CG1 3.83Å; M66-V83 HydrophobicContact SD-CG1 4.47Å; F68-V83 HydrophobicContact CD2-CB 4.38Å; F68-V83 HydrophobicContact CE2-CB 3.78Å; F68-V83 HydrophobicContact CE2-CG1 3.86Å; V83-F86 HydrophobicContact CB-CZ 4.25Å; V83-F86 HydrophobicContact CG1-CE2 3.98Å; V83-F86 HydrophobicContact CG1-CZ 3.84Å; V83-F86 HydrophobicContact CG2-CD1 4.36Å; V83-F86 HydrophobicContact CG2-CD2 4.29Å; V83-F86 HydrophobicContact CG2-CE1 3.95Å; V83-F86 HydrophobicContact CG2-CE2 3.85Å; V83-F86 HydrophobicContact CG2-CZ 3.69Å
84L89.3Confident90.2Very high63 Ų6356.2 Ų56.233%0.3330%0.296SS..EExtended strand (participates in β ladder)trans-88.5-61.9170.7-177.559.9000110.2V41 K46 I47V41-L84 HydrophobicContact CG1-CD2 4.35Å; V41-L84 HydrophobicContact CG2-CD2 3.58Å; K46-L84 HydrophobicContact CB-CB 3.71Å; K46-L84 HydrophobicContact CD-CB 4.33Å; K46-L84 HydrophobicContact CD-CD1 3.76Å; I47-L84 PolarHBondContact O-N 3Å
85E90.1Very high90.4Very high80 Ų8049.7 Ų49.737%0.37426%0.261SS..EExtended strand (participates in β ladder)trans-148.4158.8-172.2-77.1175.1163.800110.5R38 I48 M49 V87R38-E85 IonicContact CZ-OE2 2.77Å; R38-E85 IonicContact NH1-OE2 3.86Å; R38-E85 PolarHBondContact NH1-OE2 2.98Å; R38-E85 IonicContact NH2-OE2 3.8Å; I48-E85 WeakPolarHBondContact CA-O 3.27Å; I48-E85 WeakPolarHBondContact CG2-O 3.35Å; M49-E85 PolarHBondContact N-O 3.17Å; M49-E85 VanDerWaalsContact N-O 3.11Å; E85-V87 HydrophobicContact CB-CG1 4.44Å; E85-V87 HydrophobicContact CB-CG2 4.35Å
86F91.4Very high90.8Very high40 Ų4047.5 Ų47.518%0.17525%0.246CC..SBendtrans-10965.9179.3-65.5-87.4000111.7M49 P50 A53 L54 L57 M66 V83M49-F86 HydrophobicContact CB-CD1 3.68Å; M49-F86 HydrophobicContact CB-CE1 3.82Å; M49-F86 CarbonylContact O-C 3.22Å; M49-F86 WeakPolarHBondContact O-CA 3.45Å; M49-F86 HydrophobicContact SD-CE1 4.46Å; P50-F86 WeakPolarHBondContact O-CD1 3.36Å; A53-F86 HydrophobicContact CB-CD1 4.31Å; A53-F86 HydrophobicContact CB-CE1 4.1Å; L54-F86 HydrophobicContact CB-CB 4.24Å; L54-F86 HydrophobicContact CB-CD1 3.75Å; L54-F86 HydrophobicContact CB-CD2 3.97Å; L54-F86 HydrophobicContact CB-CE1 3.96Å; L54-F86 HydrophobicContact CB-CE2 4.19Å; L54-F86 HydrophobicContact CB-CG 3.73Å; L54-F86 HydrophobicContact CB-CZ 4.17Å; L54-F86 HydrophobicContact CD1-CD2 4.03Å; L54-F86 HydrophobicContact CD1-CE2 3.69Å; L54-F86 HydrophobicContact CD1-CZ 4.01Å; L54-F86 HydrophobicContact CD2-CB 4.39Å; L54-F86 HydrophobicContact CD2-CD2 3.9Å; L54-F86 HydrophobicContact CD2-CE2 4.41Å; L54-F86 HydrophobicContact CD2-CG 4.22Å; L54-F86 HydrophobicContact CG-CD2 4.18Å; L54-F86 HydrophobicContact CG-CE2 4.31Å; L54-F86 HydrophobicContact CG-CG 4.41Å; L57-F86 HydrophobicContact CD1-CE1 3.94Å; L57-F86 HydrophobicContact CD1-CZ 3.8Å; M66-F86 HydrophobicContact SD-CE2 4.2Å; M66-F86 HydrophobicContact SD-CZ 3.98Å; V83-F86 HydrophobicContact CB-CZ 4.25Å; V83-F86 HydrophobicContact CG1-CE2 3.98Å; V83-F86 HydrophobicContact CG1-CZ 3.84Å; V83-F86 HydrophobicContact CG2-CD1 4.36Å; V83-F86 HydrophobicContact CG2-CD2 4.29Å; V83-F86 HydrophobicContact CG2-CE1 3.95Å; V83-F86 HydrophobicContact CG2-CE2 3.85Å; V83-F86 HydrophobicContact CG2-CZ 3.69Å
87V90.5Very high90.9Very high81 Ų8144.2 Ų44.249%0.49123%0.226SC..  trans-121.95.6-176-60.60000113.8I48 M49 E85I48-V87 HydrophobicContact CG2-CG2 3.53Å; M49-V87 PolarHBondContact O-N 2.89Å; M49-V87 VanDerWaalsContact O-N 3.11Å; E85-V87 HydrophobicContact CB-CG1 4.44Å; E85-V87 HydrophobicContact CB-CG2 4.35Å
88A89.9Confident91Very high5 Ų539.8 Ų39.84%0.04121%0.209CC..SBendtrans-75.6158179.400000112.4I48 M49 P50 P51 I92 Y94I48-A88 HydrophobicContact CG2-CB 4.08Å; M49-A88 WeakPolarHBondContact O-CB 3.48Å; M49-A88 PolarHBondContact O-N 2.82Å; P50-A88 WeakPolarHBondContact CA-O 3.44Å; P51-A88 VanDerWaalsContact CD-O 3.29Å; P51-A88 WeakPolarHBondContact CD-O 3.23Å; A88-I92 WeakPolarHBondContact CB-O 3.47Å; A88-Y94 HydrophobicContact CB-CD2 3.7Å; A88-Y94 HydrophobicContact CB-CE2 3.7Å
89D91Very high91Very high103 Ų10336 Ų3655%0.55119%0.191SC*.PPolyproline II helixtrans-63.7151.5171-65.4-44000111.7G91 I92D89-G91 PolarHBondContact O-N 3.26Å; D89-I92 HydrophobicContact CB-CB 4.32Å; D89-I92 HydrophobicContact CB-CD1 4.02Å; D89-I92 WeakPolarHBondContact O-CB 3.4Å; D89-I92 PolarHBondContact O-N 3.45Å
90E91.6Very high90.8Very high157 Ų15736.6 Ų36.673%0.73419%0.193SC*.THydrogen-bonded Turntrans-60.6130.7-176.7-62.8-171.5163.300112.3I92E90-I92 PolarHBondContact O-N 2.92Å
91G88.1Confident90.6Very high36 Ų3640.7 Ų40.737%0.37121%0.212SC..THydrogen-bonded Turntrans78.50.8-177.600000114.7R25 D89R25-G91 PolarHBondContact N-O 2.94Å; D89-G91 PolarHBondContact O-N 3.26Å
92I91.8Very high90.5Very high37 Ų3741.2 Ų41.219%0.1922%0.215CC..EExtended strand (participates in β ladder)trans-114.8139.8-179.9-65.6172.7000110R25 Y27 P50 A88 D89 E90 Y94R25-I92 CarbonylContact O-C 3.58Å; R25-I92 WeakPolarHBondContact O-CA 3.45Å; Y27-I92 HydrophobicContact CD2-CB 4.48Å; Y27-I92 HydrophobicContact CD2-CG1 4.34Å; Y27-I92 HydrophobicContact CD2-CG2 3.58Å; Y27-I92 HydrophobicContact CE2-CD1 4.2Å; Y27-I92 HydrophobicContact CE2-CG1 3.95Å; Y27-I92 HydrophobicContact CE2-CG2 4.08Å; Y27-I92 HydrophobicContact CG-CG2 4.49Å; P50-I92 WeakPolarHBondContact CD-O 3.41Å; A88-I92 WeakPolarHBondContact CB-O 3.47Å; D89-I92 HydrophobicContact CB-CB 4.32Å; D89-I92 HydrophobicContact CB-CD1 4.02Å; D89-I92 WeakPolarHBondContact O-CB 3.4Å; D89-I92 PolarHBondContact O-N 3.45Å; E90-I92 PolarHBondContact O-N 2.92Å; I92-Y94 HydrophobicContact CG2-CD2 4.45Å; I92-Y94 HydrophobicContact CG2-CE1 4.33Å; I92-Y94 HydrophobicContact CG2-CE2 3.93Å
93C91.9Very high90.4Very high1 Ų141.1 Ų41.11%0.00721%0.214CC..EExtended strand (participates in β ladder)trans-128.3138.7171.3-74.50000109.7Y24 R25 C26 Y27 I48Y24-C93 WeakPolarHBondContact CB-SG 3.33Å; R25-C93 PolarHBondContact O-N 3.03Å; C26-C93 WeakPolarHBondContact CA-O 3.44Å; Y27-C93 PolarHBondContact N-O 3.34Å; I48-C93 WeakPolarHBondContact O-CA 3.43Å
94Y91.9Very high90.3Very high15 Ų1544.9 Ų44.96%0.05923%0.233CC..EExtended strand (participates in β ladder)trans-101.1126.1176.9-60.9-83.7000110.3Y27 S28 M31 L32 I47 I48 A88 I92Y27-Y94 WeakPolarHBondContact O-CA 3.12Å; S28-Y94 WeakPolarHBondContact O-CD1 3.41Å; M31-Y94 HydrophobicContact CB-CE1 4.48Å; L32-Y94 HydrophobicContact CB-CD1 4.24Å; L32-Y94 HydrophobicContact CB-CE1 4.12Å; L32-Y94 HydrophobicContact CD1-CD2 3.95Å; L32-Y94 HydrophobicContact CD1-CE1 4.3Å; L32-Y94 HydrophobicContact CD1-CE2 3.47Å; L32-Y94 VanDerWaalsContact CD1-CE2 3.47Å; I47-Y94 WeakPolarHBondContact CB-O 3.3Å; I48-Y94 HydrophobicContact CB-CD2 4.35Å; I48-Y94 PolarHBondContact N-O 3.1Å; I48-Y94 VanDerWaalsContact N-O 3.08Å; I48-Y94 PolarHBondContact O-N 3.24Å; A88-Y94 HydrophobicContact CB-CD2 3.7Å; A88-Y94 HydrophobicContact CB-CE2 3.7Å; I92-Y94 HydrophobicContact CG2-CD2 4.45Å; I92-Y94 HydrophobicContact CG2-CE1 4.33Å; I92-Y94 HydrophobicContact CG2-CE2 3.93Å
95L91.6Very high90.3Very high0 Ų042.9 Ų42.90%022%0.223CC..EExtended strand (participates in β ladder)trans-114145.4-179.9-58.2179.6000110.1C26 Y27 V29 I47 L70 M99 M100 L105C26-L95 HydrophobicContact CB-CD1 3.58Å; C26-L95 HydrophobicContact CB-CG 4.11Å; C26-L95 VanDerWaalsContact SG-CD1 3.54Å; Y27-L95 PolarHBondContact O-N 3.4Å; V29-L95 PolarHBondContact N-O 3.27Å; I47-L95 HydrophobicContact CB-CD2 3.98Å; I47-L95 HydrophobicContact CD1-CD2 4.38Å; I47-L95 HydrophobicContact CG2-CD2 3.34Å; L70-L95 HydrophobicContact CD1-CD1 4.49Å; L70-L95 HydrophobicContact CD1-CD2 3.74Å; L95-M99 HydrophobicContact CD2-SD 3.88Å; L95-M100 HydrophobicContact CB-CG 3.89Å; L95-M100 HydrophobicContact CD1-CG 4.21Å; L95-L105 HydrophobicContact CD1-CD1 4.17Å
96P91.2Very high90.2Very high0 Ų047 Ų470%024%0.242CC..  trans-56.6148.3165.7-25.335.4000111.9W98 M99 M100P96-W98 VanDerWaalsContact C-N 3.33Å; P96-W98 HydrophobicContact CB-CG 4.41Å; P96-W98 PolarHBondContact O-N 3.38Å; P96-M99 WeakPolarHBondContact O-CB 3.34Å; P96-M99 PolarHBondContact O-N 3.44Å; P96-M100 PolarHBondContact O-N 3.5Å
97H88.5Confident90.1Very high81 Ų8150.6 Ų50.638%0.37526%0.259SS..Hα-helixtrans-57.5-43.9-177.4-178.7-102.2000112.8E42 M99 M100 Q101E42-H97 HydrophobicContact CG-CB 4.41Å; H97-M99 PolarHBondContact O-N 3.3Å; H97-M100 WeakPolarHBondContact O-CB 3.39Å; H97-M100 PolarHBondContact O-N 3.03Å; H97-M100 VanDerWaalsContact O-N 3.13Å; H97-Q101 PolarHBondContact CE1-NE2 2.86Å; H97-Q101 PolarHBondContact ND1-OE1 3.46Å; H97-Q101 WeakPolarHBondContact O-CG 3.48Å; H97-Q101 PolarHBondContact O-N 2.89Å
98W89.6Confident90Very high16 Ų1647.9 Ų47.96%0.06125%0.247CC..Hα-helixtrans-59.4-33.1178.172.1-98.4000112.6G44 P96 Q101 N102 F150 I159 A160G44-W98 PolarHBondContact O-NE1 2.87Å; P96-W98 VanDerWaalsContact C-N 3.33Å; P96-W98 HydrophobicContact CB-CG 4.41Å; P96-W98 PolarHBondContact O-N 3.38Å; W98-Q101 PolarHBondContact O-N 3.11Å; W98-N102 VanDerWaalsContact O-CB 3.27Å; W98-N102 WeakPolarHBondContact O-CB 3.39Å; W98-N102 PolarHBondContact O-N 3.25Å; W98-F150 AromaticContact CE2-CE1 3.91Å; W98-F150 HydrophobicContact CH2-CD1 4.48Å; W98-F150 HydrophobicContact CH2-CE1 4.05Å; W98-F150 HydrophobicContact CZ2-CD1 4.07Å; W98-F150 AromaticContact CZ2-CE1 3.47Å; W98-F150 HydrophobicContact CZ2-CE1 3.47Å; W98-F150 VanDerWaalsContact CZ2-CE1 3.47Å; W98-F150 HydrophobicContact CZ2-CZ 4.48Å; W98-I159 HydrophobicContact CH2-CG2 4.08Å; W98-I159 HydrophobicContact CZ3-CG2 3.94Å; W98-A160 HydrophobicContact CB-CB 3.57Å; W98-A160 HydrophobicContact CG-CB 4.03Å
99M91.3Very high90Very high0 Ų048.5 Ų48.50%025%0.254CS..Hα-helixtrans-73.8-37.5179.5-170.6174.7-73.100111.3I47 L70 T79 C81 L95 P96 H97 N102 L103I47-M99 HydrophobicContact CG2-CE 4.41Å; I47-M99 HydrophobicContact CG2-SD 3.9Å; L70-M99 HydrophobicContact CD1-CG 4.36Å; L70-M99 HydrophobicContact CD1-SD 3.41Å; L70-M99 WeakPolarHBondContact CD1-SD 3.27Å; T79-M99 HydrophobicContact CG2-CG 3.98Å; T79-M99 HydrophobicContact CG2-SD 4.3Å; C81-M99 HydrophobicContact CB-CE 3.53Å; C81-M99 HydrophobicContact CB-SD 4.02Å; L95-M99 HydrophobicContact CD2-SD 3.88Å; P96-M99 WeakPolarHBondContact O-CB 3.34Å; P96-M99 PolarHBondContact O-N 3.44Å; H97-M99 PolarHBondContact O-N 3.3Å; M99-N102 PolarHBondContact O-N 2.82Å; M99-L103 HydrophobicContact CG-CD1 4.29Å; M99-L103 WeakPolarHBondContact O-CB 3.48Å; M99-L103 WeakPolarHBondContact O-CG 3.18Å; M99-L103 PolarHBondContact O-N 3.42Å
100M90.3Very high90.1Very high11 Ų1147.8 Ų47.85%0.05425%0.25CS..Hα-helixtrans-63.9-43.5172-65-173.668.700111.3S28 L95 P96 H97 L103 L104 L105 E107S28-M100 VanDerWaalsContact CA-SD 3.57Å; S28-M100 PolarHBondContact N-SD 3.4Å; L95-M100 HydrophobicContact CB-CG 3.89Å; L95-M100 HydrophobicContact CD1-CG 4.21Å; P96-M100 PolarHBondContact O-N 3.5Å; H97-M100 WeakPolarHBondContact O-CB 3.39Å; H97-M100 PolarHBondContact O-N 3.03Å; H97-M100 VanDerWaalsContact O-N 3.13Å; M100-L103 PolarHBondContact O-N 3.43Å; M100-L104 WeakPolarHBondContact O-CA 3.47Å; M100-L104 PolarHBondContact O-N 2.86Å; M100-L105 PolarHBondContact O-N 3.16Å; M100-E107 HydrophobicContact CE-CG 4.17Å
101Q88.9Confident90.1Very high100 Ų10040.3 Ų40.347%0.46722%0.215SC..Hα-helixtrans-62.5-45.2174.8-69.9-177.5-50.700111.8H97 W98 L103 L104H97-Q101 PolarHBondContact CE1-NE2 2.86Å; H97-Q101 PolarHBondContact ND1-OE1 3.46Å; H97-Q101 WeakPolarHBondContact O-CG 3.48Å; H97-Q101 PolarHBondContact O-N 2.89Å; W98-Q101 PolarHBondContact O-N 3.11Å; Q101-L103 VanDerWaalsContact C-N 3.33Å; Q101-L103 PolarHBondContact O-N 2.79Å; Q101-L104 PolarHBondContact O-N 2.6Å; Q101-L104 VanDerWaalsContact O-N 3.11Å
102N89.3Confident90.4Very high11 Ų1140.5 Ų40.56%0.05921%0.206CC..Hα-helixtrans-61.9-40.5179.3-17649.3000112.1R77 W98 M99 L104 D157 V158R77-N102 WeakPolarHBondContact CD-O 3.36Å; R77-N102 PolarHBondContact NH1-O 3.21Å; W98-N102 VanDerWaalsContact O-CB 3.27Å; W98-N102 WeakPolarHBondContact O-CB 3.39Å; W98-N102 PolarHBondContact O-N 3.25Å; M99-N102 PolarHBondContact O-N 2.82Å; N102-L104 VanDerWaalsContact C-N 3.32Å; N102-D157 PolarHBondContact ND2-OD1 2.83Å; N102-V158 PolarHBondContact OD1-N 3.33Å
103L88.9Confident90.5Very high0 Ų038.8 Ų38.80%020%0.197CC..Hα-helixtrans-81.7-6.7176.7-72172.3000114L70 N72 R77 T79 M99 M100 Q101 L105L70-L103 HydrophobicContact CB-CD1 4.12Å; L70-L103 HydrophobicContact CD1-CD1 4.3Å; N72-L103 HydrophobicContact CB-CD2 4.33Å; N72-L103 PolarHBondContact ND2-O 2.76Å; R77-L103 HydrophobicContact CB-CD2 4.03Å; T79-L103 HydrophobicContact CG2-CD1 3.64Å; T79-L103 HydrophobicContact CG2-CD2 3.83Å; T79-L103 HydrophobicContact CG2-CG 3.78Å; M99-L103 HydrophobicContact CG-CD1 4.29Å; M99-L103 WeakPolarHBondContact O-CB 3.48Å; M99-L103 WeakPolarHBondContact O-CG 3.18Å; M99-L103 PolarHBondContact O-N 3.42Å; M100-L103 PolarHBondContact O-N 3.43Å; Q101-L103 VanDerWaalsContact C-N 3.33Å; Q101-L103 PolarHBondContact O-N 2.79Å; L103-L105 VanDerWaalsContact C-N 3.35Å; L103-L105 HydrophobicContact CB-CD1 3.53Å; L103-L105 HydrophobicContact CB-CG 3.73Å; L103-L105 HydrophobicContact CD1-CD1 3.56Å; L103-L105 HydrophobicContact CG-CD1 4.21Å
104L89.4Confident90.5Very high105 Ų10540.5 Ų40.555%0.5521%0.206SC..THydrogen-bonded Turntrans52.153-172.8-65.7157.7000111.2M100 Q101 N102M100-L104 WeakPolarHBondContact O-CA 3.47Å; M100-L104 PolarHBondContact O-N 2.86Å; Q101-L104 PolarHBondContact O-N 2.6Å; Q101-L104 VanDerWaalsContact O-N 3.11Å; N102-L104 VanDerWaalsContact C-N 3.32Å
105L88.2Confident90.4Very high22 Ų2240 Ų4012%0.11520%0.204CC..PPolyproline II helixtrans-102.4138.7179.1-71.7164.4000111N72 L95 M100 L103 V111N72-L105 HydrophobicContact CB-CD2 4.19Å; N72-L105 VanDerWaalsContact ND2-CD2 3.28Å; N72-L105 WeakPolarHBondContact ND2-CD2 3.46Å; L95-L105 HydrophobicContact CD1-CD1 4.17Å; M100-L105 PolarHBondContact O-N 3.16Å; L103-L105 VanDerWaalsContact C-N 3.35Å; L103-L105 HydrophobicContact CB-CD1 3.53Å; L103-L105 HydrophobicContact CB-CG 3.73Å; L103-L105 HydrophobicContact CD1-CD1 3.56Å; L103-L105 HydrophobicContact CG-CD1 4.21Å; L105-V111 HydrophobicContact CD1-CG2 3.25Å; L105-V111 HydrophobicContact CD2-CG2 3.61Å; L105-V111 HydrophobicContact CG-CG2 4.07Å
106E88.8Confident90.4Very high167 Ų16740.3 Ų40.378%0.7821%0.206SC*.PPolyproline II helixtrans-87.2161.3165.4-63.5179.3178.800110.3G108 G109E106-G108 PolarHBondContact O-N 2.98Å; E106-G109 WeakPolarHBondContact O-CA 3.06Å; E106-G109 PolarHBondContact O-N 2.79Å
107E89Confident90.3Very high115 Ų11546.2 Ų46.254%0.53724%0.238SC..THydrogen-bonded Turntrans-62.1128.8176.1-63.5177.1158.700110.9Y27 M31 M100 G109Y27-E107 HydrophobicContact CD1-CB 4.38Å; M31-E107 HydrophobicContact CE-CG 4.45Å; M31-E107 WeakPolarHBondContact CE-OE1 3.47Å; M31-E107 WeakPolarHBondContact CE-OE2 3.4Å; M100-E107 HydrophobicContact CE-CG 4.17Å; E107-G109 VanDerWaalsContact C-N 3.28Å
108G88.9Confident90.3Very high23 Ų2344 Ų4424%0.23723%0.229CC..THydrogen-bonded Turntrans81.63.6-172.200000114.3C26 E106C26-G108 PolarHBondContact O-N 3.39Å; E106-G108 PolarHBondContact O-N 2.98Å
109G90.7Very high90.4Very high19 Ų1949.2 Ų49.220%0.19626%0.255CS..EExtended strand (participates in β ladder)trans-59.4141.7174.100000112.4R25 C26 E106 E107R25-G109 WeakPolarHBondContact CA-O 3.28Å; C26-G109 PolarHBondContact N-O 2.85Å; E106-G109 WeakPolarHBondContact O-CA 3.06Å; E106-G109 PolarHBondContact O-N 2.79Å; E107-G109 VanDerWaalsContact C-N 3.28Å
110L91.8Very high90.4Very high88 Ų8853.4 Ų53.446%0.46128%0.28SS..EExtended strand (participates in β ladder)trans-86.6124.8178.8-71.1170.8000111Y24 R25Y24-L110 WeakPolarHBondContact O-CA 3.39Å; R25-L110 HydrophobicContact CG-CD2 3.71Å
111V93.1Very high90.5Very high0 Ų053 Ų530%028%0.279CS..EExtended strand (participates in β ladder)trans-120.1139.1176.1-179.60000110Q23 Y24 C26 L70 L105Q23-V111 VanDerWaalsContact CA-O 3.31Å; Q23-V111 WeakPolarHBondContact CA-O 3.48Å; Y24-V111 PolarHBondContact N-O 2.65Å; Y24-V111 PolarHBondContact O-N 3.41Å; C26-V111 HydrophobicContact CB-CG2 4.22Å; C26-V111 VanDerWaalsContact SG-CB 3.58Å; C26-V111 WeakPolarHBondContact SG-CG2 3.28Å; L70-V111 HydrophobicContact CB-CG1 3.84Å; L70-V111 HydrophobicContact CD2-CG1 3.83Å; L70-V111 HydrophobicContact CG-CG1 4.39Å; L105-V111 HydrophobicContact CD1-CG2 3.25Å; L105-V111 HydrophobicContact CD2-CG2 3.61Å; L105-V111 HydrophobicContact CG-CG2 4.07Å
112Q93.2Very high90.7Very high39 Ų3952.1 Ų52.118%0.18228%0.28CS..EExtended strand (participates in β ladder)trans-84.1120171.5-179.9164.1-2700109.4Q23 L70 T71 E114Q23-Q112 HydrophobicContact CG-CB 4.47Å; L70-Q112 CarbonylContact C-O 3.59Å; L70-Q112 WeakPolarHBondContact CA-O 3.38Å; T71-Q112 PolarHBondContact N-O 2.78Å; T71-Q112 PolarHBondContact O-N 2.92Å; Q112-E114 HydrophobicContact CG-CG 4.17Å; Q112-E114 PolarHBondContact NE2-OE1 2.83Å
113V93.3Very high90.9Very high1 Ų153.7 Ų53.71%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-107.3121.6-179.9-170.70000108.6F20 S21 T22 Y24 M49 F68 K69 L70F20-V113 HydrophobicContact CE1-CG1 4.33Å; S21-V113 WeakPolarHBondContact CA-O 3.31Å; T22-V113 PolarHBondContact N-O 2.99Å; T22-V113 PolarHBondContact O-N 2.9Å; Y24-V113 HydrophobicContact CD2-CB 4.08Å; Y24-V113 HydrophobicContact CD2-CG2 3.63Å; Y24-V113 HydrophobicContact CE2-CB 4.49Å; Y24-V113 HydrophobicContact CE2-CG2 4.48Å; Y24-V113 HydrophobicContact CG-CG2 4.47Å; M49-V113 HydrophobicContact CE-CG1 4.01Å; F68-V113 HydrophobicContact CB-CG1 3.83Å; F68-V113 HydrophobicContact CD1-CG1 3.79Å; F68-V113 HydrophobicContact CG-CG1 3.98Å; K69-V113 WeakPolarHBondContact O-CA 3.33Å; L70-V113 HydrophobicContact CD2-CB 4.24Å; L70-V113 HydrophobicContact CD2-CG1 4.09Å; L70-V113 HydrophobicContact CD2-CG2 3.58Å
114E92Very high91Very high38 Ų3853.7 Ų53.718%0.17829%0.286CS..EExtended strand (participates in β ladder)trans-121.9131.6178.6-59-175.2160.100110.7F20 F68 K69 Q112 V116F20-E114 CarbonylContact O-C 3.57Å; F20-E114 VanDerWaalsContact O-CA 3.23Å; F20-E114 WeakPolarHBondContact O-CA 3.26Å; F68-E114 CarbonylContact C-O 3.54Å; F68-E114 VanDerWaalsContact CA-O 3.26Å; F68-E114 WeakPolarHBondContact CA-O 3.24Å; K69-E114 HydrophobicContact CB-CB 4.43Å; K69-E114 PolarHBondContact N-O 3Å; K69-E114 PolarHBondContact O-N 3.44Å; Q112-E114 HydrophobicContact CG-CG 4.17Å; Q112-E114 PolarHBondContact NE2-OE1 2.83Å; E114-V116 HydrophobicContact CB-CG1 4.45Å; E114-V116 WeakPolarHBondContact O-CG1 3.49Å; E114-V116 PolarHBondContact O-N 3.39Å
115S91.3Very high91.2Very high5 Ų551.2 Ų51.24%0.03527%0.271CS..EExtended strand (participates in β ladder)trans-70.5125.1175.158.90000110.1R19 F20R19-S115 VanDerWaalsContact CG-O 3.24Å; R19-S115 WeakPolarHBondContact CG-O 3.4Å; R19-S115 WeakPolarHBondContact CG-OG 3.43Å; R19-S115 PolarHBondContact NE-O 3.26Å; R19-S115 PolarHBondContact NH2-O 2.82Å; F20-S115 WeakPolarHBondContact CB-OG 3.49Å; F20-S115 PolarHBondContact N-OG 3.01Å; F20-S115 PolarHBondContact O-N 3.33Å
116V90.3Very high91.4Very high6 Ų650.2 Ų50.24%0.03627%0.265CS..EExtended strand (participates in β ladder)trans-128.5150.7-178.4-46.70000110.7L67 K69 E114 L118L67-V116 HydrophobicContact CB-CG2 4.22Å; L67-V116 WeakPolarHBondContact CB-O 3.48Å; L67-V116 PolarHBondContact O-N 2.88Å; K69-V116 HydrophobicContact CB-CG1 3.42Å; K69-V116 VanDerWaalsContact CB-CG1 3.42Å; K69-V116 HydrophobicContact CB-CG2 4.43Å; E114-V116 HydrophobicContact CB-CG1 4.45Å; E114-V116 WeakPolarHBondContact O-CG1 3.49Å; E114-V116 PolarHBondContact O-N 3.39Å; V116-L118 HydrophobicContact CB-CD2 4.49Å; V116-L118 HydrophobicContact CG2-CD1 4.31Å; V116-L118 HydrophobicContact CG2-CD2 3.8Å; V116-L118 HydrophobicContact CG2-CG 3.83Å
117N88.7Confident91.6Very high124 Ų12443.4 Ų43.466%0.66323%0.233SC*.  trans-108.5117.7169.3-64.883.6000107.2
118L90.3Very high91.7Very high35 Ų3538.1 Ų38.118%0.18321%0.209CC..  trans-105.1146.3179.5-56.1178.6000109.5L67 H80 V116 C152 A180L67-L118 HydrophobicContact CD1-CB 3.85Å; L67-L118 HydrophobicContact CD1-CD1 4.11Å; L67-L118 HydrophobicContact CD1-CG 3.98Å; H80-L118 HydrophobicContact CB-CD1 4.05Å; V116-L118 HydrophobicContact CB-CD2 4.49Å; V116-L118 HydrophobicContact CG2-CD1 4.31Å; V116-L118 HydrophobicContact CG2-CD2 3.8Å; V116-L118 HydrophobicContact CG2-CG 3.83Å; L118-C152 HydrophobicContact CD1-CB 4.16Å; L118-A180 HydrophobicContact CD1-CB 4.08Å; L118-A180 HydrophobicContact CD2-CB 3.83Å
119M90.6Very high91.6Very high124 Ų12439.5 Ų39.561%0.61121%0.209SC*.PPolyproline II helixtrans-76156.2173.4-50.9-156.3-37.600110.3P177 S182M119-P177 HydrophobicContact CB-CG 4.14Å; M119-P177 HydrophobicContact CE-CB 3.84Å; M119-P177 HydrophobicContact CE-CG 3.19Å; M119-S182 PolarHBondContact O-N 3.36Å
120V91.8Very high91.3Very high88 Ų8840.3 Ų40.353%0.53321%0.212SC..BIsolated β-bridgetrans-64.9139.4176.5-65.40000111.1P177 S182 C186V120-P177 WeakPolarHBondContact O-CD 3.44Å; V120-S182 CarbonylContact C-O 3.57Å; V120-S182 WeakPolarHBondContact CA-O 3.49Å; V120-C186 HydrophobicContact CB-CB 4.37Å
121A92.6Very high90.9Very high3 Ų339 Ų393%0.02521%0.209CC..PPolyproline II helixtrans-69.1141.8176.400000110.8K176 V181 S182 I183 M188A121-K176 WeakPolarHBondContact CA-O 3.46Å; A121-V181 HydrophobicContact CB-CB 3.8Å; A121-V181 HydrophobicContact CB-CG1 4.45Å; A121-V181 HydrophobicContact CB-CG2 3.58Å; A121-S182 PolarHBondContact N-O 2.9Å; A121-I183 HydrophobicContact CB-CG2 3.71Å; A121-M188 HydrophobicContact CB-CB 4.29Å; A121-M188 HydrophobicContact CB-SD 3.61Å
122T92.3Very high90.4Very high81 Ų8142.6 Ų42.650%0.49723%0.228SC..SBendtrans-111.9-29.8171.549.70000111.7K176 N189T122-K176 PolarHBondContact N-O 3.18Å; T122-K176 PolarHBondContact OG1-O 3.29Å; T122-N189 PolarHBondContact O-N 3.03Å
123Y93.2Very high89.8Confident45 Ų4541.1 Ų41.118%0.17622%0.221CC..EExtended strand (participates in β ladder)trans-148139.3-178.1177.8-97.4000110.2K125 T175 K176 N189 D191Y123-K125 HydrophobicContact CE1-CB 4.07Å; Y123-T175 WeakPolarHBondContact O-CA 3.22Å; Y123-K176 HydrophobicContact CD1-CD 4.12Å; Y123-K176 HydrophobicContact CD1-CG 4.27Å; Y123-K176 HydrophobicContact CG-CD 4.46Å; Y123-K176 PolarHBondContact O-N 3.39Å; Y123-N189 WeakPolarHBondContact CA-O 3.38Å; Y123-N189 HydrophobicContact CD2-CB 4Å; Y123-D191 HydrophobicContact CE2-CB 4.09Å; Y123-D191 WeakPolarHBondContact CE2-OD2 3.39Å; Y123-D191 WeakPolarHBondContact OH-CB 3.4Å; Y123-D191 PolarHBondContact OH-OD2 3.12Å
124S92.8Very high89.1Confident0 Ų045.2 Ų45.20%024%0.242CC..EExtended strand (participates in β ladder)trans-141.9137.5171.652.40000110.9F126 E174 M188 N189 V190 D191S124-F126 WeakPolarHBondContact OG-CE2 3.29Å; S124-E174 WeakPolarHBondContact CA-O 3.42Å; S124-M188 PolarHBondContact OG-SD 3.2Å; S124-N189 PolarHBondContact N-O 2.92Å; S124-V190 WeakPolarHBondContact O-CA 3.46Å; S124-D191 PolarHBondContact O-N 3.43Å
125K92.8Very high88.6Confident53 Ų5349.6 Ų49.623%0.2327%0.267CS..EExtended strand (participates in β ladder)trans-112.4126.5175.7-166.7-176.7-167.9-161.70109.4Y123 M173 E174 D191 D193Y123-K125 HydrophobicContact CE1-CB 4.07Å; K125-M173 HydrophobicContact CB-CB 4.35Å; K125-M173 HydrophobicContact CD-CB 4.44Å; K125-M173 HydrophobicContact CG-CB 4.41Å; K125-M173 PolarHBondContact O-N 3.43Å; K125-E174 HydrophobicContact CB-CB 4.28Å; K125-E174 PolarHBondContact N-O 2.78Å; K125-E174 PolarHBondContact O-N 3.13Å; K125-D191 WeakPolarHBondContact CA-O 3.39Å; K125-D191 HydrophobicContact CG-CB 4.31Å; K125-D193 VanDerWaalsContact CE-OD2 3.31Å; K125-D193 WeakPolarHBondContact CE-OD2 3.33Å; K125-D193 VanDerWaalsContact NZ-CG 3.25Å; K125-D193 IonicContact NZ-OD1 3.92Å; K125-D193 IonicContact NZ-OD2 3.69Å; K125-D193 PolarHBondContact NZ-OD2 2.97Å
126F92.8Very high88.3Confident0 Ų050 Ų500%027%0.268CS..EExtended strand (participates in β ladder)trans-115.2141.3179.8-61-93.1000111.2S124 L143 L147 L153 I159 L170 R171 V172 V190 D191 F192 D193S124-F126 WeakPolarHBondContact OG-CE2 3.29Å; F126-L143 HydrophobicContact CD2-CD2 3.6Å; F126-L143 HydrophobicContact CE2-CD2 3.61Å; F126-L143 HydrophobicContact CG-CD2 4.05Å; F126-L143 HydrophobicContact CZ-CD2 4.1Å; F126-L147 HydrophobicContact CE2-CD1 4.38Å; F126-L147 HydrophobicContact CZ-CD1 4.05Å; F126-L147 HydrophobicContact CZ-CD2 4.21Å; F126-L153 HydrophobicContact CE1-CD1 4.17Å; F126-L153 HydrophobicContact CE1-CD2 4.31Å; F126-L153 HydrophobicContact CZ-CD1 3.62Å; F126-I159 HydrophobicContact CD1-CD1 4.29Å; F126-I159 HydrophobicContact CE1-CD1 3.82Å; F126-L170 HydrophobicContact CB-CD2 4.32Å; F126-R171 CarbonylContact C-O 3.59Å; F126-R171 WeakPolarHBondContact CA-O 3.23Å; F126-V172 HydrophobicContact CD1-CG2 4.03Å; F126-V172 HydrophobicContact CE1-CG2 3.8Å; F126-V190 HydrophobicContact CD2-CG1 3.84Å; F126-V190 HydrophobicContact CE2-CG1 3.99Å; F126-V190 HydrophobicContact CE2-CG2 4.36Å; F126-D191 PolarHBondContact N-O 3.1Å; F126-F192 HydrophobicContact CB-CD1 4.27Å; F126-F192 HydrophobicContact CB-CE1 4.4Å; F126-F192 CarbonylContact O-C 3.57Å; F126-F192 WeakPolarHBondContact O-CA 3.49Å; F126-D193 PolarHBondContact O-N 3.34Å
127Q91.6Very high88Confident24 Ų2455.7 Ų55.711%0.11230%0.304CS..EExtended strand (participates in β ladder)trans-115.6111.4172.5-179.7172.549.100109.4Q129 R171 M173 D193 A194Q127-Q129 PolarHBondContact O-NE2 3.04Å; Q127-R171 PolarHBondContact N-O 3.15Å; Q127-R171 PolarHBondContact O-N 3.28Å; Q127-M173 HydrophobicContact CB-CG 3.52Å; Q127-M173 HydrophobicContact CB-SD 3.97Å; Q127-M173 PolarHBondContact OE1-SD 3.08Å; Q127-M173 VanDerWaalsContact OE1-SD 3.37Å; Q127-D193 HydrophobicContact CB-CB 4.14Å; Q127-D193 HydrophobicContact CG-CB 4.36Å; Q127-A194 PolarHBondContact NE2-O 2.9Å; Q127-A194 VanDerWaalsContact NE2-O 3.11Å
128P91.3Very high87.9Confident4 Ų454.9 Ų54.93%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-64.6137.4173.8-10.724.1000110.5F133 L170 D193 P195 L196P128-F133 HydrophobicContact CB-CB 3.72Å; P128-F133 HydrophobicContact CB-CD1 3.81Å; P128-F133 HydrophobicContact CB-CG 3.82Å; P128-F133 HydrophobicContact CG-CB 4.29Å; P128-F133 HydrophobicContact CG-CD1 3.43Å; P128-F133 VanDerWaalsContact CG-CD1 3.43Å; P128-F133 HydrophobicContact CG-CE1 3.95Å; P128-F133 HydrophobicContact CG-CG 4Å; P128-L170 HydrophobicContact CB-CD2 3.95Å; P128-L170 HydrophobicContact CG-CD2 3.91Å; P128-D193 WeakPolarHBondContact CD-O 3.47Å; P128-P195 HydrophobicContact CB-CB 4.14Å; P128-P195 HydrophobicContact CG-CB 4.44Å; P128-P195 VanDerWaalsContact O-CA 3.22Å; P128-P195 WeakPolarHBondContact O-CA 3.39Å; P128-P195 WeakPolarHBondContact O-CB 3.48Å; P128-L196 PolarHBondContact O-N 3.29Å
129Q87.9Confident87.8Confident53 Ų5355.1 Ų55.125%0.24830%0.303CS..SBendtrans-83.1-25.2179.9-61.6-61.1-74.700112.5Q127 V158 E169 R171Q127-Q129 PolarHBondContact O-NE2 3.04Å; Q129-V158 HydrophobicContact CG-CG1 4.43Å; Q129-E169 HydrophobicContact CB-CB 4.08Å; Q129-E169 HydrophobicContact CG-CB 4.02Å; Q129-E169 PolarHBondContact N-O 3.42Å; Q129-R171 VanDerWaalsContact NE2-CB 3.29Å
130S84.6Confident87.6Confident35 Ų3554.7 Ų54.725%0.24530%0.298CS..SBendtrans-115.4142.8179.4177.40000111.5D132 F133S130-D132 PolarHBondContact O-N 3.07Å; S130-D132 WeakPolarHBondContact OG-CB 3.32Å; S130-D132 PolarHBondContact OG-N 3.05Å; S130-D132 VanDerWaalsContact OG-N 3.15Å; S130-D132 PolarHBondContact OG-OD2 3.3Å; S130-F133 PolarHBondContact O-N 3.39Å
131P81.9Confident87.4Confident62 Ų6253 Ų5340%0.40329%0.293SS..G310 helixtrans-64.4-17.9170.329.7-36.9000112.8F133 L134P131-F133 PolarHBondContact O-N 3.36Å; P131-L134 HydrophobicContact CB-CD1 4.34Å; P131-L134 VanDerWaalsContact O-CB 3.23Å; P131-L134 WeakPolarHBondContact O-CB 3.12Å; P131-L134 WeakPolarHBondContact O-CG 3.34Å; P131-L134 PolarHBondContact O-N 3.29Å
132D82.6Confident87.3Confident74 Ų7453.6 Ų53.640%0.39630%0.297SS..G310 helixtrans-57.9-23.7177.6-56.8-27.8000112.1S130 L134 D135 Y168S130-D132 PolarHBondContact O-N 3.07Å; S130-D132 WeakPolarHBondContact OG-CB 3.32Å; S130-D132 PolarHBondContact OG-N 3.05Å; S130-D132 VanDerWaalsContact OG-N 3.15Å; S130-D132 PolarHBondContact OG-OD2 3.3Å; D132-L134 PolarHBondContact O-N 2.8Å; D132-D135 WeakPolarHBondContact O-CB 3.26Å; D132-D135 PolarHBondContact O-N 2.78Å; D132-Y168 HydrophobicContact CB-CD1 4.33Å; D132-Y168 HydrophobicContact CB-CE1 3.73Å
133F80.8Confident87.1Confident8 Ų849.8 Ų49.84%0.03527%0.273CS..G310 helixtrans-66.1-23.5175.5-170-97.7000112.7P128 S130 P131 D135 I136 P139 I161 Y168 L170 F192P128-F133 HydrophobicContact CB-CB 3.72Å; P128-F133 HydrophobicContact CB-CD1 3.81Å; P128-F133 HydrophobicContact CB-CG 3.82Å; P128-F133 HydrophobicContact CG-CB 4.29Å; P128-F133 HydrophobicContact CG-CD1 3.43Å; P128-F133 VanDerWaalsContact CG-CD1 3.43Å; P128-F133 HydrophobicContact CG-CE1 3.95Å; P128-F133 HydrophobicContact CG-CG 4Å; S130-F133 PolarHBondContact O-N 3.39Å; P131-F133 PolarHBondContact O-N 3.36Å; F133-D135 VanDerWaalsContact C-N 3.29Å; F133-I136 HydrophobicContact CD2-CD1 3.53Å; F133-I136 HydrophobicContact CE2-CD1 3.76Å; F133-I136 HydrophobicContact CG-CD1 4.18Å; F133-I136 WeakPolarHBondContact O-CB 3.47Å; F133-I136 WeakPolarHBondContact O-CG1 3.35Å; F133-I136 PolarHBondContact O-N 3.37Å; F133-P139 HydrophobicContact CD1-CB 4.27Å; F133-P139 HydrophobicContact CE1-CB 3.39Å; F133-P139 HydrophobicContact CZ-CB 3.54Å; F133-I161 HydrophobicContact CE2-CD1 4.12Å; F133-Y168 HydrophobicContact CB-CD1 4.19Å; F133-Y168 HydrophobicContact CD2-CD1 4.22Å; F133-Y168 HydrophobicContact CD2-CG 4.27Å; F133-L170 HydrophobicContact CD2-CD2 4.26Å; F133-L170 HydrophobicContact CE1-CD2 4.22Å; F133-L170 HydrophobicContact CE2-CD1 4.06Å; F133-L170 HydrophobicContact CE2-CD2 3.96Å; F133-L170 HydrophobicContact CE2-CG 4.46Å; F133-L170 HydrophobicContact CZ-CD2 3.94Å; F133-F192 AromaticContact CE1-CD1 3.92Å; F133-F192 HydrophobicContact CE1-CD1 3.92Å; F133-F192 AromaticContact CE1-CE1 3.58Å; F133-F192 HydrophobicContact CE1-CE1 3.58Å; F133-F192 HydrophobicContact CE1-CZ 4.11Å; F133-F192 HydrophobicContact CZ-CD1 4.43Å; F133-F192 AromaticContact CZ-CE1 3.66Å; F133-F192 HydrophobicContact CZ-CE1 3.66Å; F133-F192 HydrophobicContact CZ-CZ 4.04Å
134L79.3Confident86.8Confident87 Ų8753.2 Ų53.246%0.45529%0.29SS..G310 helixtrans-72.1-23.2176.1-63165.3000112.5P131 D132 I136 P195 Y198P131-L134 HydrophobicContact CB-CD1 4.34Å; P131-L134 VanDerWaalsContact O-CB 3.23Å; P131-L134 WeakPolarHBondContact O-CB 3.12Å; P131-L134 WeakPolarHBondContact O-CG 3.34Å; P131-L134 PolarHBondContact O-N 3.29Å; D132-L134 PolarHBondContact O-N 2.8Å; L134-I136 PolarHBondContact O-N 3.35Å; L134-P195 HydrophobicContact CD1-CG 3.75Å; L134-P195 HydrophobicContact CD2-CG 4.16Å; L134-P195 HydrophobicContact CG-CG 3.97Å; L134-Y198 HydrophobicContact CD1-CD2 3.39Å; L134-Y198 HydrophobicContact CD1-CE2 3.5Å; L134-Y198 VanDerWaalsContact CD1-CE2 3.5Å; L134-Y198 HydrophobicContact CD1-CG 4.23Å
135D81.3Confident86.6Confident131 Ų13158.3 Ų58.370%0.70132%0.318SS*.G310 helixtrans-72.7-11.7178-66.7-25.4000112.3D132 F133 T137D132-D135 WeakPolarHBondContact O-CB 3.26Å; D132-D135 PolarHBondContact O-N 2.78Å; F133-D135 VanDerWaalsContact C-N 3.29Å; D135-T137 PolarHBondContact O-N 3.18Å
136I84.5Confident86.4Confident12 Ų1256.4 Ų56.46%0.06231%0.312CS..  trans-74.1122.5178.1-57.5176.8000109F133 L134 N138 V142 Y163 Y168F133-I136 HydrophobicContact CD2-CD1 3.53Å; F133-I136 HydrophobicContact CE2-CD1 3.76Å; F133-I136 HydrophobicContact CG-CD1 4.18Å; F133-I136 WeakPolarHBondContact O-CB 3.47Å; F133-I136 WeakPolarHBondContact O-CG1 3.35Å; F133-I136 PolarHBondContact O-N 3.37Å; L134-I136 PolarHBondContact O-N 3.35Å; I136-N138 VanDerWaalsContact C-N 3.29Å; I136-N138 PolarHBondContact O-N 3.35Å; I136-V142 HydrophobicContact CG2-CB 4.48Å; I136-V142 HydrophobicContact CG2-CG2 3.77Å; I136-Y163 HydrophobicContact CD1-CD1 4.08Å; I136-Y163 HydrophobicContact CG1-CD1 4.21Å; I136-Y163 HydrophobicContact CG1-CE1 4.33Å; I136-Y163 HydrophobicContact CG2-CD1 4.48Å; I136-Y163 HydrophobicContact CG2-CE1 4.03Å; I136-Y168 HydrophobicContact CD1-CD2 4.41Å; I136-Y168 HydrophobicContact CD1-CE1 4.27Å; I136-Y168 HydrophobicContact CD1-CE2 4.16Å
137T84.6Confident86.2Confident127 Ų12756.9 Ų56.978%0.77931%0.314SS*.SBendtrans-57.7-40.3179.4-46.40000112.8D135D135-T137 PolarHBondContact O-N 3.18Å
138N87.5Confident86Confident107 Ų10765.1 Ų65.157%0.57234%0.344SS*.  trans-132.679.6-177.3-75.8-34.9000111.5I136 K140 A141 V142I136-N138 VanDerWaalsContact C-N 3.29Å; I136-N138 PolarHBondContact O-N 3.35Å; N138-K140 VanDerWaalsContact C-N 3.3Å; N138-K140 PolarHBondContact O-N 3.3Å; N138-A141 HydrophobicContact CB-CB 4.24Å; N138-A141 PolarHBondContact O-N 2.92Å; N138-V142 WeakPolarHBondContact O-CG2 3.45Å; N138-V142 PolarHBondContact O-N 3.15Å
139P86.5Confident85.9Confident39 Ų3968.3 Ų68.325%0.25336%0.362SS..Hα-helixtrans-64.4-33.2-175.824-32.9000113F133 L143 F192F133-P139 HydrophobicContact CD1-CB 4.27Å; F133-P139 HydrophobicContact CE1-CB 3.39Å; F133-P139 HydrophobicContact CZ-CB 3.54Å; P139-L143 WeakPolarHBondContact O-CB 3.43Å; P139-L143 PolarHBondContact O-N 3.28Å; P139-F192 HydrophobicContact CB-CE2 4.27Å; P139-F192 HydrophobicContact CB-CZ 4.19Å; P139-F192 HydrophobicContact CG-CE2 4.49Å
140K87.5Confident86Confident115 Ų11566 Ų6650%0.535%0.351SS..Hα-helixtrans-60.3-51.5177-74.6-173175.1-165.70112.3N138 V142 L143 E144 F192N138-K140 VanDerWaalsContact C-N 3.3Å; N138-K140 PolarHBondContact O-N 3.3Å; K140-V142 VanDerWaalsContact C-N 3.34Å; K140-V142 PolarHBondContact O-N 3.39Å; K140-L143 PolarHBondContact O-N 2.85Å; K140-E144 WeakPolarHBondContact O-CG 3.41Å; K140-E144 PolarHBondContact O-N 2.84Å; K140-F192 HydrophobicContact CG-CE2 3.66Å
141A88.3Confident86.2Confident54 Ų5464.6 Ų64.645%0.44634%0.341SS..Hα-helixtrans-65.6-37.6-177.900000112.4N138 N145N138-A141 HydrophobicContact CB-CB 4.24Å; N138-A141 PolarHBondContact O-N 2.92Å; A141-N145 WeakPolarHBondContact O-CB 3.31Å; A141-N145 PolarHBondContact O-N 2.83Å
142V88.8Confident86.7Confident15 Ų1562 Ų629%0.09132%0.324CS..Hα-helixtrans-63.1-45.2175.2174.10000110.5I136 N138 K140 N145 A146 I161 Y163I136-V142 HydrophobicContact CG2-CB 4.48Å; I136-V142 HydrophobicContact CG2-CG2 3.77Å; N138-V142 WeakPolarHBondContact O-CG2 3.45Å; N138-V142 PolarHBondContact O-N 3.15Å; K140-V142 VanDerWaalsContact C-N 3.34Å; K140-V142 PolarHBondContact O-N 3.39Å; V142-N145 PolarHBondContact O-N 2.78Å; V142-A146 WeakPolarHBondContact O-CB 3.3Å; V142-A146 PolarHBondContact O-N 2.95Å; V142-I161 HydrophobicContact CG1-CD1 4.12Å; V142-Y163 HydrophobicContact CB-CD2 4.29Å; V142-Y163 HydrophobicContact CB-CE2 4.49Å; V142-Y163 HydrophobicContact CG1-CD1 4.25Å; V142-Y163 HydrophobicContact CG1-CD2 3.6Å; V142-Y163 HydrophobicContact CG1-CE2 4.27Å; V142-Y163 HydrophobicContact CG1-CG 3.59Å; V142-Y163 HydrophobicContact CG2-CD1 4.22Å; V142-Y163 HydrophobicContact CG2-CD2 3.67Å; V142-Y163 HydrophobicContact CG2-CE1 4.01Å; V142-Y163 HydrophobicContact CG2-CE2 3.44Å; V142-Y163 VanDerWaalsContact CG2-CE2 3.44Å; V142-Y163 HydrophobicContact CG2-CG 4.06Å
143L88.6Confident87.2Confident0 Ų058.6 Ų58.60%031%0.306CS..Hα-helixtrans-66.4-44.8178.4-166.672.7000111.6F126 P139 K140 N145 A146 L147 I161 L170 V190 F192F126-L143 HydrophobicContact CD2-CD2 3.6Å; F126-L143 HydrophobicContact CE2-CD2 3.61Å; F126-L143 HydrophobicContact CG-CD2 4.05Å; F126-L143 HydrophobicContact CZ-CD2 4.1Å; P139-L143 WeakPolarHBondContact O-CB 3.43Å; P139-L143 PolarHBondContact O-N 3.28Å; K140-L143 PolarHBondContact O-N 2.85Å; L143-N145 VanDerWaalsContact C-N 3.29Å; L143-N145 PolarHBondContact O-N 2.95Å; L143-A146 PolarHBondContact O-N 3.04Å; L143-A146 VanDerWaalsContact O-N 3.15Å; L143-L147 HydrophobicContact CD1-CG 4.39Å; L143-L147 HydrophobicContact CD2-CD1 4Å; L143-L147 HydrophobicContact CG-CD1 3.76Å; L143-L147 HydrophobicContact CG-CG 4.01Å; L143-L147 WeakPolarHBondContact O-CB 3.43Å; L143-L147 WeakPolarHBondContact O-CG 3.42Å; L143-L147 PolarHBondContact O-N 2.92Å; L143-I161 HydrophobicContact CD1-CD1 4.19Å; L143-L170 HydrophobicContact CD1-CD1 3.83Å; L143-V190 HydrophobicContact CD2-CG1 3.5Å; L143-V190 VanDerWaalsContact CD2-CG1 3.5Å; L143-F192 HydrophobicContact CB-CZ 4.28Å; L143-F192 HydrophobicContact CD2-CE1 3.92Å; L143-F192 HydrophobicContact CD2-CZ 3.87Å
144E87.5Confident87.8Confident117 Ų11758.3 Ų58.355%0.54731%0.305SS..Hα-helixtrans-56.7-43.6175.9-77.1174.2-165.700111.9K140 R148K140-E144 WeakPolarHBondContact O-CG 3.41Å; K140-E144 PolarHBondContact O-N 2.84Å; E144-R148 WeakPolarHBondContact O-CG 3.43Å; E144-R148 PolarHBondContact O-N 3.14Å
145N88.5Confident88.4Confident107 Ų10756.5 Ų56.557%0.57230%0.298SS*.Hα-helixtrans-66.9-40.8177-172.147.8000112A141 V142 L143A141-N145 WeakPolarHBondContact O-CB 3.31Å; A141-N145 PolarHBondContact O-N 2.83Å; V142-N145 PolarHBondContact O-N 2.78Å; L143-N145 VanDerWaalsContact C-N 3.29Å; L143-N145 PolarHBondContact O-N 2.95Å
146A88.4Confident88.9Confident13 Ų1351.8 Ų51.811%0.10728%0.28CS..Hα-helixtrans-64.9-46.3176.900000111.5V142 L143 R148 N149 F150 I161V142-A146 WeakPolarHBondContact O-CB 3.3Å; V142-A146 PolarHBondContact O-N 2.95Å; L143-A146 PolarHBondContact O-N 3.04Å; L143-A146 VanDerWaalsContact O-N 3.15Å; A146-R148 PolarHBondContact O-N 2.87Å; A146-R148 VanDerWaalsContact O-N 3.14Å; A146-N149 WeakPolarHBondContact O-CB 3.35Å; A146-N149 PolarHBondContact O-N 2.99Å; A146-F150 VanDerWaalsContact O-CD2 3.26Å; A146-F150 WeakPolarHBondContact O-CD2 3.27Å; A146-I161 HydrophobicContact CB-CB 3.94Å; A146-I161 HydrophobicContact CB-CD1 4.47Å; A146-I161 HydrophobicContact CB-CG2 3.67Å
147L88.8Confident89.2Confident10 Ų1051.7 Ų51.75%0.05228%0.279CS..Hα-helixtrans-61.3-22.6-177.6-73175.3000113.2F126 L143 N149 F150 L153 I159 I183 M188F126-L147 HydrophobicContact CE2-CD1 4.38Å; F126-L147 HydrophobicContact CZ-CD1 4.05Å; F126-L147 HydrophobicContact CZ-CD2 4.21Å; L143-L147 HydrophobicContact CD1-CG 4.39Å; L143-L147 HydrophobicContact CD2-CD1 4Å; L143-L147 HydrophobicContact CG-CD1 3.76Å; L143-L147 HydrophobicContact CG-CG 4.01Å; L143-L147 WeakPolarHBondContact O-CB 3.43Å; L143-L147 WeakPolarHBondContact O-CG 3.42Å; L143-L147 PolarHBondContact O-N 2.92Å; L147-N149 PolarHBondContact O-N 2.96Å; L147-F150 PolarHBondContact O-N 2.94Å; L147-F150 VanDerWaalsContact O-O 3.04Å; L147-L153 HydrophobicContact CD2-CD1 4.21Å; L147-L153 HydrophobicContact CD2-CD2 3.96Å; L147-I159 HydrophobicContact CD2-CD1 4.26Å; L147-I183 HydrophobicContact CB-CD1 4.13Å; L147-I183 HydrophobicContact CD2-CD1 3.8Å; L147-I183 HydrophobicContact CG-CD1 4.48Å; L147-M188 HydrophobicContact CD1-CE 3.76Å
148R87.2Confident89.5Confident197 Ų19747.6 Ų47.674%0.74325%0.254SS*.THydrogen-bonded Turntrans-57.8-27.8170.3-70.5176.8178.3-153.3-2.6113.5E144 A146 F150E144-R148 WeakPolarHBondContact O-CG 3.43Å; E144-R148 PolarHBondContact O-N 3.14Å; A146-R148 PolarHBondContact O-N 2.87Å; A146-R148 VanDerWaalsContact O-N 3.14Å; R148-F150 VanDerWaalsContact C-N 3.34Å
149N87.9Confident89.7Confident72 Ų7242.7 Ų42.739%0.38523%0.228SC..THydrogen-bonded Turntrans-85.8-9.5177.8-62.2-29.8000112.8G45 A146 L147G45-N149 PolarHBondContact N-O 2.84Å; A146-N149 WeakPolarHBondContact O-CB 3.35Å; A146-N149 PolarHBondContact O-N 2.99Å; L147-N149 PolarHBondContact O-N 2.96Å
150F90.1Very high89.9Confident4 Ų441.5 Ų41.52%0.01822%0.221CC..  trans-99.5137.7177.9-68.3-101.1000109.6W98 A146 L147 R148 I159 I161 I183W98-F150 AromaticContact CE2-CE1 3.91Å; W98-F150 HydrophobicContact CH2-CD1 4.48Å; W98-F150 HydrophobicContact CH2-CE1 4.05Å; W98-F150 HydrophobicContact CZ2-CD1 4.07Å; W98-F150 AromaticContact CZ2-CE1 3.47Å; W98-F150 HydrophobicContact CZ2-CE1 3.47Å; W98-F150 VanDerWaalsContact CZ2-CE1 3.47Å; W98-F150 HydrophobicContact CZ2-CZ 4.48Å; A146-F150 VanDerWaalsContact O-CD2 3.26Å; A146-F150 WeakPolarHBondContact O-CD2 3.27Å; L147-F150 PolarHBondContact O-N 2.94Å; L147-F150 VanDerWaalsContact O-O 3.04Å; R148-F150 VanDerWaalsContact C-N 3.34Å; F150-I159 HydrophobicContact CD1-CG2 4.46Å; F150-I159 HydrophobicContact CE1-CB 4.03Å; F150-I159 HydrophobicContact CE1-CG2 4.02Å; F150-I159 HydrophobicContact CZ-CB 4.33Å; F150-I161 HydrophobicContact CE2-CG2 4.34Å; F150-I183 HydrophobicContact CB-CD1 3.63Å; F150-I183 WeakPolarHBondContact O-CG1 3.4Å
151A90.6Very high89.9Confident5 Ų536.1 Ų36.14%0.04120%0.198CC..SBendtrans-94.3-30.2176.900000112.1L67 I183 I184L67-A151 HydrophobicContact CD2-CB 4.09Å; A151-I183 PolarHBondContact O-N 3.27Å; A151-I184 HydrophobicContact CB-CD1 4.09Å; A151-I184 HydrophobicContact CB-CG1 4.13Å
152C91.6Very high89.8Confident7 Ų736.4 Ų36.45%0.04719%0.192CC..EExtended strand (participates in β ladder)trans-139.1156.1-174.6-54.70000110.9L67 H80 L118 V181L67-C152 WeakPolarHBondContact CD2-SG 3.46Å; H80-C152 HydrophobicContact CB-CB 3.74Å; L118-C152 HydrophobicContact CD1-CB 4.16Å; C152-V181 CarbonylContact C-O 3.51Å; C152-V181 VanDerWaalsContact CA-O 3.27Å; C152-V181 WeakPolarHBondContact CA-O 3.33Å
153L92.4Very high89.7Confident3 Ų340.4 Ų40.42%0.01621%0.206CC..EExtended strand (participates in β ladder)trans-127.4138.6166.6-65.5174.9000109.4F126 L147 I159 V172 T175 A180 V181 I183 M188F126-L153 HydrophobicContact CE1-CD1 4.17Å; F126-L153 HydrophobicContact CE1-CD2 4.31Å; F126-L153 HydrophobicContact CZ-CD1 3.62Å; L147-L153 HydrophobicContact CD2-CD1 4.21Å; L147-L153 HydrophobicContact CD2-CD2 3.96Å; L153-I159 HydrophobicContact CD2-CD1 4.32Å; L153-V172 HydrophobicContact CD2-CG2 4.32Å; L153-T175 HydrophobicContact CB-CG2 4.24Å; L153-A180 WeakPolarHBondContact O-CA 3.43Å; L153-V181 HydrophobicContact CB-CG2 4.08Å; L153-V181 PolarHBondContact N-O 2.66Å; L153-V181 PolarHBondContact O-N 3.31Å; L153-I183 HydrophobicContact CD1-CD1 4.1Å; L153-I183 HydrophobicContact CD1-CG2 3.78Å; L153-I183 HydrophobicContact CD2-CD1 4.24Å; L153-I183 HydrophobicContact CG-CD1 3.81Å; L153-I183 HydrophobicContact CG-CG1 4.36Å; L153-I183 HydrophobicContact CG-CG2 4Å; L153-M188 HydrophobicContact CD1-CE 4.28Å
154T92.9Very high89.5Confident3 Ų346.5 Ų46.52%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-116.3137.6169.7-32.50000109.5H80 G156 D157 V172 K179 A180H80-T154 PolarHBondContact N-OG1 2.68Å; H80-T154 VanDerWaalsContact N-OG1 3.16Å; H80-T154 WeakPolarHBondContact ND1-CG2 3.44Å; H80-T154 PolarHBondContact ND1-OG1 3.42Å; T154-G156 PolarHBondContact O-N 3.25Å; T154-D157 WeakPolarHBondContact CB-OD2 3.31Å; T154-D157 WeakPolarHBondContact O-CB 3.26Å; T154-D157 PolarHBondContact O-N 3.11Å; T154-D157 PolarHBondContact OG1-OD2 3.46Å; T154-V172 WeakPolarHBondContact O-CB 3.47Å; T154-K179 CarbonylContact C-O 3.49Å; T154-K179 VanDerWaalsContact CA-O 3.31Å; T154-K179 WeakPolarHBondContact CA-O 3.46Å; T154-A180 HydrophobicContact CG2-CB 4.39Å
155T93.5Very high89.3Confident49 Ų4949.9 Ų49.930%0.30125%0.254SS..THydrogen-bonded Turntrans-59.2127.5170.1-62.60000110.1M173 T175 K179T155-M173 VanDerWaalsContact CG2-O 3.26Å; T155-M173 WeakPolarHBondContact CG2-O 3.4Å; T155-T175 PolarHBondContact OG1-N 3.24Å; T155-T175 PolarHBondContact OG1-OG1 3.02Å; T155-K179 PolarHBondContact N-O 2.82Å; T155-K179 PolarHBondContact OG1-O 2.64Å
156G90.8Very high89.2Confident31 Ų3150.4 Ų50.432%0.3225%0.252SS..THydrogen-bonded Turntrans96.1-13.8179.600000114.8T154 V172T154-G156 PolarHBondContact O-N 3.25Å; G156-V172 WeakPolarHBondContact CA-O 3.43Å; G156-V172 PolarHBondContact N-O 3.35Å
157D91.4Very high89.2Confident11 Ų1155.1 Ų55.16%0.05927%0.274CS..  trans-70.1143.2178.5-77-13.5000111.2T79 N102 T154 R171 V172T79-D157 WeakPolarHBondContact CB-OD2 3.42Å; T79-D157 PolarHBondContact OG1-OD2 3.37Å; N102-D157 PolarHBondContact ND2-OD1 2.83Å; T154-D157 WeakPolarHBondContact CB-OD2 3.31Å; T154-D157 WeakPolarHBondContact O-CB 3.26Å; T154-D157 PolarHBondContact O-N 3.11Å; T154-D157 PolarHBondContact OG1-OD2 3.46Å; D157-R171 CarbonylContact O-C 3.48Å; D157-R171 WeakPolarHBondContact O-CA 3.47Å; D157-V172 PolarHBondContact O-N 2.94Å
158V91.4Very high89.2Confident41 Ų4155.5 Ų55.525%0.24828%0.275CS..EExtended strand (participates in β ladder)trans-99.1108.8168.6-175.50000107.9N102 Q129 E169 L170 R171N102-V158 PolarHBondContact OD1-N 3.33Å; Q129-V158 HydrophobicContact CG-CG1 4.43Å; V158-E169 HydrophobicContact CG1-CB 3.98Å; V158-E169 HydrophobicContact CG1-CG 4.49Å; V158-L170 CarbonylContact C-O 3.59Å; V158-L170 WeakPolarHBondContact CA-O 3.38Å; V158-R171 HydrophobicContact CG2-CB 4.2Å; V158-R171 HydrophobicContact CG2-CG 4.12Å
159I91.1Very high89.4Confident3 Ų350.6 Ų50.62%0.01526%0.26CS..EExtended strand (participates in β ladder)trans-93.3142.6176.161.5169.3000109.7W98 F126 L147 F150 L153 E169 L170W98-I159 HydrophobicContact CH2-CG2 4.08Å; W98-I159 HydrophobicContact CZ3-CG2 3.94Å; F126-I159 HydrophobicContact CD1-CD1 4.29Å; F126-I159 HydrophobicContact CE1-CD1 3.82Å; L147-I159 HydrophobicContact CD2-CD1 4.26Å; F150-I159 HydrophobicContact CD1-CG2 4.46Å; F150-I159 HydrophobicContact CE1-CB 4.03Å; F150-I159 HydrophobicContact CE1-CG2 4.02Å; F150-I159 HydrophobicContact CZ-CB 4.33Å; L153-I159 HydrophobicContact CD2-CD1 4.32Å; I159-E169 WeakPolarHBondContact O-CA 3.35Å; I159-L170 HydrophobicContact CG1-CB 4.04Å; I159-L170 VanDerWaalsContact CG1-O 3.3Å; I159-L170 WeakPolarHBondContact CG1-O 3.16Å; I159-L170 PolarHBondContact N-O 2.86Å; I159-L170 PolarHBondContact O-N 3.41Å
160A89.6Confident89.5Confident14 Ų1447.2 Ų47.212%0.11624%0.242CC..EExtended strand (participates in β ladder)trans-105.5126.7174.800000109.5W98 I167 Y168W98-A160 HydrophobicContact CB-CB 3.57Å; W98-A160 HydrophobicContact CG-CB 4.03Å; A160-I167 HydrophobicContact CB-CG2 3.81Å; A160-Y168 WeakPolarHBondContact CA-O 3.22Å
161I88.6Confident89.6Confident2 Ų252 Ų521%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-115.7139.6174.169.3171.5000109.5F133 V142 L143 A146 F150 I167 Y168 L170F133-I161 HydrophobicContact CE2-CD1 4.12Å; V142-I161 HydrophobicContact CG1-CD1 4.12Å; L143-I161 HydrophobicContact CD1-CD1 4.19Å; A146-I161 HydrophobicContact CB-CB 3.94Å; A146-I161 HydrophobicContact CB-CD1 4.47Å; A146-I161 HydrophobicContact CB-CG2 3.67Å; F150-I161 HydrophobicContact CE2-CG2 4.34Å; I161-I167 CarbonylContact O-C 3.57Å; I161-I167 WeakPolarHBondContact O-CA 3.48Å; I161-Y168 PolarHBondContact N-O 3.34Å; I161-Y168 PolarHBondContact O-N 2.87Å; I161-L170 HydrophobicContact CD1-CD1 3.36Å; I161-L170 HydrophobicContact CG1-CD1 3.62Å; I161-L170 HydrophobicContact CG2-CD1 4.16Å
162N86.2Confident89.7Confident60 Ų6051.7 Ų51.732%0.32126%0.258SS..EExtended strand (participates in β ladder)trans-100.9120.5174.9-172-21.9000109.7K43 K166K43-N162 HydrophobicContact CD-CB 3.89Å; K43-N162 VanDerWaalsContact CE-ND2 3.32Å; K43-N162 WeakPolarHBondContact CE-ND2 3.45Å; K43-N162 HydrophobicContact CG-CB 3.73Å; N162-K166 WeakPolarHBondContact CA-O 3.37Å; N162-K166 PolarHBondContact OD1-O 2.86Å
163Y85.9Confident89.8Confident99 Ų9954.4 Ų54.439%0.38827%0.271SS..EExtended strand (participates in β ladder)trans-136.5130.6174.7-179.8-107.4000110.3I136 V142 E165 K166 Y168I136-Y163 HydrophobicContact CD1-CD1 4.08Å; I136-Y163 HydrophobicContact CG1-CD1 4.21Å; I136-Y163 HydrophobicContact CG1-CE1 4.33Å; I136-Y163 HydrophobicContact CG2-CD1 4.48Å; I136-Y163 HydrophobicContact CG2-CE1 4.03Å; V142-Y163 HydrophobicContact CB-CD2 4.29Å; V142-Y163 HydrophobicContact CB-CE2 4.49Å; V142-Y163 HydrophobicContact CG1-CD1 4.25Å; V142-Y163 HydrophobicContact CG1-CD2 3.6Å; V142-Y163 HydrophobicContact CG1-CE2 4.27Å; V142-Y163 HydrophobicContact CG1-CG 3.59Å; V142-Y163 HydrophobicContact CG2-CD1 4.22Å; V142-Y163 HydrophobicContact CG2-CD2 3.67Å; V142-Y163 HydrophobicContact CG2-CE1 4.01Å; V142-Y163 HydrophobicContact CG2-CE2 3.44Å; V142-Y163 VanDerWaalsContact CG2-CE2 3.44Å; V142-Y163 HydrophobicContact CG2-CG 4.06Å; Y163-E165 VanDerWaalsContact C-N 3.28Å; Y163-E165 PolarHBondContact O-N 2.72Å; Y163-K166 PolarHBondContact N-O 3.23Å; Y163-K166 PolarHBondContact O-N 2.82Å; Y163-K166 VanDerWaalsContact O-O 3.13Å; Y163-Y168 HydrophobicContact CD1-CE2 4.28Å; Y163-Y168 WeakPolarHBondContact O-CE2 3.5Å
164N86.1Confident89.8Confident129 Ų12959.2 Ų59.269%0.6929%0.293SS*.THydrogen-bonded Turntrans51.746.2-179.6-162.829.7000113.1K166N164-K166 PolarHBondContact O-N 2.92Å; N164-K166 VanDerWaalsContact O-N 3.08Å
165E83.3Confident89.8Confident187 Ų18759.7 Ų59.787%0.87430%0.296SS*.THydrogen-bonded Turntrans62.312.3-179-54.4-179.3162.800115Y163Y163-E165 VanDerWaalsContact C-N 3.28Å; Y163-E165 PolarHBondContact O-N 2.72Å
166K86.1Confident89.8Confident118 Ų11862.6 Ų62.651%0.51330%0.304SS..EExtended strand (participates in β ladder)trans-115.4138.2174.9-67.9-175.3177.9-175.30110.7N162 Y163 N164 Y168N162-K166 WeakPolarHBondContact CA-O 3.37Å; N162-K166 PolarHBondContact OD1-O 2.86Å; Y163-K166 PolarHBondContact N-O 3.23Å; Y163-K166 PolarHBondContact O-N 2.82Å; Y163-K166 VanDerWaalsContact O-O 3.13Å; N164-K166 PolarHBondContact O-N 2.92Å; N164-K166 VanDerWaalsContact O-N 3.08Å; K166-Y168 HydrophobicContact CB-CD2 4.5Å; K166-Y168 HydrophobicContact CB-CE2 3.78Å; K166-Y168 WeakPolarHBondContact O-CD2 3.43Å
167I87.8Confident89.8Confident113 Ų11364.3 Ų64.358%0.57931%0.31SS*.EExtended strand (participates in β ladder)trans-89.8120.3175.1-56.5173000107.8A160 I161A160-I167 HydrophobicContact CB-CG2 3.81Å; I161-I167 CarbonylContact O-C 3.57Å; I161-I167 WeakPolarHBondContact O-CA 3.48Å
168Y88.8Confident89.8Confident18 Ų1868.6 Ų68.67%0.07133%0.333CS..EExtended strand (participates in β ladder)trans-106.6128.2174.1-61.5-88.4000109.3D132 F133 I136 A160 I161 Y163 K166D132-Y168 HydrophobicContact CB-CD1 4.33Å; D132-Y168 HydrophobicContact CB-CE1 3.73Å; F133-Y168 HydrophobicContact CB-CD1 4.19Å; F133-Y168 HydrophobicContact CD2-CD1 4.22Å; F133-Y168 HydrophobicContact CD2-CG 4.27Å; I136-Y168 HydrophobicContact CD1-CD2 4.41Å; I136-Y168 HydrophobicContact CD1-CE1 4.27Å; I136-Y168 HydrophobicContact CD1-CE2 4.16Å; A160-Y168 WeakPolarHBondContact CA-O 3.22Å; I161-Y168 PolarHBondContact N-O 3.34Å; I161-Y168 PolarHBondContact O-N 2.87Å; Y163-Y168 HydrophobicContact CD1-CE2 4.28Å; Y163-Y168 WeakPolarHBondContact O-CE2 3.5Å; K166-Y168 HydrophobicContact CB-CD2 4.5Å; K166-Y168 HydrophobicContact CB-CE2 3.78Å; K166-Y168 WeakPolarHBondContact O-CD2 3.43Å
169E90.5Very high89.8Confident94 Ų9473.4 Ų73.444%0.43935%0.35SS..EExtended strand (participates in β ladder)trans-94126.8175.9-66.1177.7175.900110.2Q129 V158 I159Q129-E169 HydrophobicContact CB-CB 4.08Å; Q129-E169 HydrophobicContact CG-CB 4.02Å; Q129-E169 PolarHBondContact N-O 3.42Å; V158-E169 HydrophobicContact CG1-CB 3.98Å; V158-E169 HydrophobicContact CG1-CG 4.49Å; I159-E169 WeakPolarHBondContact O-CA 3.35Å
170L90.8Very high89.8Confident0 Ų073.7 Ų73.70%035%0.354CS..EExtended strand (participates in β ladder)trans-125126.4178.3-68.7132.6000108.9F126 P128 F133 L143 V158 I159 I161 F192F126-L170 HydrophobicContact CB-CD2 4.32Å; P128-L170 HydrophobicContact CB-CD2 3.95Å; P128-L170 HydrophobicContact CG-CD2 3.91Å; F133-L170 HydrophobicContact CD2-CD2 4.26Å; F133-L170 HydrophobicContact CE1-CD2 4.22Å; F133-L170 HydrophobicContact CE2-CD1 4.06Å; F133-L170 HydrophobicContact CE2-CD2 3.96Å; F133-L170 HydrophobicContact CE2-CG 4.46Å; F133-L170 HydrophobicContact CZ-CD2 3.94Å; L143-L170 HydrophobicContact CD1-CD1 3.83Å; V158-L170 CarbonylContact C-O 3.59Å; V158-L170 WeakPolarHBondContact CA-O 3.38Å; I159-L170 HydrophobicContact CG1-CB 4.04Å; I159-L170 VanDerWaalsContact CG1-O 3.3Å; I159-L170 WeakPolarHBondContact CG1-O 3.16Å; I159-L170 PolarHBondContact N-O 2.86Å; I159-L170 PolarHBondContact O-N 3.41Å; I161-L170 HydrophobicContact CD1-CD1 3.36Å; I161-L170 HydrophobicContact CG1-CD1 3.62Å; I161-L170 HydrophobicContact CG2-CD1 4.16Å; L170-F192 HydrophobicContact CD2-CE1 4.41Å
171R92.3Very high90Very high104 Ų10473 Ų7339%0.39235%0.348SS..EExtended strand (participates in β ladder)trans-90.6131.2173.8-173176.4-175.3-172.9-2.3110.1F126 Q127 Q129 D157 V158 M173F126-R171 CarbonylContact C-O 3.59Å; F126-R171 WeakPolarHBondContact CA-O 3.23Å; Q127-R171 PolarHBondContact N-O 3.15Å; Q127-R171 PolarHBondContact O-N 3.28Å; Q129-R171 VanDerWaalsContact NE2-CB 3.29Å; D157-R171 CarbonylContact O-C 3.48Å; D157-R171 WeakPolarHBondContact O-CA 3.47Å; V158-R171 HydrophobicContact CG2-CB 4.2Å; V158-R171 HydrophobicContact CG2-CG 4.12Å; R171-M173 PolarHBondContact O-N 3.01Å
172V93.4Very high90.2Very high0 Ų073.1 Ų73.10%035%0.349CS..EExtended strand (participates in β ladder)trans-77.2114.7171.9-173.30000108.1F126 L153 T154 G156 D157 T175F126-V172 HydrophobicContact CD1-CG2 4.03Å; F126-V172 HydrophobicContact CE1-CG2 3.8Å; L153-V172 HydrophobicContact CD2-CG2 4.32Å; T154-V172 WeakPolarHBondContact O-CB 3.47Å; G156-V172 WeakPolarHBondContact CA-O 3.43Å; G156-V172 PolarHBondContact N-O 3.35Å; D157-V172 PolarHBondContact O-N 2.94Å; V172-T175 HydrophobicContact CG1-CG2 3.52Å
173M92.7Very high90.4Very high64 Ų6470.8 Ų70.832%0.31534%0.336SS..EExtended strand (participates in β ladder)trans-85.8-45.6-179.3-70.3-60.9-71.300111.8K125 Q127 T155 R171K125-M173 HydrophobicContact CB-CB 4.35Å; K125-M173 HydrophobicContact CD-CB 4.44Å; K125-M173 HydrophobicContact CG-CB 4.41Å; K125-M173 PolarHBondContact O-N 3.43Å; Q127-M173 HydrophobicContact CB-CG 3.52Å; Q127-M173 HydrophobicContact CB-SD 3.97Å; Q127-M173 PolarHBondContact OE1-SD 3.08Å; Q127-M173 VanDerWaalsContact OE1-SD 3.37Å; T155-M173 VanDerWaalsContact CG2-O 3.26Å; T155-M173 WeakPolarHBondContact CG2-O 3.4Å; R171-M173 PolarHBondContact O-N 3.01Å
174E93.1Very high90.5Very high104 Ų10467.9 Ų67.949%0.48633%0.327SS..EExtended strand (participates in β ladder)trans-148.8143.9-178.7-65.7-172.7172.700110.8S124 K125S124-E174 WeakPolarHBondContact CA-O 3.42Å; K125-E174 HydrophobicContact CB-CB 4.28Å; K125-E174 PolarHBondContact N-O 2.78Å; K125-E174 PolarHBondContact O-N 3.13Å
175T93.2Very high90.3Very high13 Ų1371 Ų718%0.0834%0.337CS..EExtended strand (participates in β ladder)trans-130.6146.4170.854.90000110.2Y123 L153 T155 V172 D178 K179 V181Y123-T175 WeakPolarHBondContact O-CA 3.22Å; L153-T175 HydrophobicContact CB-CG2 4.24Å; T155-T175 PolarHBondContact OG1-N 3.24Å; T155-T175 PolarHBondContact OG1-OG1 3.02Å; V172-T175 HydrophobicContact CG1-CG2 3.52Å; T175-D178 CarbonylContact C-O 3.58Å; T175-D178 PolarHBondContact OG1-O 3.11Å; T175-K179 PolarHBondContact OG1-O 2.81Å; T175-V181 HydrophobicContact CG2-CG2 3.98Å
176K92.3Very high90.2Very high109 Ų10963.5 Ų63.547%0.47431%0.305SS..EExtended strand (participates in β ladder)trans-126.7142.8172-62.5-179.3-179170.70109.7A121 T122 Y123A121-K176 WeakPolarHBondContact CA-O 3.46Å; T122-K176 PolarHBondContact N-O 3.18Å; T122-K176 PolarHBondContact OG1-O 3.29Å; Y123-K176 HydrophobicContact CD1-CD 4.12Å; Y123-K176 HydrophobicContact CD1-CG 4.27Å; Y123-K176 HydrophobicContact CG-CD 4.46Å; Y123-K176 PolarHBondContact O-N 3.39Å
177P91.2Very high90.2Very high67 Ų6766 Ų6644%0.43532%0.324SS..SBendcis-86.9-16.71329.9-33.8000116.5M119 V120M119-P177 HydrophobicContact CB-CG 4.14Å; M119-P177 HydrophobicContact CE-CB 3.84Å; M119-P177 HydrophobicContact CE-CG 3.19Å; V120-P177 WeakPolarHBondContact O-CD 3.44Å
178D91.9Very high90.2Very high101 Ų10162.2 Ų62.254%0.5430%0.304SS..SBendtrans-126.4173.3-179.3-157.7-11.1000110.3T175 A180 V181T175-D178 CarbonylContact C-O 3.58Å; T175-D178 PolarHBondContact OG1-O 3.11Å; D178-A180 PolarHBondContact O-N 2.84Å; D178-V181 WeakPolarHBondContact O-CG1 3.36Å
179K91.1Very high90.3Very high142 Ų14266.9 Ų66.962%0.61733%0.331SS*.SBendtrans-62.9-25.6175.1-64-178.2180-178.20112.7T154 T155 T175T154-K179 CarbonylContact C-O 3.49Å; T154-K179 VanDerWaalsContact CA-O 3.31Å; T154-K179 WeakPolarHBondContact CA-O 3.46Å; T155-K179 PolarHBondContact N-O 2.82Å; T155-K179 PolarHBondContact OG1-O 2.64Å; T175-K179 PolarHBondContact OG1-O 2.81Å
180A91.9Very high90.3Very high10 Ų1063.1 Ų63.18%0.08331%0.314CS..EExtended strand (participates in β ladder)trans-125.4123.2177.400000109H80 L118 L153 T154 D178H80-A180 WeakPolarHBondContact CE1-CB 3.27Å; H80-A180 WeakPolarHBondContact ND1-CB 3.45Å; L118-A180 HydrophobicContact CD1-CB 4.08Å; L118-A180 HydrophobicContact CD2-CB 3.83Å; L153-A180 WeakPolarHBondContact O-CA 3.43Å; T154-A180 HydrophobicContact CG2-CB 4.39Å; D178-A180 PolarHBondContact O-N 2.84Å
181V92.8Very high90.3Very high0 Ų066.4 Ų66.40%033%0.332CS..EExtended strand (participates in β ladder)trans-133.2148.4-174.1-66.60000111A121 C152 L153 T175 D178 I183A121-V181 HydrophobicContact CB-CB 3.8Å; A121-V181 HydrophobicContact CB-CG1 4.45Å; A121-V181 HydrophobicContact CB-CG2 3.58Å; C152-V181 CarbonylContact C-O 3.51Å; C152-V181 VanDerWaalsContact CA-O 3.27Å; C152-V181 WeakPolarHBondContact CA-O 3.33Å; L153-V181 HydrophobicContact CB-CG2 4.08Å; L153-V181 PolarHBondContact N-O 2.66Å; L153-V181 PolarHBondContact O-N 3.31Å; T175-V181 HydrophobicContact CG2-CG2 3.98Å; D178-V181 WeakPolarHBondContact O-CG1 3.36Å; V181-I183 HydrophobicContact CG2-CG2 4.43Å
182S92.2Very high90.2Very high4 Ų464.3 Ų64.33%0.02833%0.325CS..EExtended strand (participates in β ladder)trans-85.8137.3170.4-175.10000109.5M119 V120 A121M119-S182 PolarHBondContact O-N 3.36Å; V120-S182 CarbonylContact C-O 3.57Å; V120-S182 WeakPolarHBondContact CA-O 3.49Å; A121-S182 PolarHBondContact N-O 2.9Å
183I90.9Very high89.8Confident11 Ų1166.9 Ų66.96%0.05634%0.339CS..  trans-120.317.3179.957.8161.4000113.6A121 L147 F150 A151 L153 V181 E185 C186 M188A121-I183 HydrophobicContact CB-CG2 3.71Å; L147-I183 HydrophobicContact CB-CD1 4.13Å; L147-I183 HydrophobicContact CD2-CD1 3.8Å; L147-I183 HydrophobicContact CG-CD1 4.48Å; F150-I183 HydrophobicContact CB-CD1 3.63Å; F150-I183 WeakPolarHBondContact O-CG1 3.4Å; A151-I183 PolarHBondContact O-N 3.27Å; L153-I183 HydrophobicContact CD1-CD1 4.1Å; L153-I183 HydrophobicContact CD1-CG2 3.78Å; L153-I183 HydrophobicContact CD2-CD1 4.24Å; L153-I183 HydrophobicContact CG-CD1 3.81Å; L153-I183 HydrophobicContact CG-CG1 4.36Å; L153-I183 HydrophobicContact CG-CG2 4Å; V181-I183 HydrophobicContact CG2-CG2 4.43Å; I183-E185 PolarHBondContact O-N 2.89Å; I183-C186 WeakPolarHBondContact CA-SG 3.18Å; I183-M188 HydrophobicContact CB-CE 3.75Å; I183-M188 HydrophobicContact CD1-CE 4.32Å; I183-M188 HydrophobicContact CG2-CE 3.41Å; I183-M188 VanDerWaalsContact CG2-CE 3.41Å; I183-M188 HydrophobicContact CG2-SD 3.72Å
184I88.3Confident89.3Confident38 Ų3866.6 Ų66.620%0.19535%0.347CS..THydrogen-bonded Turntrans-72.4118-179.4-59169.8000108.8P65 L67 A151 C186P65-I184 HydrophobicContact CB-CD1 3.29Å; P65-I184 HydrophobicContact CG-CD1 3.98Å; L67-I184 HydrophobicContact CD2-CD1 3.84Å; A151-I184 HydrophobicContact CB-CD1 4.09Å; A151-I184 HydrophobicContact CB-CG1 4.13Å; I184-C186 PolarHBondContact O-N 3.04Å; I184-C186 VanDerWaalsContact O-N 3.11Å
185E82.3Confident88.6Confident194 Ų19462.3 Ų62.391%0.90733%0.328SS*.THydrogen-bonded Turntrans51.534.7174.7-60-178.3162.700113.9I183I183-E185 PolarHBondContact O-N 2.89Å
186C81.1Confident87.5Confident30 Ų3065.5 Ų65.520%0.20334%0.344CS..  trans-109.7144.8179.272.20000112.5V120 I183 I184V120-C186 HydrophobicContact CB-CB 4.37Å; I183-C186 WeakPolarHBondContact CA-SG 3.18Å; I184-C186 PolarHBondContact O-N 3.04Å; I184-C186 VanDerWaalsContact O-N 3.11Å
187D86.4Confident86.2Confident170 Ų17064 Ų6491%0.90936%0.36SS*.  trans-90.1109.9167.9-61.4-40.9000108.7
188M87.8Confident84.7Confident33 Ų3365.9 Ų65.916%0.16336%0.36CS..  trans-124.6150.7177.762.1173.9155.600111.2A121 S124 L147 L153 I183A121-M188 HydrophobicContact CB-CB 4.29Å; A121-M188 HydrophobicContact CB-SD 3.61Å; S124-M188 PolarHBondContact OG-SD 3.2Å; L147-M188 HydrophobicContact CD1-CE 3.76Å; L153-M188 HydrophobicContact CD1-CE 4.28Å; I183-M188 HydrophobicContact CB-CE 3.75Å; I183-M188 HydrophobicContact CD1-CE 4.32Å; I183-M188 HydrophobicContact CG2-CE 3.41Å; I183-M188 VanDerWaalsContact CG2-CE 3.41Å; I183-M188 HydrophobicContact CG2-SD 3.72Å
189N90Very high83.2Confident116 Ų11670.3 Ų70.362%0.6237%0.374SS*.EExtended strand (participates in β ladder)trans-78.8127.7174.1-78.457.7000110.3T122 Y123 S124T122-N189 PolarHBondContact O-N 3.03Å; Y123-N189 WeakPolarHBondContact CA-O 3.38Å; Y123-N189 HydrophobicContact CD2-CB 4Å; S124-N189 PolarHBondContact N-O 2.92Å
190V90.4Very high81.9Confident15 Ų1570.3 Ų70.39%0.09138%0.376CS..EExtended strand (participates in β ladder)trans-109.6122177.7175.40000109.6S124 F126 L143 F192S124-V190 WeakPolarHBondContact O-CA 3.46Å; F126-V190 HydrophobicContact CD2-CG1 3.84Å; F126-V190 HydrophobicContact CE2-CG1 3.99Å; F126-V190 HydrophobicContact CE2-CG2 4.36Å; L143-V190 HydrophobicContact CD2-CG1 3.5Å; L143-V190 VanDerWaalsContact CD2-CG1 3.5Å; V190-F192 HydrophobicContact CG1-CE1 4.49Å; V190-F192 HydrophobicContact CG1-CE2 4.13Å; V190-F192 HydrophobicContact CG1-CZ 4.01Å
191D91Very high80.7Confident69 Ų6973.9 Ų73.937%0.36940%0.399SS..EExtended strand (participates in β ladder)trans-113.9149.4170.3-78.1-12.3000111.3Y123 S124 K125 F126Y123-D191 HydrophobicContact CE2-CB 4.09Å; Y123-D191 WeakPolarHBondContact CE2-OD2 3.39Å; Y123-D191 WeakPolarHBondContact OH-CB 3.4Å; Y123-D191 PolarHBondContact OH-OD2 3.12Å; S124-D191 PolarHBondContact O-N 3.43Å; K125-D191 WeakPolarHBondContact CA-O 3.39Å; K125-D191 HydrophobicContact CG-CB 4.31Å; F126-D191 PolarHBondContact N-O 3.1Å
192F89.3Confident79.1Confident60 Ų6082.4 Ų82.426%0.26344%0.438SS..EExtended strand (participates in β ladder)trans-110.8136.9176-65.7-76.7000110.7F126 F133 P139 K140 L143 L170 V190F126-F192 HydrophobicContact CB-CD1 4.27Å; F126-F192 HydrophobicContact CB-CE1 4.4Å; F126-F192 CarbonylContact O-C 3.57Å; F126-F192 WeakPolarHBondContact O-CA 3.49Å; F133-F192 AromaticContact CE1-CD1 3.92Å; F133-F192 HydrophobicContact CE1-CD1 3.92Å; F133-F192 AromaticContact CE1-CE1 3.58Å; F133-F192 HydrophobicContact CE1-CE1 3.58Å; F133-F192 HydrophobicContact CE1-CZ 4.11Å; F133-F192 HydrophobicContact CZ-CD1 4.43Å; F133-F192 AromaticContact CZ-CE1 3.66Å; F133-F192 HydrophobicContact CZ-CE1 3.66Å; F133-F192 HydrophobicContact CZ-CZ 4.04Å; P139-F192 HydrophobicContact CB-CE2 4.27Å; P139-F192 HydrophobicContact CB-CZ 4.19Å; P139-F192 HydrophobicContact CG-CE2 4.49Å; K140-F192 HydrophobicContact CG-CE2 3.66Å; L143-F192 HydrophobicContact CB-CZ 4.28Å; L143-F192 HydrophobicContact CD2-CE1 3.92Å; L143-F192 HydrophobicContact CD2-CZ 3.87Å; L170-F192 HydrophobicContact CD2-CE1 4.41Å; V190-F192 HydrophobicContact CG1-CE1 4.49Å; V190-F192 HydrophobicContact CG1-CE2 4.13Å; V190-F192 HydrophobicContact CG1-CZ 4.01Å
193D86.4Confident77.4Confident55 Ų5592.8 Ų92.829%0.29448%0.477SS..PPolyproline II helixtrans-92.5164.5167.1-141.6-21000111.3K125 F126 Q127 P128K125-D193 VanDerWaalsContact CE-OD2 3.31Å; K125-D193 WeakPolarHBondContact CE-OD2 3.33Å; K125-D193 VanDerWaalsContact NZ-CG 3.25Å; K125-D193 IonicContact NZ-OD1 3.92Å; K125-D193 IonicContact NZ-OD2 3.69Å; K125-D193 PolarHBondContact NZ-OD2 2.97Å; F126-D193 PolarHBondContact O-N 3.34Å; Q127-D193 HydrophobicContact CB-CB 4.14Å; Q127-D193 HydrophobicContact CG-CB 4.36Å; P128-D193 WeakPolarHBondContact CD-O 3.47Å
194A81.1Confident75.6Confident58 Ų58103.3 Ų103.348%0.47952%0.516SS..PPolyproline II helixtrans-59.2133.3174.300000110.4Q127Q127-A194 PolarHBondContact NE2-O 2.9Å; Q127-A194 VanDerWaalsContact NE2-O 3.11Å
195P79.6Confident73.6Confident13 Ų13106 Ų1068%0.08453%0.534CS..PPolyproline II helixtrans-66.3150.3179.516.1-17.7000111.6P128 L134 G197 Y198P128-P195 HydrophobicContact CB-CB 4.14Å; P128-P195 HydrophobicContact CG-CB 4.44Å; P128-P195 VanDerWaalsContact O-CA 3.22Å; P128-P195 WeakPolarHBondContact O-CA 3.39Å; P128-P195 WeakPolarHBondContact O-CB 3.48Å; L134-P195 HydrophobicContact CD1-CG 3.75Å; L134-P195 HydrophobicContact CD2-CG 4.16Å; L134-P195 HydrophobicContact CG-CG 3.97Å; P195-G197 PolarHBondContact O-N 3.33Å; P195-Y198 HydrophobicContact CG-CG 4.46Å; P195-Y198 PolarHBondContact O-N 3.3Å
196L70.4Confident72Confident80 Ų80105.9 Ų105.942%0.41953%0.534SS..THydrogen-bonded Turntrans-63.1126.9177.2-68.6174.7000110.1P128P128-L196 PolarHBondContact O-N 3.29Å
197G63.6Low70.3Confident79 Ų79110.3 Ų110.381%0.81456%0.555SS**THydrogen-bonded Turntrans861.117900000115.5P195 K199P195-G197 PolarHBondContact O-N 3.33Å; G197-K199 PolarHBondContact O-N 3.28Å
198Y59.6Low68.3Low106 Ų106110.8 Ų110.842%0.41655%0.552SS.*  trans-69105.3169.1-172.1-106.4000109.9L134 P195 E200 P201L134-Y198 HydrophobicContact CD1-CD2 3.39Å; L134-Y198 HydrophobicContact CD1-CE2 3.5Å; L134-Y198 VanDerWaalsContact CD1-CE2 3.5Å; L134-Y198 HydrophobicContact CD1-CG 4.23Å; P195-Y198 HydrophobicContact CG-CG 4.46Å; P195-Y198 PolarHBondContact O-N 3.3Å; Y198-E200 HydrophobicContact CD1-CB 4.31Å; Y198-E200 HydrophobicContact CE1-CB 3.87Å; Y198-E200 HydrophobicContact CE1-CG 4.17Å; Y198-E200 PolarHBondContact O-N 3.43Å; Y198-P201 WeakPolarHBondContact OH-CD 3.15Å
199K61Low66.1Low194 Ų194117 Ų11784%0.84359%0.585SS**  trans-78.2109.2156-72.7-177.8178.8-1790105.4G197 P201G197-K199 PolarHBondContact O-N 3.28Å; K199-P201 WeakPolarHBondContact O-CD 3.42Å
200E64.8Low63.8Low142 Ų142119.8 Ų119.866%0.66460%0.595SS**  trans-47.5118.3167.2-170.2163.2-171.300106.4Y198 E202Y198-E200 HydrophobicContact CD1-CB 4.31Å; Y198-E200 HydrophobicContact CE1-CB 3.87Å; Y198-E200 HydrophobicContact CE1-CG 4.17Å; Y198-E200 PolarHBondContact O-N 3.43Å; E200-E202 VanDerWaalsContact C-N 3.31Å; E200-E202 PolarHBondContact O-N 2.86Å
201P65.9Low61.5Low85 Ų85125.1 Ų125.155%0.55263%0.63SS**  trans-57113.2172.422.3-27.3000102.8Y198 K199 R203Y198-P201 WeakPolarHBondContact OH-CD 3.15Å; K199-P201 WeakPolarHBondContact O-CD 3.42Å; P201-R203 PolarHBondContact O-N 3.4Å
202E59.6Low59.1Low178 Ų178128.2 Ų128.283%0.83265%0.651SS**  trans-43.7116.3172.6-75.9-176.1164.800103.3E200 R204E200-E202 VanDerWaalsContact C-N 3.31Å; E200-E202 PolarHBondContact O-N 2.86Å; E202-R204 PolarHBondContact O-N 2.66Å
203R56.6Low56.7Low223 Ų223134.4 Ų134.484%0.84268%0.681SS**  trans-52.9105.2164.8-83.9-178.5177.3-179.30.5101.1P201 T205P201-R203 PolarHBondContact O-N 3.4Å; R203-T205 PolarHBondContact O-N 3Å
204R53Low54.6Low231 Ų231140.5 Ų140.587%0.87271%0.708SS**  trans-5692.8149.8-75-176177.9-175.1-1.4100.1E202 Q206E202-R204 PolarHBondContact O-N 2.66Å; R204-Q206 VanDerWaalsContact C-N 3.26Å; R204-Q206 PolarHBondContact O-N 2.9Å
205T46.7Very low53Low95 Ų95147.8 Ų147.858%0.58373%0.732SS**  trans-38.8115.8148.4-28.60000100.8R203 N207R203-T205 PolarHBondContact O-N 3Å; T205-N207 WeakPolarHBondContact CB-OD1 3.12Å; T205-N207 WeakPolarHBondContact CG2-OD1 3.33Å; T205-N207 PolarHBondContact O-N 3.28Å
206Q48.6Very low50.9Low191 Ų191150.4 Ų150.489%0.89376%0.761SS**  trans-65.970.4159.5-70.3176.711.600103.8R204 H208R204-Q206 VanDerWaalsContact C-N 3.26Å; R204-Q206 PolarHBondContact O-N 2.9Å; Q206-H208 PolarHBondContact O-N 2.92Å
207N44Very low49.1Very low124 Ų124152.9 Ų152.966%0.66378%0.775SS**  trans-60.692.3147.4-70.4-10.9000100.7T205 D209T205-N207 WeakPolarHBondContact CB-OD1 3.12Å; T205-N207 WeakPolarHBondContact CG2-OD1 3.33Å; T205-N207 PolarHBondContact O-N 3.28Å; N207-D209 PolarHBondContact O-N 3.42Å
208H44.5Very low47.9Very low179 Ų179154 Ų15483%0.82978%0.777SS**  trans-32.6124.4146.5-136.5-78.5000106.9Q206 E210Q206-H208 PolarHBondContact O-N 2.92Å; H208-E210 PolarHBondContact O-N 3.46Å
209D41.5Very low47Very low163 Ų163153.1 Ų153.187%0.87279%0.786SS**SBendtrans-43.3103.5179.6-70.6-63.2000110.6N207N207-D209 PolarHBondContact O-N 3.42Å
210E43.1Very low46Very low176 Ų176148.3 Ų148.382%0.82278%0.777SS**  trans-120.6130.3144.8-76-156.3126.300106.3H208 T212H208-E210 PolarHBondContact O-N 3.46Å; E210-T212 PolarHBondContact O-N 2.82Å
211P40.5Very low44.8Very low126 Ų126151.6 Ų151.682%0.81878%0.784SS**  trans-64.5138-169.6-14.829000110.8E213P211-E213 PolarHBondContact O-N 3.26Å
212T42.1Very low43.6Very low134 Ų134152 Ų15282%0.82280%0.795SS**  trans-54.5124.9170.4-41.20000110.3E210E210-T212 PolarHBondContact O-N 2.82Å
213E38.8Very low42.9Very low191 Ų191150.3 Ų150.389%0.89379%0.792SS**  trans-108.1126.5154.5-78.8-170.8175.700108.8P211P211-E213 PolarHBondContact O-N 3.26Å
214E40.8Very low42.3Very low182 Ų182147.8 Ų147.885%0.8579%0.791SS**  trans-55.1161.7176-65168.4160.500112.1G216E214-G216 PolarHBondContact O-N 2.95Å
215E48.9Very low42Very low211 Ų211143.8 Ų143.899%0.98679%0.788SS**  trans-41.2104173.1-66.9-179.5140.700112.6
216G34.3Very low41.9Very low68 Ų68143 Ų14370%0.70178%0.783SS**  trans-121.1118.2172.400000109.6E214E214-G216 PolarHBondContact O-N 2.95Å
217D33Very low42.2Very low132 Ų132136.4 Ų136.471%0.70677%0.766SS**  trans-30.5138.7175-161.218.7000115.6S219D217-S219 PolarHBondContact O-N 2.8Å; D217-S219 PolarHBondContact OD2-OG 2.65Å
218A38.8Very low42.5Very low104 Ų104139.4 Ų139.486%0.8677%0.773SS**THydrogen-bonded Turntrans-73.432.9-172.600000114.5
219S41.4Very low42.9Very low86 Ų86138.2 Ų138.260%0.60176%0.762SS**THydrogen-bonded Turntrans-118.3-0.7-17257.80000114.6D217D217-S219 PolarHBondContact O-N 2.8Å; D217-S219 PolarHBondContact OD2-OG 2.65Å
220S38.2Very low43.4Very low93 Ų93132.6 Ų132.665%0.6574%0.738SS**SBendtrans-97.3-8.2-175.362.50000116.2A222S220-A222 VanDerWaalsContact C-N 3.33Å; S220-A222 PolarHBondContact O-N 3.41Å
221Y40.5Very low43.9Very low211 Ų211133.1 Ų133.183%0.82774%0.738SS**G310 helixtrans-88.311.4-178.7-74.9-80.2000115.1D223Y221-D223 VanDerWaalsContact C-N 3.31Å; Y221-D223 PolarHBondContact O-N 3.42Å
222A40.4Very low44.8Very low93 Ų93132.3 Ų132.377%0.76973%0.731SS**G310 helixtrans-82.72.3-17800000114.9S220S220-A222 VanDerWaalsContact C-N 3.33Å; S220-A222 PolarHBondContact O-N 3.41Å
223D44.3Very low45.4Very low143 Ų143128.7 Ų128.777%0.76572%0.72SS**G310 helixtrans-127.628.7-173-154.129.7000115.4Y221Y221-D223 VanDerWaalsContact C-N 3.31Å; Y221-D223 PolarHBondContact O-N 3.42Å
224M43.9Very low46.4Very low170 Ų170124.9 Ų124.984%0.83771%0.714SS**  trans-109.449167.6-84.2-80.3-178.200111.1T226M224-T226 VanDerWaalsContact C-N 3.33Å
225D46.8Very low47.3Very low148 Ų148119.9 Ų119.979%0.79171%0.711SS**  trans-99.944.4168.6-147.223.6000111.3
226T46.3Very low47.8Very low78 Ų78116.8 Ų116.848%0.47970%0.702SS.*  trans-116.8101.1167.862.90000108.8M224M224-T226 VanDerWaalsContact C-N 3.33Å
227G54.8Low48.9Very low53 Ų53122.3 Ų122.355%0.54670%0.701SS.*  trans-50.8164.1174.900000113.5R229G227-R229 PolarHBondContact O-N 3.06Å
228F49.8Very low50.1Low186 Ų186125.1 Ų125.182%0.81672%0.715SS**  trans-45.6110-176.2-179.6-99.6000112.7A230F228-A230 HydrophobicContact CE1-CB 3.92Å
229R53Low51.1Low155 Ų155126.8 Ų126.859%0.58571%0.71SS**  trans-97.7106.4175.3-72.9177163.9166.1-3.6109.4G227 T232G227-R229 PolarHBondContact O-N 3.06Å; R229-T232 HydrophobicContact CB-CG2 3.42Å; R229-T232 VanDerWaalsContact CB-CG2 3.42Å; R229-T232 HydrophobicContact CG-CG2 4.43Å
230A51.5Low51.9Low45 Ų45126.1 Ų126.137%0.37272%0.716SS.*THydrogen-bonded Turntrans-74.5136.8174.400000110.9F228F228-A230 HydrophobicContact CE1-CB 3.92Å
231F54.3Low53Low186 Ų186130 Ų13082%0.81672%0.721SS**THydrogen-bonded Turntrans66.741.1175.2-49.6-79.2000116.5G233F231-G233 PolarHBondContact O-N 3.34Å
232T57.8Low53.7Low110 Ų110126.3 Ų126.368%0.67572%0.721SS**  trans-77.227.1172.853.30000114.5R229R229-T232 HydrophobicContact CB-CG2 3.42Å; R229-T232 VanDerWaalsContact CB-CG2 3.42Å; R229-T232 HydrophobicContact CG-CG2 4.43Å
233G55.9Low54Low57 Ų57131.3 Ų131.359%0.58873%0.725SS**SBendtrans-110.5133.7179.600000111.8F231 G235F231-G233 PolarHBondContact O-N 3.34Å; G233-G235 PolarHBondContact O-N 2.95Å
234S60.3Low54.5Low112 Ų112128.1 Ų128.178%0.78373%0.726SS**PPolyproline II helixtrans-71.2119.5170.156.50000110.2
235G59.2Low55Low76 Ų76126.9 Ų126.978%0.78472%0.722SS**PPolyproline II helixtrans-78.1126.4175.900000112G233G233-G235 PolarHBondContact O-N 2.95Å
236N59.7Low55.3Low147 Ų147128.7 Ų128.779%0.78673%0.725SS**PPolyproline II helixtrans-97.1132.3175.2-91.3-17.3000111.7
237R56.7Low55.6Low184 Ų184128.9 Ų128.969%0.69473%0.728SS**PPolyproline II helixtrans-86.7132.2174.2-63.517972.2153.11.1109.3D239 G240R237-D239 PolarHBondContact O-N 3.45Å; R237-G240 PolarHBondContact O-N 3.06Å
238L57.9Low55.5Low191 Ų191131.9 Ų131.9100%174%0.74SS**THydrogen-bonded Turntrans-68.2-0.2179.8-90.1148.9000115
239D60.3Low55.7Low139 Ų139126.6 Ų126.674%0.74373%0.725SS**THydrogen-bonded Turntrans-104.418.2-179.4-152.115.7000113.1R237 K241R237-D239 PolarHBondContact O-N 3.45Å; D239-K241 PolarHBondContact O-N 3.25Å
240G58.2Low55.5Low71 Ų71123.4 Ų123.473%0.73273%0.732SS**SBendtrans68.60.2164.300000118R237R237-G240 PolarHBondContact O-N 3.06Å
241K61.3Low55.5Low174 Ų174127.1 Ų127.176%0.75775%0.752SS**  trans-106.7114178.6-65.7178.1-174.6172.10111.4D239 K243D239-K241 PolarHBondContact O-N 3.25Å; K241-K243 PolarHBondContact O-N 3.29Å
242T54.9Low55.3Low135 Ų135126 Ų12683%0.82875%0.753SS**  trans-86.298.117645.90000110.1
243K46.5Very low54.7Low197 Ų197127.4 Ų127.486%0.85776%0.763SS**  trans-126.9119.8158.6-137.7178.2-176.2-177.20109K241K241-K243 PolarHBondContact O-N 3.29Å
244G55.2Low54.4Low76 Ų76128.1 Ų128.178%0.78476%0.763SS**  trans-62.4138-157.700000115.7
245I53.9Low54Low144 Ų144127.5 Ų127.574%0.73876%0.758SS**  trans-115.2105155.5-63.1165.7000103.7P247I245-P247 WeakPolarHBondContact O-CD 3.07Å
246E53.4Low53.7Low186 Ų186130.2 Ų130.287%0.86976%0.755SS**  trans-79119.4170.7-66.4-148145.600108.4S248E246-S248 PolarHBondContact O-N 3.23Å
247P52.9Low53.4Low83 Ų83130.7 Ų130.754%0.53976%0.756SS.*  trans-72.5126.8171.628.6-30.2000108.9I245 P249I245-P247 WeakPolarHBondContact O-CD 3.07Å; P247-P249 WeakPolarHBondContact O-CD 3.32Å
248S52.6Low53.3Low115 Ų115129.2 Ų129.280%0.80476%0.755SS**  trans-91.798.8167.166.10000109.3E246 A250E246-S248 PolarHBondContact O-N 3.23Å; S248-A250 PolarHBondContact O-N 3.32Å
249P53.9Low52.9Low75 Ų75132.5 Ų132.549%0.48775%0.753SS.*PPolyproline II helixtrans-71.3118.5175.527.6-32.6000109.5P247P247-P249 WeakPolarHBondContact O-CD 3.32Å
250A48.5Very low52.7Low89 Ų89129.6 Ų129.674%0.73676%0.756SS**PPolyproline II helixtrans-76.6123.7166.700000108.7S248 L252S248-A250 PolarHBondContact O-N 3.32Å; A250-L252 PolarHBondContact O-N 3.22Å
251P52Low52.6Low122 Ų122132.1 Ų132.179%0.79275%0.752SS**PPolyproline II helixtrans-70.5120176.926.5-30.5000109.8
252L49.4Very low52.3Low162 Ų162127.7 Ų127.785%0.84874%0.741SS**PPolyproline II helixtrans-80.3119.8161.3-71.7167.2000106.9A250 A254A250-L252 PolarHBondContact O-N 3.22Å; L252-A254 PolarHBondContact O-N 3.45Å
253T46.6Very low52.7Low141 Ų141126.9 Ų126.987%0.86573%0.731SS**  trans-66.599.6177.152.70000109S255T253-S255 PolarHBondContact O-N 3Å
254A48.6Very low53.5Low71 Ų71127 Ų12759%0.58773%0.728SS**  trans-69.9113.7163.900000106.5L252 D256L252-A254 PolarHBondContact O-N 3.45Å; A254-D256 PolarHBondContact O-N 3.4Å
255S53Low53.8Low99 Ų99130.3 Ų130.369%0.69273%0.727SS**  trans-60.5121.8171.150.80000108.6T253 I257T253-S255 PolarHBondContact O-N 3Å; S255-I257 PolarHBondContact O-N 3.45Å
256D51.6Low54.3Low134 Ų134130.4 Ų130.472%0.71772%0.723SS**  trans-55.398.2-176.5-64.5-42.2000112.9A254 K258A254-D256 PolarHBondContact O-N 3.4Å; D256-K258 PolarHBondContact O-N 2.96Å
257I54.8Low54.9Low157 Ų157130.7 Ų130.781%0.80572%0.721SS**  trans-93.791.9165.7-55.9173.4000107.1S255S255-I257 PolarHBondContact O-N 3.45Å
258K53.7Low55.2Low153 Ų153132.9 Ų132.967%0.66573%0.733SS**  trans-75.9125.4172.1-67-172.3178.9-176.30109.8D256 G260D256-K258 PolarHBondContact O-N 2.96Å; K258-G260 PolarHBondContact O-N 3.25Å
259R50.5Low56Low259 Ų259130 Ų13098%0.97772%0.721SS**THydrogen-bonded Turntrans-65.3123.4-179.7-151.7177.6-171.8-169.31.9109.2
260G55.1Low56.7Low78 Ų78137.9 Ų137.980%0.80474%0.741SS**THydrogen-bonded Turntrans107.9-5.3175.800000116.2K258K258-G260 PolarHBondContact O-N 3.25Å
261I56.2Low57Low124 Ų124140.4 Ų140.464%0.63674%0.741SS**  trans-111.3115.6172.6-55.8174.4000108.6N263I261-N263 PolarHBondContact O-N 3.47Å
262P55.3Low57Low81 Ų81140.1 Ų140.153%0.52674%0.737SS.*  trans-62.1132.4173.5-1830.1000110.4Y264P262-Y264 HydrophobicContact CB-CE2 4.1Å; P262-Y264 HydrophobicContact CG-CE2 4.44Å; P262-Y264 WeakPolarHBondContact O-CD2 3.1Å; P262-Y264 WeakPolarHBondContact O-CE2 3.37Å; P262-Y264 PolarHBondContact O-N 3.39Å
263N63Low56.8Low118 Ų118140.2 Ų140.263%0.63173%0.731SS**  trans-78.6106.2176.6-173.6-6.7000110I261 D265I261-N263 PolarHBondContact O-N 3.47Å; N263-D265 PolarHBondContact OD1-N 3.27Å; N263-D265 VanDerWaalsContact OD1-N 3.11Å
264Y63.4Low57.1Low201 Ų201140.8 Ų140.879%0.78873%0.727SS**THydrogen-bonded Turntrans-81.3-10.8-178.4-66.7-81.8000114.1P262P262-Y264 HydrophobicContact CB-CE2 4.1Å; P262-Y264 HydrophobicContact CG-CE2 4.44Å; P262-Y264 WeakPolarHBondContact O-CD2 3.1Å; P262-Y264 WeakPolarHBondContact O-CE2 3.37Å; P262-Y264 PolarHBondContact O-N 3.39Å
265D61.4Low57Low144 Ų144147.5 Ų147.577%0.7774%0.738SS**THydrogen-bonded Turntrans-96.213.1178.5-72.7-38.1000113.2N263 K267N263-D265 PolarHBondContact OD1-N 3.27Å; N263-D265 VanDerWaalsContact OD1-N 3.11Å; D265-K267 PolarHBondContact O-N 3.29Å; D265-K267 VanDerWaalsContact O-N 3.16Å
266F64.9Low56.7Low147 Ų147149.6 Ų149.665%0.64574%0.741SS**  trans-65.4115.7-179.4177.5-104.1000111.8V268F266-V268 HydrophobicContact CD1-CG2 4.33Å; F266-V268 HydrophobicContact CE1-CB 4.39Å; F266-V268 HydrophobicContact CE1-CG2 3.76Å
267K66.2Low56.8Low191 Ų191148.2 Ų148.283%0.8374%0.742SS**  trans-98.1122.7169.2-66.2-176.9-178.4177.20109.3D265 G269D265-K267 PolarHBondContact O-N 3.29Å; D265-K267 VanDerWaalsContact O-N 3.16Å; K267-G269 PolarHBondContact O-N 3.11Å
268V58.3Low56.5Low129 Ų129151.3 Ų151.378%0.78274%0.743SS**  trans-61.3105.3179.4-179.50000109.8F266F266-V268 HydrophobicContact CD1-CG2 4.33Å; F266-V268 HydrophobicContact CE1-CB 4.39Å; F266-V268 HydrophobicContact CE1-CG2 3.76Å
269G69.6Low56.3Low55 Ų55149.7 Ų149.757%0.56775%0.748SS**  trans-81.2151.7172.100000112.2K267K267-G269 PolarHBondContact O-N 3.11Å
270R68.9Low56Low240 Ų240146.1 Ų146.191%0.90674%0.743SS**  trans-83.8116.9176.1-164.1175.9-175.1171.91.5109.7T272R270-T272 PolarHBondContact O-N 2.95Å
271I53.5Low55.4Low142 Ų142148 Ų14873%0.72874%0.741SS**  trans-72.8112.2177.5-57.5173.5000108.8F273I271-F273 HydrophobicContact CG2-CD2 4.46Å; I271-F273 HydrophobicContact CG2-CE2 4.01Å; I271-F273 HydrophobicContact CG2-CZ 4.08Å
272T53.2Low55Low116 Ų116153.5 Ų153.571%0.71275%0.754SS**  trans-102.3120.2170.348.80000110.1R270R270-T272 PolarHBondContact O-N 2.95Å
273F44.4Very low54.1Low164 Ų164161.3 Ų161.372%0.71977%0.773SS**  trans-80.6119.8172.6-65.1-88.4000109.6I271 R275I271-F273 HydrophobicContact CG2-CD2 4.46Å; I271-F273 HydrophobicContact CG2-CE2 4.01Å; I271-F273 HydrophobicContact CG2-CZ 4.08Å; F273-R275 VanDerWaalsContact C-N 3.26Å; F273-R275 HydrophobicContact CB-CG 4.38Å; F273-R275 PolarHBondContact O-N 3.29Å
274I53.4Low52.7Low154 Ų154163.3 Ų163.379%0.7978%0.783SS**  trans-74.187.7165.7-55.8172.9000106.9N276I274-N276 PolarHBondContact O-N 3.3Å
275R47.4Very low51.7Low212 Ų212161.1 Ų161.180%0.878%0.784SS**  trans-7797.1165.8-65.7-176.9-174.9171.51.6107F273 S277F273-R275 VanDerWaalsContact C-N 3.26Å; F273-R275 HydrophobicContact CB-CG 4.38Å; F273-R275 PolarHBondContact O-N 3.29Å; R275-S277 PolarHBondContact O-N 3.41Å
276N45.8Very low50.5Low143 Ų143163.5 Ų163.577%0.76579%0.79SS**  trans-77.569.6176.3-142.456.3000109.9I274I274-N276 PolarHBondContact O-N 3.3Å
277S54.1Low49.1Very low104 Ų104163.3 Ų163.373%0.72780%0.796SS**  trans-9389.4164.8590000108.4R275R275-S277 PolarHBondContact O-N 3.41Å
278R48.3Very low47.6Very low222 Ų222161.5 Ų161.584%0.83880%0.795SS**  trans-111.9120.9161.1-94.7-175.1177.1-177.1-0.1109.5
279P49.9Very low46.6Very low119 Ų119162.4 Ų162.477%0.77380%0.796SS**PPolyproline II helixtrans-67.8140.4171.727.7-30.5000109.6
280Q44.5Very low45.3Very low184 Ų184164 Ų16486%0.8680%0.803SS**PPolyproline II helixtrans-69.9130.4178.7-68.9-149.40.200111.3
281P42.5Very low43.9Very low118 Ų118160.7 Ų160.777%0.76680%0.8SS**PPolyproline II helixtrans-76.5127.2162.930.2-27.6000109R283P281-R283 PolarHBondContact O-N 3.16Å
282R47.1Very low43.8Very low240 Ų240161.5 Ų161.591%0.90681%0.806SS**PPolyproline II helixtrans-63.2130.8167.8-65.8-179175.1-172.9-2.2108.7
283R37.5Very low43.5Very low245 Ų245167.3 Ų167.393%0.92582%0.815SS**  trans-156.2147.5155.3-112.6167.7-167.4-165.71.5113.1P281P281-R283 PolarHBondContact O-N 3.16Å
284N33.2Very low44Very low160 Ų160168.6 Ų168.686%0.85682%0.82SS**  trans-71.1159.3-161.7-65.3-31.9000113.9
285I41.9Very low44.1Very low155 Ų155167.6 Ų167.680%0.79582%0.815SS**  trans-64133.2169-63.6159.7000109.3
286E35Very low43.8Very low193 Ų193160.3 Ų160.390%0.90280%0.801SS**  trans-155.8136.3145.2-109168.4-15800108.7
287D37.3Very low44Very low143 Ų143163.4 Ų163.477%0.76581%0.807SS**  trans-70.5141.6-174.7-65-61.6000112.6
288D34.6Very low44.2Very low154 Ų154163.7 Ų163.782%0.82481%0.81SS**  173.2142114.1-108.7-23.9000113.3
289D36.7Very low44.3Very low148 Ų148156.4 Ų156.479%0.79180%0.803SS**  trans56.8104.6159.8-89.2-32.2000124.2
290A42.4Very low44.6Very low87 Ų87160.5 Ų160.572%0.71981%0.812SS**  28.4111.8127.200000120.4
291M39.5Very low45.1Very low172 Ų172155.5 Ų155.585%0.84781%0.81SS**  -179.2122.4104-156.282.6122.200109.7
292N50.3Low45.9Very low158 Ų158159.2 Ų159.285%0.84582%0.817SS**  trans59.776.3165.1-72.6-12.2000119.6
293R47.8Very low46.4Very low239 Ų239153.3 Ų153.390%0.90281%0.813SS**  trans-109.9106.6151.4-144175.1-165.8151.23.4109.7I295R293-I295 PolarHBondContact O-N 2.98Å
294F55.3Low47.2Very low190 Ų190150 Ų15083%0.83381%0.812SS**  trans-56.9123.5175.8177.8-100.6000110.6A296F294-A296 HydrophobicContact CD1-CB 4.47Å; F294-A296 HydrophobicContact CE1-CB 3.88Å
295I55.3Low48Very low134 Ų134153.4 Ų153.469%0.68781%0.813SS**  trans-103.1110.1174.2-60.9167.9000107.2R293R293-I295 PolarHBondContact O-N 2.98Å
296A41.2Very low48.5Very low59 Ų59156.3 Ų156.349%0.48882%0.82SS.*SBendtrans-79129.7171.800000109.7F294F294-A296 HydrophobicContact CD1-CB 4.47Å; F294-A296 HydrophobicContact CE1-CB 3.88Å
297F49.8Very low49.2Very low207 Ų207156.9 Ų156.991%0.90882%0.82SS**  trans70.356.7172.9-56.2-84.1000117.5G299F297-G299 PolarHBondContact O-N 3.35Å
298S57.9Low49.7Very low111 Ų111153.7 Ų153.778%0.77682%0.82SS**  trans-85.582.6159.763.40000110.8
299G50Low50.2Low68 Ų68158.2 Ų158.270%0.70183%0.826SS**  trans-126.4120170.500000110.3F297 G301F297-G299 PolarHBondContact O-N 3.35Å; G299-G301 PolarHBondContact O-N 3.26Å
300Q57.7Low50.9Low205 Ų205160.4 Ų160.496%0.95883%0.828SS**PPolyproline II helixtrans-70.9119.8169.6-101.1179.2-16.500109.3
301G55Low51.8Low80 Ų80165.8 Ų165.883%0.82586%0.856SS**PPolyproline II helixtrans-75.5128.617400000111.9G299G299-G301 PolarHBondContact O-N 3.26Å
302Q59Low52.4Low195 Ų195165.5 Ų165.591%0.91186%0.857SS**PPolyproline II helixtrans-94.8133.1169-85-171.1-5.700111
303S56.8Low52.5Low116 Ų116165.9 Ų165.981%0.81186%0.857SS**PPolyproline II helixtrans-92.1119178.2-176.10000111.6R305S303-R305 PolarHBondContact O-N 2.94Å
304L53.8Low52.8Low175 Ų175161.8 Ų161.892%0.91686%0.855SS**  trans-86.575.6173.6-83.1157.9000110.5
305R49.8Very low52.7Low233 Ų233160.2 Ų160.288%0.87986%0.856SS**  trans-158.2106.8159.9-113.6172.9176.4-149.4-1.9111.1S303 K307S303-R305 PolarHBondContact O-N 2.94Å; R305-K307 PolarHBondContact O-N 2.88Å
306K53.9Low52.5Low216 Ų216161.8 Ų161.894%0.93987%0.866SS**  trans-72112.1165.9-74.8-176.8178.81780108.4G308K306-G308 PolarHBondContact O-N 3.5Å
307K49.9Very low53.3Low205 Ų205168.7 Ų168.789%0.89189%0.892SS**  trans-68.3111.9170.6-141.3177.7-173.8-1790107.5R305 R309R305-K307 PolarHBondContact O-N 2.88Å; K307-R309 PolarHBondContact O-N 3.18Å
308G46.6Very low53.5Low75 Ų75165.9 Ų165.977%0.77389%0.891SS**  trans-59.2124.3171.900000110K306K306-G308 PolarHBondContact O-N 3.5Å
309R46.1Very low53.2Low249 Ų249170.2 Ų170.294%0.9490%0.899SS**  trans-77.4121.3172.8-151.9178.2-174.4-176.61.1106.9K307K307-R309 PolarHBondContact O-N 3.18Å
310K50.3Low53.4Low195 Ų195178.7 Ų178.785%0.84892%0.916SS**  trans-105.1145.7162.3-87.8-172.1177.2-176.30108.9
311P62.1Low53Low200 Ų200176.3 Ų176.3100%1.29991%0.912SS**  trans-66.10-170.429.2-36.3000113

Retrieved 311 of 311 residues in 57.3 ms (Link to these results)

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