A0A087WQW6_MOUSE Loading...

receptor protein-tyrosine kinase

AlphaFold DB , UniProt , Accession A0A087WQW6, Species MOUSE (Mus musculus, Mouse), Gene Epha4, Length 177 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
1M38Very low38.9Very low252 Ų252160.5 Ų160.5100%1.24185%0.849SS**  0124.50-101.2174.6-97.900107.6
2A34.7Very low39.4Very low111 Ų111161.8 Ų161.892%0.91784%0.842SS**  trans-89.8157.6-171.900000112.4
3G35.7Very low39.3Very low72 Ų72162.5 Ų162.574%0.74285%0.846SS**  trans118.5137.2159.200000114.5
4I45.2Very low39.9Very low161 Ų161165.6 Ų165.683%0.82685%0.85SS**  cis-155.4148.37.3-85.9154.7000107.6
5F39Very low40Very low167 Ų167159.2 Ų159.273%0.73284%0.841SS**  trans-66.5145.6172.7-82.6-111.3000113.6F7F5-F7 HydrophobicContact CD1-CD2 4.05Å; F5-F7 AromaticContact CD1-CE2 3.89Å; F5-F7 HydrophobicContact CD1-CE2 3.89Å; F5-F7 HydrophobicContact CE1-CE2 4.01Å
6Y34.6Very low40.8Very low227 Ų227158.6 Ų158.689%0.8984%0.837SS**  trans-143.1117.6138.9-98-80.2000110.6
7F40.2Very low41.4Very low157 Ų157156.4 Ų156.469%0.68984%0.836SS**  trans-69.1133.1166.9-92-103.7000109.9F5 L9F5-F7 HydrophobicContact CD1-CD2 4.05Å; F5-F7 AromaticContact CD1-CE2 3.89Å; F5-F7 HydrophobicContact CD1-CE2 3.89Å; F5-F7 HydrophobicContact CE1-CE2 4.01Å; F7-L9 HydrophobicContact CD1-CD1 4.23Å
8I48.5Very low41.6Very low171 Ų171155 Ų15588%0.87783%0.828SS**  trans-128.9124.2145.8-61.5-169.9000108.2
9L37.7Very low42Very low139 Ų139151.6 Ų151.673%0.72882%0.824SS**  trans-71.7137.3-170.6-11485.3000113.2F7F7-L9 HydrophobicContact CD1-CD1 4.23Å
10F37.7Very low42.4Very low180 Ų180149.6 Ų149.679%0.78982%0.816SS**  trans8.6130.3141.7-91.9-98.5000119.8
11S36.3Very low42.7Very low129 Ų129148.3 Ų148.390%0.90281%0.813SS**  trans-161.782.8133.2-72.30000110.5
12F44.8Very low43.1Very low176 Ų176140.3 Ų140.377%0.77280%0.796SS**  trans-93.4132.3150-92-87.1000106.5
13L38.6Very low43.8Very low170 Ų170139 Ų13989%0.8978%0.78SS**  178.2140.4119.1-102.9128.1000111.8
14F47.2Very low44.8Very low206 Ų206145.1 Ų145.190%0.90478%0.781SS**  trans-52149.5178.9-80.5-105.1000115.4
15G41.7Very low45.3Very low70 Ų70144 Ų14472%0.72278%0.781SS**  trans146.3124.9164.300000108.9
16I52.8Low46.2Very low149 Ų149139.2 Ų139.276%0.76476%0.758SS**  cis-154.8151.119.2-55.8172.2000105.8D18I16-D18 PolarHBondContact O-N 2.84Å
17C51.3Low47.6Very low122 Ų122131.9 Ų131.982%0.82474%0.739SS**  trans-70.1102.6167.3-178.80000108.9
18D44.3Very low48.6Very low131 Ų131129.6 Ų129.670%0.70175%0.749SS**  trans-112.2103.4163.8-76.9-35.9000109.5I16 V20I16-D18 PolarHBondContact O-N 2.84Å; D18-V20 HydrophobicContact CB-CG2 4.3Å; D18-V20 PolarHBondContact O-N 3.48Å
19A50.2Low49.6Very low90 Ų90128.6 Ų128.674%0.74475%0.745SS**  trans-64.387.1161.700000108.6T21A19-T21 VanDerWaalsContact C-N 3.33Å; A19-T21 PolarHBondContact O-N 3.17Å
20V49.4Very low51.8Low111 Ų111125.1 Ų125.167%0.67373%0.726SS**  trans-80.791.8167.9-171.20000107.7D18 G22D18-V20 HydrophobicContact CB-CG2 4.3Å; D18-V20 PolarHBondContact O-N 3.48Å; V20-G22 PolarHBondContact O-N 3.22Å
21T49.2Very low54.2Low123 Ų123117.5 Ų117.576%0.75570%0.698SS**  trans-33.8131.9160.339.90000111.5A19 S23A19-T21 VanDerWaalsContact C-N 3.33Å; A19-T21 PolarHBondContact O-N 3.17Å; T21-S23 PolarHBondContact O-N 2.99Å
22G46.7Very low56.8Low84 Ų84113 Ų11387%0.86667%0.665SS**  trans-47.898-170.600000114.9V20 R24V20-G22 PolarHBondContact O-N 3.22Å; G22-R24 PolarHBondContact O-N 2.76Å
23S48.1Very low59.1Low85 Ų85104.8 Ų104.859%0.59463%0.63SS**  trans-78.1114.4164.522.10000107.6T21 V25T21-S23 PolarHBondContact O-N 2.99Å; S23-V25 PolarHBondContact O-N 3.45Å
24R57.3Low61.8Low199 Ų19998.5 Ų98.575%0.75160%0.6SS**  trans-58.7111.7167-74.2-177.1177.3-175.3-1.8107.7G22 Y26G22-R24 PolarHBondContact O-N 2.76Å; R24-Y26 HydrophobicContact CB-CE2 4.23Å; R24-Y26 WeakPolarHBondContact O-CD2 3.4Å; R24-Y26 WeakPolarHBondContact O-CE2 3.44Å; R24-Y26 PolarHBondContact O-N 2.84Å
25V55.7Low64.2Low137 Ų13789.7 Ų89.783%0.8357%0.565SS**  trans-74.1104.9172.2-1780000106.8S23S23-V25 PolarHBondContact O-N 3.45Å
26Y58.3Low66.8Low67 Ų6786.6 Ų86.626%0.26353%0.532SS..  trans-70.4150.4169.1-64-82.9000108.7R24 A28 V123 Y126R24-Y26 HydrophobicContact CB-CE2 4.23Å; R24-Y26 WeakPolarHBondContact O-CD2 3.4Å; R24-Y26 WeakPolarHBondContact O-CE2 3.44Å; R24-Y26 PolarHBondContact O-N 2.84Å; Y26-A28 PolarHBondContact O-N 2.8Å; Y26-V123 HydrophobicContact CD1-CG1 3.43Å; Y26-V123 VanDerWaalsContact CD1-CG1 3.43Å; Y26-V123 HydrophobicContact CD2-CG1 3.52Å; Y26-V123 HydrophobicContact CE1-CG1 3.53Å; Y26-V123 HydrophobicContact CE2-CG1 3.63Å; Y26-V123 HydrophobicContact CG-CG1 3.44Å; Y26-V123 VanDerWaalsContact CG-CG1 3.44Å; Y26-Y126 HydrophobicContact CD2-CD2 4.45Å; Y26-Y126 AromaticContact CE2-CD2 3.54Å; Y26-Y126 HydrophobicContact CE2-CD2 3.54Å; Y26-Y126 AromaticContact CE2-CE2 3.46Å; Y26-Y126 HydrophobicContact CE2-CE2 3.46Å; Y26-Y126 VanDerWaalsContact CE2-CE2 3.46Å; Y26-Y126 HydrophobicContact CE2-CG 4.43Å; Y26-Y126 AromaticContact CZ-CE2 3.57Å; Y26-Y126 WeakPolarHBondContact OH-CE2 3.39Å; Y26-Y126 PolarHBondContact OH-OH 3.13Å
27P62.8Low69Low73 Ų7382.9 Ų82.947%0.47451%0.514SS..  trans-51.8142174.5-18.929.1000109.5N29 E30P27-N29 PolarHBondContact O-N 2.81Å; P27-E30 HydrophobicContact CB-CG 4.4Å; P27-E30 HydrophobicContact CG-CG 4.2Å; P27-E30 PolarHBondContact O-N 2.83Å
28A62Low71.2Confident110 Ų11082.5 Ų82.591%0.90950%0.503SS*.THydrogen-bonded Turntrans-56.7-8.5-178.700000114.7Y26Y26-A28 PolarHBondContact O-N 2.8Å
29N69Low73.7Confident149 Ų14977.9 Ų77.980%0.79748%0.478SS*.THydrogen-bonded Turntrans-100.5-1.5179.5-62.8-18000113.9P27P27-N29 PolarHBondContact O-N 2.81Å
30E84Confident76Confident67 Ų6778.9 Ų78.931%0.31347%0.47SS..  trans-101.9130178.5-67.1-172.8-172.300111.8P27 G59 R61P27-E30 HydrophobicContact CB-CG 4.4Å; P27-E30 HydrophobicContact CG-CG 4.2Å; P27-E30 PolarHBondContact O-N 2.83Å; E30-G59 WeakPolarHBondContact CA-O 3.42Å; E30-R61 HydrophobicContact CG-CG 4.18Å; E30-R61 WeakPolarHBondContact OE2-CD 3.42Å; E30-R61 IonicContact OE2-CZ 3.85Å; E30-R61 IonicContact OE2-NE 3.84Å; E30-R61 IonicContact OE2-NH1 3.58Å; E30-R61 PolarHBondContact OE2-NH1 3.37Å
31G88Confident78.3Confident20 Ų2075.5 Ų75.521%0.20645%0.452CS..  trans-138.1173.8-178.100000112.6G59 N121 V123G31-G59 PolarHBondContact N-O 3.41Å; G31-G59 WeakPolarHBondContact O-CA 3.45Å; G31-N121 PolarHBondContact O-ND2 2.88Å; G31-V123 VanDerWaalsContact O-CG2 3.25Å; G31-V123 WeakPolarHBondContact O-CG2 3.42Å
32P91.3Very high80.6Confident34 Ų3474.8 Ų74.822%0.22144%0.443CS..PPolyproline II helixtrans-63153.916527-31.9000110.7Q132P32-Q132 HydrophobicContact CB-CG 4.12Å
33P94.1Very high83Confident4 Ų472.6 Ų72.63%0.02641%0.413CS..PPolyproline II helixtrans-71.1160.8175.533.6-34.7000110.7P55 N57 A119 S124 Q132P33-P55 HydrophobicContact CB-CB 4.43Å; P33-P55 HydrophobicContact CB-CG 4.28Å; P33-N57 CarbonylContact C-O 3.5Å; P33-N57 VanDerWaalsContact CA-O 3.27Å; P33-N57 WeakPolarHBondContact CA-O 3.31Å; P33-A119 HydrophobicContact CB-CB 4.13Å; P33-A119 HydrophobicContact CG-CB 3.7Å; P33-A119 VanDerWaalsContact CG-O 3.27Å; P33-A119 WeakPolarHBondContact CG-O 3.23Å; P33-S124 WeakPolarHBondContact CD-OG 3.24Å; P33-Q132 WeakPolarHBondContact O-CG 3.44Å
34S94.9Very high85.2Confident37 Ų3772.4 Ų72.426%0.25941%0.405SS..PPolyproline II helixtrans-73173.8165.767.90000111P55 Q56 N57 D131S34-P55 VanDerWaalsContact O-CB 3.25Å; S34-P55 WeakPolarHBondContact O-CB 3.37Å; S34-P55 VanDerWaalsContact O-CG 3.28Å; S34-P55 WeakPolarHBondContact O-CG 3.35Å; S34-P55 WeakPolarHBondContact OG-CB 3.17Å; S34-Q56 PolarHBondContact OG-N 3.41Å; S34-N57 PolarHBondContact N-O 3.09Å; S34-N57 PolarHBondContact OG-N 3.16Å; S34-N57 PolarHBondContact OG-O 2.93Å; S34-D131 CarbonylContact C-O 3.6Å
35A96.9Very high86.9Confident22 Ų2267.2 Ų67.218%0.18239%0.39CS..PPolyproline II helixtrans-57.2147.5171.800000112.2P55 D131 S133 V134A35-P55 WeakPolarHBondContact O-CA 3.42Å; A35-D131 WeakPolarHBondContact CB-O 3.4Å; A35-D131 PolarHBondContact N-O 3.07Å; A35-S133 WeakPolarHBondContact CB-O 3.46Å; A35-V134 HydrophobicContact CB-CB 4.39Å
36P97.4Very high88.8Confident4 Ų463.6 Ų63.63%0.02637%0.368CS..PPolyproline II helixtrans-55.4153.3165-18.827.7000111.9W52 Y66 I117 A119 V134P36-W52 HydrophobicContact CB-CB 4.26Å; P36-W52 HydrophobicContact CB-CG 4.14Å; P36-Y66 HydrophobicContact CB-CE1 4.48Å; P36-Y66 HydrophobicContact CG-CD1 4.09Å; P36-Y66 HydrophobicContact CG-CE1 4.09Å; P36-I117 HydrophobicContact CG-CB 4.41Å; P36-I117 HydrophobicContact CG-CG2 3.88Å; P36-A119 HydrophobicContact CG-CB 4.08Å; P36-V134 HydrophobicContact CB-CG1 3.95Å; P36-V134 HydrophobicContact CG-CG1 4.11Å; P36-V134 WeakPolarHBondContact O-CG1 3.11Å
37L97.6Very high90.6Very high71 Ų7161.4 Ų61.437%0.37236%0.362SS..EExtended strand (participates in β ladder)trans-106.9163.9-179.7-61.2178.2000111.3L39 S53 Q56L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 3.04Å; L37-S53 PolarHBondContact N-O 2.93Å; L37-S53 VanDerWaalsContact N-O 3.09Å; L37-S53 PolarHBondContact O-N 2.92Å; L37-Q56 HydrophobicContact CD1-CB 4.16Å
38N97.2Very high92.3Very high114 Ų11457.9 Ų57.961%0.6134%0.339SS*.EExtended strand (participates in β ladder)trans50.347.2170.5-53.1-38.4000113.5I40 S53N38-I40 PolarHBondContact O-N 3.46Å; N38-S53 PolarHBondContact ND2-OG 2.98Å
39L97.9Very high94Very high34 Ų3455 Ų5518%0.17831%0.309CS..EExtended strand (participates in β ladder)trans-67.4115.9176.5177.761.7000109.8L37 L50 W52 I117 V134 V136L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 3.04Å; L39-L50 HydrophobicContact CD1-CB 4.47Å; L39-L50 HydrophobicContact CD1-CD2 4.45Å; L39-W52 HydrophobicContact CD1-CB 4.23Å; L39-W52 HydrophobicContact CD1-CE3 4.28Å; L39-I117 HydrophobicContact CD1-CD1 3.72Å; L39-I117 HydrophobicContact CD1-CG1 3.98Å; L39-I117 HydrophobicContact CD2-CD1 3.56Å; L39-I117 HydrophobicContact CD2-CG1 4.46Å; L39-I117 HydrophobicContact CG-CD1 4.31Å; L39-V134 HydrophobicContact CB-CG1 4.09Å; L39-V134 HydrophobicContact CB-CG2 4.28Å; L39-V134 HydrophobicContact CD2-CG1 4.02Å; L39-V134 HydrophobicContact CD2-CG2 4.23Å; L39-V136 HydrophobicContact CD2-CB 3.68Å; L39-V136 HydrophobicContact CD2-CG1 3.7Å; L39-V136 HydrophobicContact CG-CB 4.28Å; L39-V136 HydrophobicContact CG-CG1 4.22Å
40I97.6Very high95.4Very high111 Ų11148 Ų4857%0.56927%0.271SS*.EExtended strand (participates in β ladder)trans-114.4141177.6-60.7168.2000108.2N38 L50 E51N38-I40 PolarHBondContact O-N 3.46Å; I40-L50 WeakPolarHBondContact O-CA 3.36Å; I40-E51 PolarHBondContact N-O 3.15Å; I40-E51 PolarHBondContact O-N 3.21Å
41S97.5Very high96.1Very high41 Ų4150 Ų5029%0.28728%0.281SS..EExtended strand (participates in β ladder)trans-123.3136175.763.20000110.5N49 V138S41-N49 WeakPolarHBondContact CA-O 3.31Å; S41-V138 VanDerWaalsContact OG-CG1 3.29Å; S41-V138 WeakPolarHBondContact OG-CG1 3.44Å
42N97.6Very high96.6Very high108 Ų10849.4 Ų49.458%0.57827%0.272SS*.EExtended strand (participates in β ladder)trans-121.3122.4171.6-177.3-49.6000108.1V48 N49N42-V48 CarbonylContact O-C 3.56Å; N42-V48 WeakPolarHBondContact O-CA 3.24Å; N42-N49 HydrophobicContact CB-CB 4.35Å; N42-N49 PolarHBondContact N-O 3.05Å; N42-N49 PolarHBondContact O-N 3.28Å
43V96.9Very high97Very high37 Ų3750 Ų5022%0.22428%0.277CS..EExtended strand (participates in β ladder)trans-115.4136.3-165.2-176.50000110.2V48 V138 T139 T140 N141V43-V48 HydrophobicContact CG1-CG2 4.22Å; V43-V48 HydrophobicContact CG2-CG2 4.31Å; V43-V138 HydrophobicContact CG2-CB 3.78Å; V43-V138 HydrophobicContact CG2-CG1 3.87Å; V43-V138 HydrophobicContact CG2-CG2 4.27Å; V43-T139 WeakPolarHBondContact CG1-O 3.27Å; V43-T140 HydrophobicContact CG1-CG2 4.42Å; V43-N141 PolarHBondContact O-ND2 3.43Å
44N94.9Very high97.1Very high81 Ų8152.7 Ų52.743%0.43330%0.296SS..  trans-120.2-171171.8-157.9-4.7000110.2S47 N141N44-S47 WeakPolarHBondContact CB-OG 3.49Å; N44-S47 PolarHBondContact N-O 2.91Å; N44-N141 PolarHBondContact O-N 2.86Å; N44-N141 VanDerWaalsContact O-N 3.07Å
45E93.5Very high97.1Very high91 Ų9151.3 Ų51.343%0.42529%0.286SS..SBendtrans-57.4-48.7178.5-63.3178.3-162.600112.9A109 T140 N141 A143E45-A109 VanDerWaalsContact O-CA 3.31Å; E45-A109 WeakPolarHBondContact O-CA 3.36Å; E45-T140 WeakPolarHBondContact O-CB 3.32Å; E45-N141 HydrophobicContact CG-CB 4.26Å; E45-A143 HydrophobicContact CB-CB 4.21Å; E45-A143 HydrophobicContact CG-CB 4.41Å; E45-A143 WeakPolarHBondContact OE2-CB 3.37Å
46T94.9Very high97Very high61 Ų6158.4 Ų58.437%0.37432%0.315SS..SBendtrans-131.412.3-175.357.30000112.6D106 L107T46-D106 PolarHBondContact O-N 2.99Å; T46-D106 VanDerWaalsContact O-N 3.15Å; T46-L107 VanDerWaalsContact CB-O 3.24Å; T46-L107 WeakPolarHBondContact CB-O 3.28Å; T46-L107 VanDerWaalsContact CG2-O 3.31Å; T46-L107 WeakPolarHBondContact CG2-O 3.09Å; T46-L107 WeakPolarHBondContact O-CB 3.27Å; T46-L107 PolarHBondContact O-N 2.82Å
47S96.9Very high96.8Very high20 Ų2062.8 Ų62.814%0.1434%0.339CS..  trans-140.4152.2-178.664.10000113.1N44 I104N44-S47 WeakPolarHBondContact CB-OG 3.49Å; N44-S47 PolarHBondContact N-O 2.91Å; S47-I104 CarbonylContact C-O 3.59Å; S47-I104 WeakPolarHBondContact CA-O 3.32Å; S47-I104 VanDerWaalsContact CB-O 3.23Å; S47-I104 WeakPolarHBondContact CB-O 3.45Å
48V98.3Very high96.5Very high0 Ų061.5 Ų61.50%033%0.334CS..EExtended strand (participates in β ladder)trans-134.2126.5176.3177.20000108N42 V43 L50 I104 L107 F115 V138 T140N42-V48 CarbonylContact O-C 3.56Å; N42-V48 WeakPolarHBondContact O-CA 3.24Å; V43-V48 HydrophobicContact CG1-CG2 4.22Å; V43-V48 HydrophobicContact CG2-CG2 4.31Å; V48-L50 HydrophobicContact CG1-CD2 3.78Å; V48-L50 HydrophobicContact CG1-CG 4.07Å; V48-I104 PolarHBondContact N-O 2.89Å; V48-I104 VanDerWaalsContact O-CD1 3.28Å; V48-I104 WeakPolarHBondContact O-CD1 3.25Å; V48-I104 PolarHBondContact O-N 2.82Å; V48-L107 HydrophobicContact CB-CD1 4.06Å; V48-L107 HydrophobicContact CG2-CD1 3.56Å; V48-F115 HydrophobicContact CB-CE2 4.11Å; V48-F115 HydrophobicContact CB-CZ 4.28Å; V48-F115 HydrophobicContact CG1-CD2 4.41Å; V48-F115 HydrophobicContact CG1-CE2 4.01Å; V48-F115 HydrophobicContact CG2-CE2 4.01Å; V48-F115 HydrophobicContact CG2-CZ 4.34Å; V48-V138 HydrophobicContact CG1-CG2 4.39Å; V48-V138 HydrophobicContact CG2-CG2 3.97Å; V48-T140 HydrophobicContact CG2-CG2 4.34Å
49N98.4Very high96.1Very high49 Ų4956.4 Ų56.426%0.26231%0.308SS..EExtended strand (participates in β ladder)trans-100.7125170.3-63.5-54000108.6S41 N42 S103S41-N49 WeakPolarHBondContact CA-O 3.31Å; N42-N49 HydrophobicContact CB-CB 4.35Å; N42-N49 PolarHBondContact N-O 3.05Å; N42-N49 PolarHBondContact O-N 3.28Å; N49-S103 VanDerWaalsContact OD1-CB 3.24Å; N49-S103 WeakPolarHBondContact OD1-CB 3.39Å; N49-S103 PolarHBondContact OD1-OG 2.85Å
50L98.5Very high95.5Very high3 Ų357.6 Ų57.62%0.01633%0.329CS..EExtended strand (participates in β ladder)trans-110.4137.7176.9-60.6174000109.5L39 I40 V48 W52 V68 R101 V102 I104 F115 I117 V136L39-L50 HydrophobicContact CD1-CB 4.47Å; L39-L50 HydrophobicContact CD1-CD2 4.45Å; I40-L50 WeakPolarHBondContact O-CA 3.36Å; V48-L50 HydrophobicContact CG1-CD2 3.78Å; V48-L50 HydrophobicContact CG1-CG 4.07Å; L50-W52 HydrophobicContact CB-CE3 4.3Å; L50-W52 HydrophobicContact CB-CZ3 3.98Å; L50-V68 HydrophobicContact CD1-CG1 4.41Å; L50-R101 VanDerWaalsContact O-CA 3.26Å; L50-R101 WeakPolarHBondContact O-CA 3.39Å; L50-V102 HydrophobicContact CB-CG1 3.92Å; L50-V102 HydrophobicContact CD1-CG1 4.15Å; L50-V102 HydrophobicContact CG-CG1 4.42Å; L50-V102 PolarHBondContact N-O 3.36Å; L50-V102 PolarHBondContact O-N 3.03Å; L50-I104 HydrophobicContact CB-CD1 4.5Å; L50-I104 HydrophobicContact CD1-CD1 3.64Å; L50-I104 HydrophobicContact CG-CD1 3.82Å; L50-F115 HydrophobicContact CD1-CB 3.65Å; L50-F115 HydrophobicContact CD1-CD1 4.08Å; L50-F115 HydrophobicContact CD1-CD2 4.37Å; L50-F115 HydrophobicContact CD1-CG 3.79Å; L50-I117 HydrophobicContact CD1-CD1 4.03Å; L50-V136 HydrophobicContact CD2-CG1 3.88Å
51E98.4Very high95.1Very high109 Ų10953.8 Ų53.851%0.50931%0.307SS..EExtended strand (participates in β ladder)trans-137.4140.5174.5-171.5168.5170.900109.4I40 T100I40-E51 PolarHBondContact N-O 3.15Å; I40-E51 PolarHBondContact O-N 3.21Å; E51-T100 WeakPolarHBondContact CA-O 3.13Å
52W98.4Very high94.8Very high6 Ų661.2 Ų61.22%0.02334%0.337CS..EExtended strand (participates in β ladder)trans-144176.1179.958.592.5000111P36 L39 L50 Y66 V68 L97 T100 V102 I117P36-W52 HydrophobicContact CB-CB 4.26Å; P36-W52 HydrophobicContact CB-CG 4.14Å; L39-W52 HydrophobicContact CD1-CB 4.23Å; L39-W52 HydrophobicContact CD1-CE3 4.28Å; L50-W52 HydrophobicContact CB-CE3 4.3Å; L50-W52 HydrophobicContact CB-CZ3 3.98Å; W52-Y66 AromaticContact CD1-CE1 3.91Å; W52-Y66 AromaticContact CE2-CG 3.85Å; W52-Y66 HydrophobicContact CZ2-CD1 4.43Å; W52-Y66 HydrophobicContact CZ2-CD2 4.04Å; W52-Y66 AromaticContact CZ2-CG 3.79Å; W52-Y66 HydrophobicContact CZ2-CG 3.79Å; W52-Y66 AromaticContact NE1-CD1 3.27Å; W52-Y66 VanDerWaalsContact NE1-CD1 3.27Å; W52-Y66 AromaticContact NE1-CD2 3.57Å; W52-Y66 AromaticContact NE1-CE1 3.39Å; W52-Y66 AromaticContact NE1-CE2 3.7Å; W52-Y66 AromaticContact NE1-CG 3.36Å; W52-Y66 AromaticContact NE1-CZ 3.62Å; W52-V68 HydrophobicContact CH2-CG2 4.45Å; W52-L97 HydrophobicContact CH2-CD2 4.24Å; W52-T100 PolarHBondContact N-O 2.93Å; W52-T100 WeakPolarHBondContact O-CB 3.43Å; W52-T100 PolarHBondContact O-OG1 2.03Å; W52-V102 HydrophobicContact CH2-CB 4.27Å; W52-V102 HydrophobicContact CH2-CG1 4.04Å; W52-V102 HydrophobicContact CZ3-CB 4.47Å; W52-V102 HydrophobicContact CZ3-CG1 3.9Å; W52-I117 HydrophobicContact CD2-CG2 3.84Å; W52-I117 HydrophobicContact CE3-CG1 4.1Å; W52-I117 HydrophobicContact CE3-CG2 4.19Å; W52-I117 HydrophobicContact CG-CG2 4.33Å; W52-I117 HydrophobicContact CH2-CG2 4.31Å; W52-I117 HydrophobicContact CZ2-CG2 3.96Å; W52-I117 HydrophobicContact CZ3-CG1 4.23Å; W52-I117 HydrophobicContact CZ3-CG2 4.42Å
53S98.1Very high94.6Very high47 Ų4759.1 Ų59.133%0.32933%0.326SS..EExtended strand (participates in β ladder)trans-112.5158.3173.8-63.40000110.6L37 N38L37-S53 PolarHBondContact N-O 2.93Å; L37-S53 VanDerWaalsContact N-O 3.09Å; L37-S53 PolarHBondContact O-N 2.92Å; N38-S53 PolarHBondContact ND2-OG 2.98Å
54S96.1Very high94.5Very high61 Ų6158.4 Ų58.443%0.42732%0.321SS..  trans-55.4147.1176.8-176.80000111.7
55P96.1Very high94.6Very high7 Ų755.4 Ų55.45%0.04531%0.306CS..  trans-53.3148.6170.3-27.936000112.8P33 S34 A35 N57 Y66 A119P33-P55 HydrophobicContact CB-CB 4.43Å; P33-P55 HydrophobicContact CB-CG 4.28Å; S34-P55 VanDerWaalsContact O-CB 3.25Å; S34-P55 WeakPolarHBondContact O-CB 3.37Å; S34-P55 VanDerWaalsContact O-CG 3.28Å; S34-P55 WeakPolarHBondContact O-CG 3.35Å; S34-P55 WeakPolarHBondContact OG-CB 3.17Å; A35-P55 WeakPolarHBondContact O-CA 3.42Å; P55-N57 VanDerWaalsContact C-N 3.32Å; P55-Y66 WeakPolarHBondContact CD-OH 3.32Å; P55-Y66 HydrophobicContact CG-CE1 4.45Å; P55-A119 HydrophobicContact CG-CB 3.58Å
56Q94.6Very high94.8Very high171 Ų17151.7 Ų51.780%0.79929%0.288SS*.SBendtrans-63.6-39.7173.7-170.5176.23.800111.8S34 L37S34-Q56 PolarHBondContact OG-N 3.41Å; L37-Q56 HydrophobicContact CD1-CB 4.16Å
57N92.8Very high94.9Very high96 Ų9650.8 Ų50.851%0.51328%0.281SS..  trans-118.9121.9177.2-173.7-5.9000109.5P33 S34 P55 G59P33-N57 CarbonylContact C-O 3.5Å; P33-N57 VanDerWaalsContact CA-O 3.27Å; P33-N57 WeakPolarHBondContact CA-O 3.31Å; S34-N57 PolarHBondContact N-O 3.09Å; S34-N57 PolarHBondContact OG-N 3.16Å; S34-N57 PolarHBondContact OG-O 2.93Å; P55-N57 VanDerWaalsContact C-N 3.32Å; N57-G59 VanDerWaalsContact C-N 3.31Å; N57-G59 PolarHBondContact OD1-N 3.47Å
58T91.8Very high94.9Very high45 Ų4549.9 Ų49.928%0.27628%0.275SS..  trans-87.9-2.6179.166.80000113.6G60 R61 I64 N121T58-G60 VanDerWaalsContact C-N 3.29Å; T58-R61 VanDerWaalsContact CB-O 3.26Å; T58-R61 WeakPolarHBondContact CB-O 3.34Å; T58-R61 PolarHBondContact OG1-O 2.88Å; T58-R61 VanDerWaalsContact OG1-O 3.11Å; T58-I64 HydrophobicContact CG2-CD1 3.26Å; T58-N121 PolarHBondContact O-ND2 3.15Å
59G88Confident94.8Very high6 Ų652.3 Ų52.36%0.06229%0.29CS..THydrogen-bonded Turntrans69.828.1-173.400000112.7E30 G31 N57 R61E30-G59 WeakPolarHBondContact CA-O 3.42Å; G31-G59 PolarHBondContact N-O 3.41Å; G31-G59 WeakPolarHBondContact O-CA 3.45Å; N57-G59 VanDerWaalsContact C-N 3.31Å; N57-G59 PolarHBondContact OD1-N 3.47Å; G59-R61 VanDerWaalsContact C-N 3.31Å; G59-R61 PolarHBondContact O-N 2.85Å
60G87Confident94.7Very high59 Ų5950.3 Ų50.361%0.60828%0.279SS*.THydrogen-bonded Turntrans79.57176.900000114.9T58T58-G60 VanDerWaalsContact C-N 3.29Å
61R88.4Confident94.5Very high31 Ų3153.2 Ų53.212%0.11729%0.292CS..  trans-124.3162-178.7-64.2-140.5-63.2-76.8-12.6114.3E30 T58 G59 D63 N121 G122E30-R61 HydrophobicContact CG-CG 4.18Å; E30-R61 WeakPolarHBondContact OE2-CD 3.42Å; E30-R61 IonicContact OE2-CZ 3.85Å; E30-R61 IonicContact OE2-NE 3.84Å; E30-R61 IonicContact OE2-NH1 3.58Å; E30-R61 PolarHBondContact OE2-NH1 3.37Å; T58-R61 VanDerWaalsContact CB-O 3.26Å; T58-R61 WeakPolarHBondContact CB-O 3.34Å; T58-R61 PolarHBondContact OG1-O 2.88Å; T58-R61 VanDerWaalsContact OG1-O 3.11Å; G59-R61 VanDerWaalsContact C-N 3.31Å; G59-R61 PolarHBondContact O-N 2.85Å; R61-D63 WeakPolarHBondContact CB-OD1 3.49Å; R61-D63 IonicContact CZ-OD1 3.72Å; R61-D63 IonicContact NE-OD1 3.96Å; R61-D63 PolarHBondContact NE-OD1 2.65Å; R61-D63 IonicContact NE-OD2 2.92Å; R61-D63 IonicContact NH2-OD1 2.74Å; R61-D63 IonicContact NH2-OD2 3.81Å; R61-N121 PolarHBondContact NH2-OD1 2.94Å; R61-G122 VanDerWaalsContact NH2-C 3.27Å; R61-G122 VanDerWaalsContact NH2-CA 3.29Å
62Q90.4Very high94.2Very high197 Ų19752.1 Ų52.192%0.92129%0.285SS*.SBendtrans-110.8-4.6-178.3-62.1-177.7-2.400112.7I64Q62-I64 PolarHBondContact O-N 2.86Å
63D93.6Very high93.6Very high65 Ų6552.3 Ų52.335%0.34829%0.288SS..  trans-79.824.7-179.167.8-40.6000113.3R61 K98 G122R61-D63 WeakPolarHBondContact CB-OD1 3.49Å; R61-D63 IonicContact CZ-OD1 3.72Å; R61-D63 IonicContact NE-OD1 3.96Å; R61-D63 PolarHBondContact NE-OD1 2.65Å; R61-D63 IonicContact NE-OD2 2.92Å; R61-D63 IonicContact NH2-OD1 2.74Å; R61-D63 IonicContact NH2-OD2 3.81Å; D63-K98 PolarHBondContact O-NZ 2.83Å; D63-G122 WeakPolarHBondContact OD2-CA 3.36Å; D63-G122 PolarHBondContact OD2-N 3.19Å
64I94.8Very high92.5Very high22 Ų2251.9 Ų51.911%0.11329%0.291CS..  trans-63.7140.5-176.7-57.5166.5000110.4T58 Q62 Y66 K98 V120T58-I64 HydrophobicContact CG2-CD1 3.26Å; Q62-I64 PolarHBondContact O-N 2.86Å; I64-Y66 HydrophobicContact CG2-CE1 4.28Å; I64-K98 WeakPolarHBondContact O-CD 3.46Å; I64-K98 PolarHBondContact O-NZ 2.79Å; I64-V120 CarbonylContact C-O 3.59Å; I64-V120 WeakPolarHBondContact CA-O 3.42Å
65S97.1Very high91Very high18 Ų1854 Ų5413%0.12631%0.311CS..EExtended strand (participates in β ladder)trans-141.5167.3165.943.70000110.1L97 V120S65-L97 CarbonylContact C-O 3.59Å; S65-L97 WeakPolarHBondContact CA-O 3.27Å; S65-L97 WeakPolarHBondContact CB-O 3.46Å; S65-V120 PolarHBondContact N-O 3.43Å; S65-V120 WeakPolarHBondContact O-CG2 3.27Å; S65-V120 PolarHBondContact O-N 2.83Å; S65-V120 WeakPolarHBondContact OG-CG2 3.45Å
66Y97.9Very high89.4Confident12 Ų1257.3 Ų57.35%0.04735%0.347CS..EExtended strand (participates in β ladder)trans-117.1143.6-179.9-51.2-83.2000111.6P36 W52 P55 I64 G96 L97 T100 I117 W118 A119P36-Y66 HydrophobicContact CB-CE1 4.48Å; P36-Y66 HydrophobicContact CG-CD1 4.09Å; P36-Y66 HydrophobicContact CG-CE1 4.09Å; W52-Y66 AromaticContact CD1-CE1 3.91Å; W52-Y66 AromaticContact CE2-CG 3.85Å; W52-Y66 HydrophobicContact CZ2-CD1 4.43Å; W52-Y66 HydrophobicContact CZ2-CD2 4.04Å; W52-Y66 AromaticContact CZ2-CG 3.79Å; W52-Y66 HydrophobicContact CZ2-CG 3.79Å; W52-Y66 AromaticContact NE1-CD1 3.27Å; W52-Y66 VanDerWaalsContact NE1-CD1 3.27Å; W52-Y66 AromaticContact NE1-CD2 3.57Å; W52-Y66 AromaticContact NE1-CE1 3.39Å; W52-Y66 AromaticContact NE1-CE2 3.7Å; W52-Y66 AromaticContact NE1-CG 3.36Å; W52-Y66 AromaticContact NE1-CZ 3.62Å; P55-Y66 WeakPolarHBondContact CD-OH 3.32Å; P55-Y66 HydrophobicContact CG-CE1 4.45Å; I64-Y66 HydrophobicContact CG2-CE1 4.28Å; Y66-G96 PolarHBondContact O-N 2.88Å; Y66-G96 VanDerWaalsContact O-N 3.11Å; Y66-L97 WeakPolarHBondContact CD2-O 3.37Å; Y66-L97 PolarHBondContact N-O 2.84Å; Y66-L97 VanDerWaalsContact O-CD1 3.25Å; Y66-L97 WeakPolarHBondContact O-CD1 3.12Å; Y66-L97 PolarHBondContact O-N 2.92Å; Y66-T100 HydrophobicContact CE2-CG2 3.88Å; Y66-I117 HydrophobicContact CD1-CG2 4.32Å; Y66-W118 CarbonylContact C-O 3.32Å; Y66-W118 WeakPolarHBondContact CA-O 3.23Å; Y66-A119 HydrophobicContact CD1-CB 4.18Å; Y66-A119 HydrophobicContact CE1-CB 4.06Å
67N97.3Very high88Confident43 Ų4351.6 Ų51.623%0.2332%0.322CS..EExtended strand (participates in β ladder)trans-122.1141.6172-62.6-23.1000109.4N95 G96 W118N67-N95 WeakPolarHBondContact CB-OD1 3.37Å; N67-N95 WeakPolarHBondContact OD1-CA 3.44Å; N67-G96 PolarHBondContact OD1-N 2.87Å; N67-W118 HydrophobicContact CB-CB 4.32Å; N67-W118 PolarHBondContact N-O 3.18Å; N67-W118 PolarHBondContact O-N 3.17Å
68V97.7Very high86.7Confident0 Ų052.3 Ų52.30%033%0.332CS..EExtended strand (participates in β ladder)trans-112.3120.4-178-175.70000109.7L50 W52 Y90 Q94 L97 V102 F115L50-V68 HydrophobicContact CD1-CG1 4.41Å; W52-V68 HydrophobicContact CH2-CG2 4.45Å; V68-Y90 HydrophobicContact CG1-CD1 4.5Å; V68-Y90 HydrophobicContact CG1-CE1 4.12Å; V68-Q94 HydrophobicContact CB-CG 4.43Å; V68-Q94 PolarHBondContact N-O 2.8Å; V68-Q94 VanDerWaalsContact O-CG 3.3Å; V68-Q94 WeakPolarHBondContact O-CG 3.49Å; V68-Q94 PolarHBondContact O-NE2 3.11Å; V68-L97 HydrophobicContact CG2-CD1 4.43Å; V68-V102 HydrophobicContact CG2-CG1 3.88Å; V68-F115 HydrophobicContact CG1-CD1 4.29Å
69V95.8Very high85.7Confident52 Ų5254.9 Ų54.932%0.31535%0.351SS..EExtended strand (participates in β ladder)trans-103.5123.5174.31790000108.4K71 F115 E116V69-K71 HydrophobicContact CG1-CG 4.39Å; V69-F115 CarbonylContact O-C 3.54Å; V69-F115 WeakPolarHBondContact O-CA 3.47Å; V69-E116 HydrophobicContact CB-CB 4.19Å; V69-E116 PolarHBondContact N-O 2.8Å; V69-E116 PolarHBondContact O-N 2.99Å
70C96.1Very high85.3Confident6 Ų661.6 Ų61.64%0.04138%0.379CS..EExtended strand (participates in β ladder)trans-106.6130.1178-179.80000110.1C84 Y90 F115C70-C84 HydrophobicContact CB-CB 3.58Å; C70-C84 WeakPolarHBondContact CB-SG 3.31Å; C70-C84 PolarHBondContact O-N 2.02Å; C70-C84 PolarHBondContact O-SG 3.38Å; C70-C84 VanDerWaalsContact O-SG 3.38Å; C70-C84 WeakPolarHBondContact SG-CB 3.45Å; C70-C84 CovalentContact SG-SG 2.02Å; C70-C84 PolarHBondContact SG-SG 3Å; C70-Y90 WeakPolarHBondContact CB-OH 3.29Å; C70-F115 HydrophobicContact CB-CD1 4.02Å; C70-F115 HydrophobicContact CB-CE1 3.85Å; C70-F115 WeakPolarHBondContact SG-CE1 3.33Å
71K94.4Very high85.3Confident65 Ų6560.7 Ų60.728%0.28336%0.363SS..EExtended strand (participates in β ladder)trans-126.3128.9176.8-69.3176.9-176.4172.90109.5V69 C81 R82 C84 Y113 T114 E116V69-K71 HydrophobicContact CG1-CG 4.39Å; K71-C81 HydrophobicContact CB-CB 4.08Å; K71-C81 HydrophobicContact CD-CB 4.35Å; K71-R82 CarbonylContact C-O 3.53Å; K71-R82 VanDerWaalsContact CA-O 3.31Å; K71-R82 WeakPolarHBondContact CA-O 3.04Å; K71-C84 PolarHBondContact N-SG 2.84Å; K71-Y113 CarbonylContact O-C 3.49Å; K71-Y113 VanDerWaalsContact O-CA 3.28Å; K71-Y113 WeakPolarHBondContact O-CA 3.24Å; K71-T114 PolarHBondContact N-O 2.55Å; K71-T114 PolarHBondContact O-N 2.69Å; K71-E116 WeakPolarHBondContact CE-OE1 3.42Å; K71-E116 IonicContact NZ-OE1 2.64Å; K71-E116 PolarHBondContact NZ-OE1 2.82Å; K71-E116 IonicContact NZ-OE2 3.46Å; K71-E116 PolarHBondContact NZ-OE2 3.07Å
72K92.6Very high85.5Confident86 Ų8668.4 Ų68.437%0.37439%0.392SS..EExtended strand (participates in β ladder)trans-93.3117.9169.2-176.3-176.7175.2-178.50108.2C81 R82 T111 Y113K72-C81 WeakPolarHBondContact O-CA 3.21Å; K72-R82 PolarHBondContact N-O 2.94Å; K72-R82 PolarHBondContact O-N 2.95Å; K72-T111 HydrophobicContact CD-CG2 4Å; K72-T111 VanDerWaalsContact CE-CG2 3.42Å; K72-T111 HydrophobicContact CG-CG2 3.79Å; K72-Y113 HydrophobicContact CB-CD1 4.09Å; K72-Y113 HydrophobicContact CB-CE1 3.83Å; K72-Y113 HydrophobicContact CG-CD1 4.5Å; K72-Y113 HydrophobicContact CG-CE1 4.08Å
73C86.2Confident85.6Confident10 Ų1064.3 Ų64.37%0.06838%0.382CS..EExtended strand (participates in β ladder)trans-105.1141.6-179.4-52.60000109.7C81 N112C73-C81 HydrophobicContact CB-CB 4.17Å; C73-C81 WeakPolarHBondContact CB-SG 3.06Å; C73-C81 WeakPolarHBondContact SG-CB 3Å; C73-C81 CovalentContact SG-SG 2.03Å; C73-C81 PolarHBondContact SG-SG 3.39Å; C73-N112 PolarHBondContact N-O 3.46Å
74G74.6Confident85.6Confident38 Ų3862.4 Ų62.439%0.39237%0.374SS..EExtended strand (participates in β ladder)trans-63.5155.417500000111.5G76 D77G74-G76 PolarHBondContact O-N 3.44Å; G74-D77 PolarHBondContact O-N 3.5Å
75A65.1Low85.2Confident104 Ų10464 Ų6486%0.8640%0.397SS*.THydrogen-bonded Turntrans-56.3111.3173.700000109.6
76G61Low84.7Confident77 Ų7769.2 Ų69.279%0.79443%0.433SS*.THydrogen-bonded Turntrans90.7-0.1172.500000117.6G74G74-G76 PolarHBondContact O-N 3.44Å
77D64.9Low84.3Confident51 Ų5171 Ų7127%0.27346%0.455SS..EExtended strand (participates in β ladder)trans-13699.9-179.2-167.8-5.5000113.5G74 S79 K80G74-D77 PolarHBondContact O-N 3.5Å; D77-S79 PolarHBondContact O-N 2.97Å; D77-S79 WeakPolarHBondContact OD1-CA 3.39Å; D77-S79 VanDerWaalsContact OD1-CB 3.27Å; D77-S79 WeakPolarHBondContact OD1-CB 3.31Å; D77-S79 PolarHBondContact OD1-N 2.76Å; D77-S79 PolarHBondContact OD1-OG 3.38Å; D77-S79 PolarHBondContact OD2-OG 3.03Å; D77-K80 PolarHBondContact O-N 3.39Å; D77-K80 WeakPolarHBondContact OD2-CD 3.33Å; D77-K80 VanDerWaalsContact OD2-CE 3.31Å; D77-K80 WeakPolarHBondContact OD2-CE 3.3Å; D77-K80 WeakPolarHBondContact OD2-CG 3.33Å; D77-K80 IonicContact OD2-NZ 3.95Å
78P65.4Low84.2Confident112 Ų11269.8 Ų69.873%0.72745%0.449SS*.EExtended strand (participates in β ladder)trans-63.5-16.2174.1-18.130.5000113.9K80 C81P78-K80 VanDerWaalsContact C-N 3.33Å; P78-C81 PolarHBondContact O-SG 3.42Å
79S71.2Confident84.2Confident98 Ų9875 Ų7569%0.68547%0.473SS*.EExtended strand (participates in β ladder)trans-81.5-14.8179.3750000113D77D77-S79 PolarHBondContact O-N 2.97Å; D77-S79 WeakPolarHBondContact OD1-CA 3.39Å; D77-S79 VanDerWaalsContact OD1-CB 3.27Å; D77-S79 WeakPolarHBondContact OD1-CB 3.31Å; D77-S79 PolarHBondContact OD1-N 2.76Å; D77-S79 PolarHBondContact OD1-OG 3.38Å; D77-S79 PolarHBondContact OD2-OG 3.03Å
80K79Confident84.2Confident147 Ų14774.1 Ų74.164%0.63946%0.464SS*.EExtended strand (participates in β ladder)trans-106.742.8179.3-67-179.3-171.9173.20112.6D77 P78D77-K80 PolarHBondContact O-N 3.39Å; D77-K80 WeakPolarHBondContact OD2-CD 3.33Å; D77-K80 VanDerWaalsContact OD2-CE 3.31Å; D77-K80 WeakPolarHBondContact OD2-CE 3.3Å; D77-K80 WeakPolarHBondContact OD2-CG 3.33Å; D77-K80 IonicContact OD2-NZ 3.95Å; P78-K80 VanDerWaalsContact C-N 3.33Å
81C88.6Confident84.3Confident40 Ų4078 Ų7827%0.2749%0.488SS..EExtended strand (participates in β ladder)trans-82.8129.5174.7-610000111K71 K72 C73 P78K71-C81 HydrophobicContact CB-CB 4.08Å; K71-C81 HydrophobicContact CD-CB 4.35Å; K72-C81 WeakPolarHBondContact O-CA 3.21Å; C73-C81 HydrophobicContact CB-CB 4.17Å; C73-C81 WeakPolarHBondContact CB-SG 3.06Å; C73-C81 WeakPolarHBondContact SG-CB 3Å; C73-C81 CovalentContact SG-SG 2.03Å; C73-C81 PolarHBondContact SG-SG 3.39Å; P78-C81 PolarHBondContact O-SG 3.42Å
82R91.7Very high84.5Confident193 Ų19378.9 Ų78.973%0.72850%0.5SS*.EExtended strand (participates in β ladder)trans-108.8147.4173.5-67.3-177.9178.3176.5-0.4109.8K71 K72 C84K71-R82 CarbonylContact C-O 3.53Å; K71-R82 VanDerWaalsContact CA-O 3.31Å; K71-R82 WeakPolarHBondContact CA-O 3.04Å; K72-R82 PolarHBondContact N-O 2.94Å; K72-R82 PolarHBondContact O-N 2.95Å; R82-C84 PolarHBondContact O-N 3.48Å
83P93.4Very high84.7Confident111 Ų11179.2 Ų79.272%0.72150%0.503SS*.EExtended strand (participates in β ladder)trans-57.3143.5172.625.8-33.5000110
84C92.5Very high85.2Confident25 Ų2582.1 Ų82.117%0.16952%0.515CS..PPolyproline II helixtrans-61.6139.6173.3-60.70000109.9C70 K71 R82 V88C70-C84 HydrophobicContact CB-CB 3.58Å; C70-C84 WeakPolarHBondContact CB-SG 3.31Å; C70-C84 PolarHBondContact O-N 2.02Å; C70-C84 PolarHBondContact O-SG 3.38Å; C70-C84 VanDerWaalsContact O-SG 3.38Å; C70-C84 WeakPolarHBondContact SG-CB 3.45Å; C70-C84 CovalentContact SG-SG 2.02Å; C70-C84 PolarHBondContact SG-SG 3Å; K71-C84 PolarHBondContact N-SG 2.84Å; R82-C84 PolarHBondContact O-N 3.48Å; C84-V88 HydrophobicContact CB-CG2 4.08Å
85G87.3Confident86.3Confident57 Ų5784.3 Ų84.359%0.58852%0.518SS*.PPolyproline II helixtrans-71.7173.5178.600000112.6G87 V88G85-G87 PolarHBondContact O-N 2.62Å; G85-V88 PolarHBondContact O-N 3.04Å
86S85.4Confident87.8Confident127 Ų12780.7 Ų80.789%0.88849%0.491SS*.THydrogen-bonded Turntrans-67.6-2.8-179.158.70000115.2V88S86-V88 VanDerWaalsContact C-N 3.28Å
87G89.3Confident89.5Confident49 Ų4977 Ų7751%0.50545%0.453SS..THydrogen-bonded Turntrans-81.3-3.4177.100000114.4G85 D106G85-G87 PolarHBondContact O-N 2.62Å; G87-D106 VanDerWaalsContact O-CB 3.27Å; G87-D106 WeakPolarHBondContact O-CB 3.34Å
88V95.6Very high91Very high17 Ų1781 Ų8110%0.10347%0.468CS..  trans-94131.9178.8179.20000109.7C84 G85 S86 Y90 I104 L107C84-V88 HydrophobicContact CB-CG2 4.08Å; G85-V88 PolarHBondContact O-N 3.04Å; S86-V88 VanDerWaalsContact C-N 3.28Å; V88-Y90 HydrophobicContact CB-CE2 4.3Å; V88-Y90 HydrophobicContact CG1-CE2 3.89Å; V88-I104 HydrophobicContact CG1-CG2 3.25Å; V88-L107 HydrophobicContact CG1-CD2 3.87Å; V88-L107 HydrophobicContact CG2-CD2 3.9Å
89H97.3Very high92.5Very high110 Ų11079.1 Ų79.151%0.50946%0.455SS..EExtended strand (participates in β ladder)trans-106.9141-179.1-70.5-82.7000111.6I104 T105 D106H89-I104 CarbonylContact O-C 3.58Å; H89-I104 VanDerWaalsContact O-CA 3.32Å; H89-I104 WeakPolarHBondContact O-CA 3.48Å; H89-T105 WeakPolarHBondContact CB-OG1 3.49Å; H89-T105 PolarHBondContact N-O 2.91Å; H89-T105 VanDerWaalsContact N-O 3.16Å; H89-T105 PolarHBondContact O-N 2.87Å; H89-D106 IonicContact CD2-OD2 3.21Å; H89-D106 PolarHBondContact CD2-OD2 2.98Å; H89-D106 IonicContact CG-OD2 3.82Å
90Y97.8Very high93.7Very high34 Ų3476.9 Ų76.913%0.13344%0.437CS..EExtended strand (participates in β ladder)trans-122122.5-179-58.5-99.5000109.7V68 C70 V88 P92 Q93 Q94 V102 S103 I104V68-Y90 HydrophobicContact CG1-CD1 4.5Å; V68-Y90 HydrophobicContact CG1-CE1 4.12Å; C70-Y90 WeakPolarHBondContact CB-OH 3.29Å; V88-Y90 HydrophobicContact CB-CE2 4.3Å; V88-Y90 HydrophobicContact CG1-CE2 3.89Å; Y90-P92 CarbonylContact O-C 3.59Å; Y90-Q93 PolarHBondContact O-N 2.81Å; Y90-Q94 HydrophobicContact CD1-CB 4.06Å; Y90-Q94 HydrophobicContact CD1-CG 3.87Å; Y90-Q94 HydrophobicContact CD2-CB 3.74Å; Y90-Q94 HydrophobicContact CD2-CG 3.92Å; Y90-Q94 HydrophobicContact CE1-CG 3.9Å; Y90-Q94 HydrophobicContact CE2-CB 4.28Å; Y90-Q94 HydrophobicContact CE2-CG 3.96Å; Y90-Q94 HydrophobicContact CG-CB 3.63Å; Y90-Q94 HydrophobicContact CG-CG 3.88Å; Y90-V102 HydrophobicContact CD1-CG2 4.35Å; Y90-S103 WeakPolarHBondContact CA-O 3.42Å; Y90-I104 HydrophobicContact CD1-CG1 3.66Å; Y90-I104 HydrophobicContact CD1-CG2 4.41Å; Y90-I104 HydrophobicContact CE1-CG1 3.78Å; Y90-I104 HydrophobicContact CE1-CG2 4.15Å
91T97.7Very high94.6Very high87 Ų8776.2 Ų76.253%0.53443%0.43SS..EExtended strand (participates in β ladder)trans-118.5125.8178.4-57.50000109.7S103T91-S103 PolarHBondContact N-O 2.98Å; T91-S103 PolarHBondContact O-N 2.86Å
92P97.3Very high95.1Very high84 Ų8474.4 Ų74.455%0.54542%0.418SS..SBendcis-78.6-25.56.430.7-35.2000114.9Y90Y90-P92 CarbonylContact O-C 3.59Å
93Q97.3Very high95.4Very high92 Ų9266.4 Ų66.443%0.4339%0.392SS..  trans-162.9169.4177.159.4-171.3-4.500109.7Y90 N95 G96 L97Y90-Q93 PolarHBondContact O-N 2.81Å; Q93-N95 WeakPolarHBondContact CG-O 3.5Å; Q93-N95 PolarHBondContact NE2-O 2.87Å; Q93-G96 PolarHBondContact NE2-O 2.87Å; Q93-L97 HydrophobicContact CG-CD1 4.12Å; Q93-L97 HydrophobicContact CG-CG 3.94Å; Q93-L97 VanDerWaalsContact O-CD1 3.29Å; Q93-L97 WeakPolarHBondContact O-CD1 3.26Å
94Q96.9Very high95.6Very high71 Ų7161.1 Ų61.133%0.33236%0.357SS..SBendtrans-89.5-36.6178.6-173.1-179.8-2.600113.5V68 Y90 L97V68-Q94 HydrophobicContact CB-CG 4.43Å; V68-Q94 PolarHBondContact N-O 2.8Å; V68-Q94 VanDerWaalsContact O-CG 3.3Å; V68-Q94 WeakPolarHBondContact O-CG 3.49Å; V68-Q94 PolarHBondContact O-NE2 3.11Å; Y90-Q94 HydrophobicContact CD1-CB 4.06Å; Y90-Q94 HydrophobicContact CD1-CG 3.87Å; Y90-Q94 HydrophobicContact CD2-CB 3.74Å; Y90-Q94 HydrophobicContact CD2-CG 3.92Å; Y90-Q94 HydrophobicContact CE1-CG 3.9Å; Y90-Q94 HydrophobicContact CE2-CB 4.28Å; Y90-Q94 HydrophobicContact CE2-CG 3.96Å; Y90-Q94 HydrophobicContact CG-CB 3.63Å; Y90-Q94 HydrophobicContact CG-CG 3.88Å; Q94-L97 WeakPolarHBondContact O-CD1 3.28Å
95N97.1Very high95.9Very high85 Ų8561.9 Ų61.946%0.45536%0.361SS..SBendtrans-123.3152.3-174.6-64.3-53000110.5N67 Q93 L97N67-N95 WeakPolarHBondContact CB-OD1 3.37Å; N67-N95 WeakPolarHBondContact OD1-CA 3.44Å; Q93-N95 WeakPolarHBondContact CG-O 3.5Å; Q93-N95 PolarHBondContact NE2-O 2.87Å; N95-L97 VanDerWaalsContact C-N 3.3Å; N95-L97 PolarHBondContact O-N 2.96Å
96G96.6Very high96.3Very high28 Ų2863.6 Ų63.629%0.28936%0.357SS..SBendtrans69.923.7176.900000113.9Y66 N67 Q93 K98Y66-G96 PolarHBondContact O-N 2.88Å; Y66-G96 VanDerWaalsContact O-N 3.11Å; N67-G96 PolarHBondContact OD1-N 2.87Å; Q93-G96 PolarHBondContact NE2-O 2.87Å; G96-K98 PolarHBondContact O-N 2.89Å
97L97.6Very high96.7Very high0 Ų057.8 Ų57.80%032%0.316CS..BIsolated β-bridgetrans-62.9132179-69.184.5000110.3W52 S65 Y66 V68 Q93 Q94 N95 R101 V102W52-L97 HydrophobicContact CH2-CD2 4.24Å; S65-L97 CarbonylContact C-O 3.59Å; S65-L97 WeakPolarHBondContact CA-O 3.27Å; S65-L97 WeakPolarHBondContact CB-O 3.46Å; Y66-L97 WeakPolarHBondContact CD2-O 3.37Å; Y66-L97 PolarHBondContact N-O 2.84Å; Y66-L97 VanDerWaalsContact O-CD1 3.25Å; Y66-L97 WeakPolarHBondContact O-CD1 3.12Å; Y66-L97 PolarHBondContact O-N 2.92Å; V68-L97 HydrophobicContact CG2-CD1 4.43Å; Q93-L97 HydrophobicContact CG-CD1 4.12Å; Q93-L97 HydrophobicContact CG-CG 3.94Å; Q93-L97 VanDerWaalsContact O-CD1 3.29Å; Q93-L97 WeakPolarHBondContact O-CD1 3.26Å; Q94-L97 WeakPolarHBondContact O-CD1 3.28Å; N95-L97 VanDerWaalsContact C-N 3.3Å; N95-L97 PolarHBondContact O-N 2.96Å; L97-R101 WeakPolarHBondContact CD2-O 3.49Å; L97-V102 HydrophobicContact CD2-CB 3.84Å; L97-V102 HydrophobicContact CD2-CG2 4.15Å
98K95.7Very high96.8Very high135 Ų13558.2 Ų58.259%0.58731%0.306SS*.  trans-94.6-17.9169.7-61.8-55.2-170.3-177.70112.4D63 I64 G96D63-K98 PolarHBondContact O-NZ 2.83Å; I64-K98 WeakPolarHBondContact O-CD 3.46Å; I64-K98 PolarHBondContact O-NZ 2.79Å; G96-K98 PolarHBondContact O-N 2.89Å
99T96.6Very high96.7Very high72 Ų7257.7 Ų57.744%0.44230%0.304SS..SBendtrans-87.9160173.452.60000111.1
100T97.6Very high96.5Very high50 Ų5056.5 Ų56.531%0.30730%0.298SS..SBendtrans-10128.1178.358.50000113.3E51 W52 Y66E51-T100 WeakPolarHBondContact CA-O 3.13Å; W52-T100 PolarHBondContact N-O 2.93Å; W52-T100 WeakPolarHBondContact O-CB 3.43Å; W52-T100 PolarHBondContact O-OG1 2.03Å; Y66-T100 HydrophobicContact CE2-CG2 3.88Å
101R98Very high96.1Very high134 Ų13455.9 Ų55.951%0.50630%0.298SS..EExtended strand (participates in β ladder)trans-137.9147.1173.594.2-173.3-59.7-97.12.2111.2L50 L97L50-R101 VanDerWaalsContact O-CA 3.26Å; L50-R101 WeakPolarHBondContact O-CA 3.39Å; L97-R101 WeakPolarHBondContact CD2-O 3.49Å
102V98.4Very high95.9Very high1 Ų153.9 Ų53.91%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-141.3144167.266.80000110.1L50 W52 V68 Y90 L97 I104L50-V102 HydrophobicContact CB-CG1 3.92Å; L50-V102 HydrophobicContact CD1-CG1 4.15Å; L50-V102 HydrophobicContact CG-CG1 4.42Å; L50-V102 PolarHBondContact N-O 3.36Å; L50-V102 PolarHBondContact O-N 3.03Å; W52-V102 HydrophobicContact CH2-CB 4.27Å; W52-V102 HydrophobicContact CH2-CG1 4.04Å; W52-V102 HydrophobicContact CZ3-CB 4.47Å; W52-V102 HydrophobicContact CZ3-CG1 3.9Å; V68-V102 HydrophobicContact CG2-CG1 3.88Å; Y90-V102 HydrophobicContact CD1-CG2 4.35Å; L97-V102 HydrophobicContact CD2-CB 3.84Å; L97-V102 HydrophobicContact CD2-CG2 4.15Å; V102-I104 HydrophobicContact CG1-CD1 3.57Å; V102-I104 HydrophobicContact CG1-CG1 4.41Å; V102-I104 HydrophobicContact CG2-CD1 4.47Å
103S98.3Very high95.7Very high25 Ų2550.3 Ų50.318%0.17526%0.26CS..EExtended strand (participates in β ladder)trans-106.1125.4167.9-167.80000108.9N49 Y90 T91N49-S103 VanDerWaalsContact OD1-CB 3.24Å; N49-S103 WeakPolarHBondContact OD1-CB 3.39Å; N49-S103 PolarHBondContact OD1-OG 2.85Å; Y90-S103 WeakPolarHBondContact CA-O 3.42Å; T91-S103 PolarHBondContact N-O 2.98Å; T91-S103 PolarHBondContact O-N 2.86Å
104I98.3Very high95.6Very high0 Ų046.7 Ų46.70%024%0.244CC..EExtended strand (participates in β ladder)trans-108.8122.8177.2-5693.8000108S47 V48 L50 V88 H89 Y90 V102 L107 F115S47-I104 CarbonylContact C-O 3.59Å; S47-I104 WeakPolarHBondContact CA-O 3.32Å; S47-I104 VanDerWaalsContact CB-O 3.23Å; S47-I104 WeakPolarHBondContact CB-O 3.45Å; V48-I104 PolarHBondContact N-O 2.89Å; V48-I104 VanDerWaalsContact O-CD1 3.28Å; V48-I104 WeakPolarHBondContact O-CD1 3.25Å; V48-I104 PolarHBondContact O-N 2.82Å; L50-I104 HydrophobicContact CB-CD1 4.5Å; L50-I104 HydrophobicContact CD1-CD1 3.64Å; L50-I104 HydrophobicContact CG-CD1 3.82Å; V88-I104 HydrophobicContact CG1-CG2 3.25Å; H89-I104 CarbonylContact O-C 3.58Å; H89-I104 VanDerWaalsContact O-CA 3.32Å; H89-I104 WeakPolarHBondContact O-CA 3.48Å; Y90-I104 HydrophobicContact CD1-CG1 3.66Å; Y90-I104 HydrophobicContact CD1-CG2 4.41Å; Y90-I104 HydrophobicContact CE1-CG1 3.78Å; Y90-I104 HydrophobicContact CE1-CG2 4.15Å; V102-I104 HydrophobicContact CG1-CD1 3.57Å; V102-I104 HydrophobicContact CG1-CG1 4.41Å; V102-I104 HydrophobicContact CG2-CD1 4.47Å; I104-L107 HydrophobicContact CG2-CD1 4.08Å; I104-L107 HydrophobicContact CG2-CD2 3.91Å; I104-L107 HydrophobicContact CG2-CG 4.08Å; I104-F115 HydrophobicContact CB-CE1 4.37Å; I104-F115 HydrophobicContact CD1-CE1 4.26Å; I104-F115 HydrophobicContact CG1-CE1 4.03Å; I104-F115 HydrophobicContact CG2-CE1 4.08Å; I104-F115 HydrophobicContact CG2-CZ 4.31Å
105T97.4Very high95.6Very high41 Ų4143.3 Ų43.325%0.25223%0.228SC..EExtended strand (participates in β ladder)trans-122.2170.9-179.463.10000111.8H89 L107H89-T105 WeakPolarHBondContact CB-OG1 3.49Å; H89-T105 PolarHBondContact N-O 2.91Å; H89-T105 VanDerWaalsContact N-O 3.16Å; H89-T105 PolarHBondContact O-N 2.87Å; T105-L107 VanDerWaalsContact C-N 3.25Å; T105-L107 PolarHBondContact O-N 2.82Å
106D95.3Very high95.5Very high94 Ų9440.8 Ų40.850%0.50321%0.214SC..SBendtrans64.530.9177.3-51.4-68.2000113.1T46 G87 H89T46-D106 PolarHBondContact O-N 2.99Å; T46-D106 VanDerWaalsContact O-N 3.15Å; G87-D106 VanDerWaalsContact O-CB 3.27Å; G87-D106 WeakPolarHBondContact O-CB 3.34Å; H89-D106 IonicContact CD2-OD2 3.21Å; H89-D106 PolarHBondContact CD2-OD2 2.98Å; H89-D106 IonicContact CG-OD2 3.82Å
107L94.7Very high95.6Very high5 Ų539.5 Ų39.53%0.02620%0.2CC..PPolyproline II helixtrans-75.8157.7168-58.3167.9000110T46 V48 V88 I104 T105 Y113 F115 T140T46-L107 VanDerWaalsContact CB-O 3.24Å; T46-L107 WeakPolarHBondContact CB-O 3.28Å; T46-L107 VanDerWaalsContact CG2-O 3.31Å; T46-L107 WeakPolarHBondContact CG2-O 3.09Å; T46-L107 WeakPolarHBondContact O-CB 3.27Å; T46-L107 PolarHBondContact O-N 2.82Å; V48-L107 HydrophobicContact CB-CD1 4.06Å; V48-L107 HydrophobicContact CG2-CD1 3.56Å; V88-L107 HydrophobicContact CG1-CD2 3.87Å; V88-L107 HydrophobicContact CG2-CD2 3.9Å; I104-L107 HydrophobicContact CG2-CD1 4.08Å; I104-L107 HydrophobicContact CG2-CD2 3.91Å; I104-L107 HydrophobicContact CG2-CG 4.08Å; T105-L107 VanDerWaalsContact C-N 3.25Å; T105-L107 PolarHBondContact O-N 2.82Å; L107-Y113 HydrophobicContact CB-CE2 3.87Å; L107-Y113 HydrophobicContact CD2-CD1 4.08Å; L107-Y113 HydrophobicContact CD2-CD2 4.39Å; L107-Y113 HydrophobicContact CD2-CE1 3.71Å; L107-Y113 HydrophobicContact CD2-CE2 4.04Å; L107-Y113 HydrophobicContact CD2-CG 4.39Å; L107-Y113 HydrophobicContact CG-CE2 4.42Å; L107-F115 HydrophobicContact CD1-CZ 4.07Å; L107-F115 HydrophobicContact CD2-CZ 4.33Å; L107-T140 HydrophobicContact CB-CG2 4.19Å; L107-T140 HydrophobicContact CD1-CG2 4.13Å
108L92.2Very high95.6Very high58 Ų5842.4 Ų42.430%0.30421%0.211SC..PPolyproline II helixtrans-76.3141171.9-62.7171.3000109.9T111 Y113 T140L108-T111 WeakPolarHBondContact CB-OG1 3.22Å; L108-T111 WeakPolarHBondContact O-CB 3.46Å; L108-Y113 PolarHBondContact N-OH 3.15Å; L108-Y113 VanDerWaalsContact N-OH 3.09Å; L108-T140 PolarHBondContact O-OG1 2.91Å
109A93Very high95.7Very high6 Ų636 Ų365%0.0518%0.183CC..THydrogen-bonded Turntrans-66.2155.6172.800000111.5E45 T111 A143 N172E45-A109 VanDerWaalsContact O-CA 3.31Å; E45-A109 WeakPolarHBondContact O-CA 3.36Å; A109-T111 PolarHBondContact O-N 2.8Å; A109-T111 VanDerWaalsContact O-N 3.17Å; A109-T111 PolarHBondContact O-OG1 2.64Å; A109-A143 HydrophobicContact CB-CB 3.65Å; A109-N172 HydrophobicContact CB-CB 3.81Å
110H92.3Very high95.6Very high84 Ų8433.8 Ų33.839%0.38917%0.17SC..THydrogen-bonded Turntrans46.745.6178.5-161.460.1000114.2T140 N141 Q142H110-T140 WeakPolarHBondContact CA-O 3.15Å; H110-T140 PolarHBondContact N-O 3.01Å; H110-T140 PolarHBondContact N-OG1 3.06Å; H110-N141 PolarHBondContact N-O 3.26Å; H110-Q142 HydrophobicContact CB-CG 4.25Å
111T91Very high95.4Very high21 Ų2132 Ų3213%0.12916%0.158CC..  trans-130.8138.2-172.9-66.90000110.5K72 L108 A109 Y113 T139 T140K72-T111 HydrophobicContact CD-CG2 4Å; K72-T111 VanDerWaalsContact CE-CG2 3.42Å; K72-T111 HydrophobicContact CG-CG2 3.79Å; L108-T111 WeakPolarHBondContact CB-OG1 3.22Å; L108-T111 WeakPolarHBondContact O-CB 3.46Å; A109-T111 PolarHBondContact O-N 2.8Å; A109-T111 VanDerWaalsContact O-N 3.17Å; A109-T111 PolarHBondContact O-OG1 2.64Å; T111-Y113 HydrophobicContact CG2-CD2 3.88Å; T111-Y113 HydrophobicContact CG2-CE2 3.34Å; T111-Y113 WeakPolarHBondContact O-CD2 3.14Å; T111-T139 WeakPolarHBondContact O-CA 3.21Å; T111-T140 PolarHBondContact N-OG1 3.11Å; T111-T140 PolarHBondContact O-N 3.19Å; T111-T140 PolarHBondContact O-OG1 3.42Å
112N92.7Very high95Very high46 Ų4626.9 Ų26.925%0.24615%0.148CC..EExtended strand (participates in β ladder)trans-80.2122.2175.6-68.4-20.2000111.4C73 V138 T139C73-N112 PolarHBondContact N-O 3.46Å; N112-V138 WeakPolarHBondContact CA-O 3.24Å; N112-T139 WeakPolarHBondContact OD1-CB 3.35Å; N112-T139 VanDerWaalsContact OD1-CG2 3.27Å; N112-T139 WeakPolarHBondContact OD1-CG2 3.38Å; N112-T139 PolarHBondContact OD1-OG1 3.26Å
113Y93.8Very high94.5Very high8 Ų827.2 Ų27.23%0.03115%0.15CC..EExtended strand (participates in β ladder)trans-121.3141.7173.9-71.6-85.8000110.7K71 K72 L107 L108 T111 F115 T137 V138 T140K71-Y113 CarbonylContact O-C 3.49Å; K71-Y113 VanDerWaalsContact O-CA 3.28Å; K71-Y113 WeakPolarHBondContact O-CA 3.24Å; K72-Y113 HydrophobicContact CB-CD1 4.09Å; K72-Y113 HydrophobicContact CB-CE1 3.83Å; K72-Y113 HydrophobicContact CG-CD1 4.5Å; K72-Y113 HydrophobicContact CG-CE1 4.08Å; L107-Y113 HydrophobicContact CB-CE2 3.87Å; L107-Y113 HydrophobicContact CD2-CD1 4.08Å; L107-Y113 HydrophobicContact CD2-CD2 4.39Å; L107-Y113 HydrophobicContact CD2-CE1 3.71Å; L107-Y113 HydrophobicContact CD2-CE2 4.04Å; L107-Y113 HydrophobicContact CD2-CG 4.39Å; L107-Y113 HydrophobicContact CG-CE2 4.42Å; L108-Y113 PolarHBondContact N-OH 3.15Å; L108-Y113 VanDerWaalsContact N-OH 3.09Å; T111-Y113 HydrophobicContact CG2-CD2 3.88Å; T111-Y113 HydrophobicContact CG2-CE2 3.34Å; T111-Y113 WeakPolarHBondContact O-CD2 3.14Å; Y113-F115 HydrophobicContact CG-CE2 4.49Å; Y113-F115 HydrophobicContact CG-CZ 4.42Å; Y113-T137 CarbonylContact O-C 3.57Å; Y113-T137 WeakPolarHBondContact O-CA 3.41Å; Y113-V138 PolarHBondContact N-O 3.21Å; Y113-V138 PolarHBondContact O-N 3.02Å; Y113-V138 VanDerWaalsContact O-O 3.12Å; Y113-T140 HydrophobicContact CD2-CG2 4.08Å; Y113-T140 HydrophobicContact CE2-CG2 4.25Å
114T94.6Very high94.1Very high16 Ų1626.4 Ų26.410%0.09814%0.144CC..EExtended strand (participates in β ladder)trans-114.8126.2168.8-59.90000108.4K71 V136 T137K71-T114 PolarHBondContact N-O 2.55Å; K71-T114 PolarHBondContact O-N 2.69Å; T114-V136 CarbonylContact C-O 3.59Å; T114-V136 WeakPolarHBondContact CA-O 3.5Å; T114-T137 PolarHBondContact OG1-OG1 2.87Å
115F96.4Very high93.5Very high0 Ų033.3 Ų33.30%017%0.174CC..EExtended strand (participates in β ladder)trans-110.9130.6176.4-63.8-83.1000109.5V48 L50 V68 V69 C70 I104 L107 Y113 I117 S135 V136 V138V48-F115 HydrophobicContact CB-CE2 4.11Å; V48-F115 HydrophobicContact CB-CZ 4.28Å; V48-F115 HydrophobicContact CG1-CD2 4.41Å; V48-F115 HydrophobicContact CG1-CE2 4.01Å; V48-F115 HydrophobicContact CG2-CE2 4.01Å; V48-F115 HydrophobicContact CG2-CZ 4.34Å; L50-F115 HydrophobicContact CD1-CB 3.65Å; L50-F115 HydrophobicContact CD1-CD1 4.08Å; L50-F115 HydrophobicContact CD1-CD2 4.37Å; L50-F115 HydrophobicContact CD1-CG 3.79Å; V68-F115 HydrophobicContact CG1-CD1 4.29Å; V69-F115 CarbonylContact O-C 3.54Å; V69-F115 WeakPolarHBondContact O-CA 3.47Å; C70-F115 HydrophobicContact CB-CD1 4.02Å; C70-F115 HydrophobicContact CB-CE1 3.85Å; C70-F115 WeakPolarHBondContact SG-CE1 3.33Å; I104-F115 HydrophobicContact CB-CE1 4.37Å; I104-F115 HydrophobicContact CD1-CE1 4.26Å; I104-F115 HydrophobicContact CG1-CE1 4.03Å; I104-F115 HydrophobicContact CG2-CE1 4.08Å; I104-F115 HydrophobicContact CG2-CZ 4.31Å; L107-F115 HydrophobicContact CD1-CZ 4.07Å; L107-F115 HydrophobicContact CD2-CZ 4.33Å; Y113-F115 HydrophobicContact CG-CE2 4.49Å; Y113-F115 HydrophobicContact CG-CZ 4.42Å; F115-I117 HydrophobicContact CB-CD1 4.27Å; F115-S135 CarbonylContact O-C 3.48Å; F115-S135 WeakPolarHBondContact O-CA 3.38Å; F115-V136 HydrophobicContact CB-CG1 4.22Å; F115-V136 PolarHBondContact N-O 3.19Å; F115-V136 PolarHBondContact O-N 3.22Å; F115-V138 HydrophobicContact CD2-CG2 4Å; F115-V138 HydrophobicContact CE2-CG2 3.7Å
116E96.1Very high92.9Very high33 Ų3337.2 Ų37.215%0.15419%0.185CC..EExtended strand (participates in β ladder)trans-114.4127.7173.2-59167-173.400109.2V69 K71 W118 V134V69-E116 HydrophobicContact CB-CB 4.19Å; V69-E116 PolarHBondContact N-O 2.8Å; V69-E116 PolarHBondContact O-N 2.99Å; K71-E116 WeakPolarHBondContact CE-OE1 3.42Å; K71-E116 IonicContact NZ-OE1 2.64Å; K71-E116 PolarHBondContact NZ-OE1 2.82Å; K71-E116 IonicContact NZ-OE2 3.46Å; K71-E116 PolarHBondContact NZ-OE2 3.07Å; E116-W118 PolarHBondContact OE2-NE1 2.86Å; E116-V134 WeakPolarHBondContact CA-O 3.37Å
117I97.9Very high92.3Very high0 Ų037.4 Ų37.40%019%0.186CC..EExtended strand (participates in β ladder)trans-108.1112.7-179-59.962000106.2P36 L39 L50 W52 Y66 F115 S133 V134P36-I117 HydrophobicContact CG-CB 4.41Å; P36-I117 HydrophobicContact CG-CG2 3.88Å; L39-I117 HydrophobicContact CD1-CD1 3.72Å; L39-I117 HydrophobicContact CD1-CG1 3.98Å; L39-I117 HydrophobicContact CD2-CD1 3.56Å; L39-I117 HydrophobicContact CD2-CG1 4.46Å; L39-I117 HydrophobicContact CG-CD1 4.31Å; L50-I117 HydrophobicContact CD1-CD1 4.03Å; W52-I117 HydrophobicContact CD2-CG2 3.84Å; W52-I117 HydrophobicContact CE3-CG1 4.1Å; W52-I117 HydrophobicContact CE3-CG2 4.19Å; W52-I117 HydrophobicContact CG-CG2 4.33Å; W52-I117 HydrophobicContact CH2-CG2 4.31Å; W52-I117 HydrophobicContact CZ2-CG2 3.96Å; W52-I117 HydrophobicContact CZ3-CG1 4.23Å; W52-I117 HydrophobicContact CZ3-CG2 4.42Å; Y66-I117 HydrophobicContact CD1-CG2 4.32Å; F115-I117 HydrophobicContact CB-CD1 4.27Å; I117-S133 VanDerWaalsContact O-CA 3.24Å; I117-S133 WeakPolarHBondContact O-CA 3.29Å; I117-V134 HydrophobicContact CB-CG1 4.44Å; I117-V134 PolarHBondContact N-O 3.24Å; I117-V134 PolarHBondContact O-N 3.05Å; I117-V134 VanDerWaalsContact O-N 3.15Å
118W97.4Very high91.7Very high61 Ų6141.9 Ų41.923%0.23122%0.215CC..EExtended strand (participates in β ladder)trans-98.2122.4-178.2-72.573.3000109.7Y66 N67 E116 V120 S129 Q132Y66-W118 CarbonylContact C-O 3.32Å; Y66-W118 WeakPolarHBondContact CA-O 3.23Å; N67-W118 HydrophobicContact CB-CB 4.32Å; N67-W118 PolarHBondContact N-O 3.18Å; N67-W118 PolarHBondContact O-N 3.17Å; E116-W118 PolarHBondContact OE2-NE1 2.86Å; W118-V120 HydrophobicContact CB-CG1 4.36Å; W118-S129 WeakPolarHBondContact CZ3-O 3.03Å; W118-Q132 HydrophobicContact CE3-CB 4.13Å; W118-Q132 HydrophobicContact CZ3-CB 4.34Å
119A96.9Very high91.2Very high0 Ų040.3 Ų40.30%021%0.209CC..EExtended strand (participates in β ladder)trans-82.1126.8165.200000109.1P33 P36 P55 Y66 Q132P33-A119 HydrophobicContact CB-CB 4.13Å; P33-A119 HydrophobicContact CG-CB 3.7Å; P33-A119 VanDerWaalsContact CG-O 3.27Å; P33-A119 WeakPolarHBondContact CG-O 3.23Å; P36-A119 HydrophobicContact CG-CB 4.08Å; P55-A119 HydrophobicContact CG-CB 3.58Å; Y66-A119 HydrophobicContact CD1-CB 4.18Å; Y66-A119 HydrophobicContact CE1-CB 4.06Å; A119-Q132 PolarHBondContact N-O 3.29Å
120V95.5Very high90.5Very high27 Ų2744.4 Ų44.416%0.16424%0.235CC..EExtended strand (participates in β ladder)trans-132.7147.5-179.1-60.50000111.5I64 S65 W118 S124I64-V120 CarbonylContact C-O 3.59Å; I64-V120 WeakPolarHBondContact CA-O 3.42Å; S65-V120 PolarHBondContact N-O 3.43Å; S65-V120 WeakPolarHBondContact O-CG2 3.27Å; S65-V120 PolarHBondContact O-N 2.83Å; S65-V120 WeakPolarHBondContact OG-CG2 3.45Å; W118-V120 HydrophobicContact CB-CG1 4.36Å; V120-S124 WeakPolarHBondContact CA-OG 3.31Å
121N92.9Very high90.2Very high12 Ų1246.3 Ų46.36%0.06425%0.248CC..  trans-133.7179.4170.370.418.3000109.8G31 T58 R61 V123 S124G31-N121 PolarHBondContact O-ND2 2.88Å; T58-N121 PolarHBondContact O-ND2 3.15Å; R61-N121 PolarHBondContact NH2-OD1 2.94Å; N121-V123 PolarHBondContact O-N 3.09Å; N121-V123 WeakPolarHBondContact OD1-CG2 3.35Å; N121-V123 PolarHBondContact OD1-N 3.33Å; N121-S124 PolarHBondContact N-OG 3.04Å; N121-S124 WeakPolarHBondContact O-CB 3.49Å; N121-S124 PolarHBondContact O-N 3.23Å; N121-S124 VanDerWaalsContact O-N 3.13Å; N121-S124 PolarHBondContact OD1-N 3.44Å; N121-S124 VanDerWaalsContact OD1-N 3.13Å; N121-S124 PolarHBondContact OD1-OG 2.89Å
122G89.6Confident90.3Very high27 Ų2745.6 Ų45.628%0.27824%0.243SC..THydrogen-bonded Turntrans-55.1-11.217900000117.5R61 D63 K125R61-G122 VanDerWaalsContact NH2-C 3.27Å; R61-G122 VanDerWaalsContact NH2-CA 3.29Å; D63-G122 WeakPolarHBondContact OD2-CA 3.36Å; D63-G122 PolarHBondContact OD2-N 3.19Å; G122-K125 VanDerWaalsContact O-CE 3.23Å; G122-K125 WeakPolarHBondContact O-CE 3.42Å
123V88.5Confident90.4Very high8 Ų844.7 Ų44.75%0.04824%0.241CC..THydrogen-bonded Turntrans-111.6-14.5179.6-65.50000113.9Y26 G31 N121 K125 Y126 N127Y26-V123 HydrophobicContact CD1-CG1 3.43Å; Y26-V123 VanDerWaalsContact CD1-CG1 3.43Å; Y26-V123 HydrophobicContact CD2-CG1 3.52Å; Y26-V123 HydrophobicContact CE1-CG1 3.53Å; Y26-V123 HydrophobicContact CE2-CG1 3.63Å; Y26-V123 HydrophobicContact CG-CG1 3.44Å; Y26-V123 VanDerWaalsContact CG-CG1 3.44Å; G31-V123 VanDerWaalsContact O-CG2 3.25Å; G31-V123 WeakPolarHBondContact O-CG2 3.42Å; N121-V123 PolarHBondContact O-N 3.09Å; N121-V123 WeakPolarHBondContact OD1-CG2 3.35Å; N121-V123 PolarHBondContact OD1-N 3.33Å; V123-K125 PolarHBondContact O-N 3.38Å; V123-Y126 HydrophobicContact CB-CD2 4.33Å; V123-Y126 HydrophobicContact CG1-CD2 4.38Å; V123-Y126 PolarHBondContact O-N 3.05Å; V123-N127 PolarHBondContact O-N 2.77Å
124S89.1Confident90.6Very high8 Ų846.3 Ų46.36%0.05625%0.251CS..THydrogen-bonded Turntrans-52.2-31.4175.2-65.90000112.7P33 V120 N121 Y126 N127 P128 Q132P33-S124 WeakPolarHBondContact CD-OG 3.24Å; V120-S124 WeakPolarHBondContact CA-OG 3.31Å; N121-S124 PolarHBondContact N-OG 3.04Å; N121-S124 WeakPolarHBondContact O-CB 3.49Å; N121-S124 PolarHBondContact O-N 3.23Å; N121-S124 VanDerWaalsContact O-N 3.13Å; N121-S124 PolarHBondContact OD1-N 3.44Å; N121-S124 VanDerWaalsContact OD1-N 3.13Å; N121-S124 PolarHBondContact OD1-OG 2.89Å; S124-Y126 VanDerWaalsContact C-N 3.3Å; S124-Y126 PolarHBondContact O-N 3.13Å; S124-N127 CarbonylContact O-C 3.51Å; S124-N127 PolarHBondContact O-N 2.87Å; S124-P128 WeakPolarHBondContact O-CA 3.49Å; S124-P128 VanDerWaalsContact O-N 3.16Å; S124-Q132 PolarHBondContact OG-OE1 2.83Å
125K86.4Confident90.6Very high144 Ų14449 Ų4963%0.62627%0.271SS*.THydrogen-bonded Turntrans-67-23.2175.858.3169160.2165.90115.1G122 V123G122-K125 VanDerWaalsContact O-CE 3.23Å; G122-K125 WeakPolarHBondContact O-CE 3.42Å; V123-K125 PolarHBondContact O-N 3.38Å
126Y84.6Confident90.5Very high124 Ų12450.4 Ų50.449%0.48628%0.28SS..THydrogen-bonded Turntrans-94.7-22.8-179.4-55.1-70.7000112.2Y26 V123 S124Y26-Y126 HydrophobicContact CD2-CD2 4.45Å; Y26-Y126 AromaticContact CE2-CD2 3.54Å; Y26-Y126 HydrophobicContact CE2-CD2 3.54Å; Y26-Y126 AromaticContact CE2-CE2 3.46Å; Y26-Y126 HydrophobicContact CE2-CE2 3.46Å; Y26-Y126 VanDerWaalsContact CE2-CE2 3.46Å; Y26-Y126 HydrophobicContact CE2-CG 4.43Å; Y26-Y126 AromaticContact CZ-CE2 3.57Å; Y26-Y126 WeakPolarHBondContact OH-CE2 3.39Å; Y26-Y126 PolarHBondContact OH-OH 3.13Å; V123-Y126 HydrophobicContact CB-CD2 4.33Å; V123-Y126 HydrophobicContact CG1-CD2 4.38Å; V123-Y126 PolarHBondContact O-N 3.05Å; S124-Y126 VanDerWaalsContact C-N 3.3Å; S124-Y126 PolarHBondContact O-N 3.13Å
127N82.7Confident90.5Very high98 Ų9853.2 Ų53.252%0.52430%0.299SS..SBendtrans-139.573.5175.5-170.836000110.6V123 S124 S129 Q132V123-N127 PolarHBondContact O-N 2.77Å; S124-N127 CarbonylContact O-C 3.51Å; S124-N127 PolarHBondContact O-N 2.87Å; N127-S129 PolarHBondContact O-N 3.36Å; N127-Q132 PolarHBondContact O-NE2 2.97Å
128P81.4Confident90.3Very high98 Ų9853.8 Ų53.864%0.63630%0.302SS*.  trans-68.8128.1176.228.3-32.8000109.8S124S124-P128 WeakPolarHBondContact O-CA 3.49Å; S124-P128 VanDerWaalsContact O-N 3.16Å
129S81.9Confident90.1Very high26 Ų2654.1 Ų54.118%0.18231%0.311CS..  trans-132.4140.3174.2172.60000109.7W118 N127 D131 Q132W118-S129 WeakPolarHBondContact CZ3-O 3.03Å; N127-S129 PolarHBondContact O-N 3.36Å; S129-D131 PolarHBondContact O-N 2.91Å; S129-D131 PolarHBondContact OG-N 2.92Å; S129-D131 PolarHBondContact OG-OD2 2.89Å; S129-Q132 WeakPolarHBondContact O-CB 3.41Å; S129-Q132 VanDerWaalsContact O-CG 3.24Å; S129-Q132 WeakPolarHBondContact O-CG 3.15Å; S129-Q132 PolarHBondContact O-N 2.74Å
130P78.3Confident89.9Confident92 Ų9254.2 Ų54.260%0.59731%0.312SS*.G310 helixtrans-60-23.2173.225.6-34.3000113.2Q132 S133P130-Q132 PolarHBondContact O-N 3.41Å; P130-S133 PolarHBondContact O-N 3.5Å; P130-S133 PolarHBondContact O-OG 3.34Å
131D86.4Confident89.9Confident124 Ų12456.7 Ų56.766%0.66332%0.324SS*.G310 helixtrans-66.1-5.2177.7-55.2-34.2000113.5S34 A35 S129 S133S34-D131 CarbonylContact C-O 3.6Å; A35-D131 WeakPolarHBondContact CB-O 3.4Å; A35-D131 PolarHBondContact N-O 3.07Å; S129-D131 PolarHBondContact O-N 2.91Å; S129-D131 PolarHBondContact OG-N 2.92Å; S129-D131 PolarHBondContact OG-OD2 2.89Å; D131-S133 VanDerWaalsContact C-N 3.25Å
132Q92.4Very high89.8Confident5 Ų560.7 Ų60.72%0.02334%0.343CS..G310 helixtrans-83.1-2.8174.4-59.5175.427.200112.4P32 P33 W118 A119 S124 N127 S129 P130P32-Q132 HydrophobicContact CB-CG 4.12Å; P33-Q132 WeakPolarHBondContact O-CG 3.44Å; W118-Q132 HydrophobicContact CE3-CB 4.13Å; W118-Q132 HydrophobicContact CZ3-CB 4.34Å; A119-Q132 PolarHBondContact N-O 3.29Å; S124-Q132 PolarHBondContact OG-OE1 2.83Å; N127-Q132 PolarHBondContact O-NE2 2.97Å; S129-Q132 WeakPolarHBondContact O-CB 3.41Å; S129-Q132 VanDerWaalsContact O-CG 3.24Å; S129-Q132 WeakPolarHBondContact O-CG 3.15Å; S129-Q132 PolarHBondContact O-N 2.74Å; P130-Q132 PolarHBondContact O-N 3.41Å
133S96.3Very high89.9Confident28 Ų2860.4 Ų60.420%0.19634%0.338CS..EExtended strand (participates in β ladder)trans-129.8152.5-171.873.30000113.5A35 I117 P130 D131A35-S133 WeakPolarHBondContact CB-O 3.46Å; I117-S133 VanDerWaalsContact O-CA 3.24Å; I117-S133 WeakPolarHBondContact O-CA 3.29Å; P130-S133 PolarHBondContact O-N 3.5Å; P130-S133 PolarHBondContact O-OG 3.34Å; D131-S133 VanDerWaalsContact C-N 3.25Å
134V96.8Very high89.9Confident41 Ų4163.8 Ų63.825%0.24837%0.366CS..EExtended strand (participates in β ladder)trans-127.5141.2169.9590000108.8A35 P36 L39 E116 I117A35-V134 HydrophobicContact CB-CB 4.39Å; P36-V134 HydrophobicContact CB-CG1 3.95Å; P36-V134 HydrophobicContact CG-CG1 4.11Å; P36-V134 WeakPolarHBondContact O-CG1 3.11Å; L39-V134 HydrophobicContact CB-CG1 4.09Å; L39-V134 HydrophobicContact CB-CG2 4.28Å; L39-V134 HydrophobicContact CD2-CG1 4.02Å; L39-V134 HydrophobicContact CD2-CG2 4.23Å; E116-V134 WeakPolarHBondContact CA-O 3.37Å; I117-V134 HydrophobicContact CB-CG1 4.44Å; I117-V134 PolarHBondContact N-O 3.24Å; I117-V134 PolarHBondContact O-N 3.05Å; I117-V134 VanDerWaalsContact O-N 3.15Å
135S95.2Very high90Very high74 Ų7467 Ų6752%0.51739%0.387SS..EExtended strand (participates in β ladder)trans-115.5146.4-176.866.50000112.6F115F115-S135 CarbonylContact O-C 3.48Å; F115-S135 WeakPolarHBondContact O-CA 3.38Å
136V95.2Very high90.2Very high29 Ų2962 Ų6218%0.17637%0.37CS..EExtended strand (participates in β ladder)trans-131137.3167.467.60000109.9L39 L50 T114 F115 V138L39-V136 HydrophobicContact CD2-CB 3.68Å; L39-V136 HydrophobicContact CD2-CG1 3.7Å; L39-V136 HydrophobicContact CG-CB 4.28Å; L39-V136 HydrophobicContact CG-CG1 4.22Å; L50-V136 HydrophobicContact CD2-CG1 3.88Å; T114-V136 CarbonylContact C-O 3.59Å; T114-V136 WeakPolarHBondContact CA-O 3.5Å; F115-V136 HydrophobicContact CB-CG1 4.22Å; F115-V136 PolarHBondContact N-O 3.19Å; F115-V136 PolarHBondContact O-N 3.22Å; V136-V138 HydrophobicContact CG2-CG1 4.05Å
137T94.6Very high90.5Very high92 Ų9261.1 Ų61.156%0.56438%0.382SS*.EExtended strand (participates in β ladder)trans-106.1128.9172.7-61.20000109Y113 T114Y113-T137 CarbonylContact O-C 3.57Å; Y113-T137 WeakPolarHBondContact O-CA 3.41Å; T114-T137 PolarHBondContact OG1-OG1 2.87Å
138V93.7Very high91Very high11 Ų1159.7 Ų59.77%0.06737%0.374CS..EExtended strand (participates in β ladder)trans-133.7150.4-177.7-61.30000110.5S41 V43 V48 N112 Y113 F115 V136S41-V138 VanDerWaalsContact OG-CG1 3.29Å; S41-V138 WeakPolarHBondContact OG-CG1 3.44Å; V43-V138 HydrophobicContact CG2-CB 3.78Å; V43-V138 HydrophobicContact CG2-CG1 3.87Å; V43-V138 HydrophobicContact CG2-CG2 4.27Å; V48-V138 HydrophobicContact CG1-CG2 4.39Å; V48-V138 HydrophobicContact CG2-CG2 3.97Å; N112-V138 WeakPolarHBondContact CA-O 3.24Å; Y113-V138 PolarHBondContact N-O 3.21Å; Y113-V138 PolarHBondContact O-N 3.02Å; Y113-V138 VanDerWaalsContact O-O 3.12Å; F115-V138 HydrophobicContact CD2-CG2 4Å; F115-V138 HydrophobicContact CE2-CG2 3.7Å; V136-V138 HydrophobicContact CG2-CG1 4.05Å
139T93.3Very high91.4Very high69 Ų6959.3 Ų59.342%0.42338%0.379SS..EExtended strand (participates in β ladder)trans-110.9120.9171.3-51.10000107.8V43 T111 N112V43-T139 WeakPolarHBondContact CG1-O 3.27Å; T111-T139 WeakPolarHBondContact O-CA 3.21Å; N112-T139 WeakPolarHBondContact OD1-CB 3.35Å; N112-T139 VanDerWaalsContact OD1-CG2 3.27Å; N112-T139 WeakPolarHBondContact OD1-CG2 3.38Å; N112-T139 PolarHBondContact OD1-OG1 3.26Å
140T94Very high91.8Very high2 Ų262.3 Ų62.31%0.01239%0.393CS..PPolyproline II helixtrans-62.7149.2175.247.60000111.3V43 E45 V48 L107 L108 H110 T111 Y113V43-T140 HydrophobicContact CG1-CG2 4.42Å; E45-T140 WeakPolarHBondContact O-CB 3.32Å; V48-T140 HydrophobicContact CG2-CG2 4.34Å; L107-T140 HydrophobicContact CB-CG2 4.19Å; L107-T140 HydrophobicContact CD1-CG2 4.13Å; L108-T140 PolarHBondContact O-OG1 2.91Å; H110-T140 WeakPolarHBondContact CA-O 3.15Å; H110-T140 PolarHBondContact N-O 3.01Å; H110-T140 PolarHBondContact N-OG1 3.06Å; T111-T140 PolarHBondContact N-OG1 3.11Å; T111-T140 PolarHBondContact O-N 3.19Å; T111-T140 PolarHBondContact O-OG1 3.42Å; Y113-T140 HydrophobicContact CD2-CG2 4.08Å; Y113-T140 HydrophobicContact CE2-CG2 4.25Å
141N93.8Very high92.6Very high78 Ų7861.7 Ų61.742%0.41739%0.387SS..PPolyproline II helixtrans-66.8162.7-179.1-64.6-27.6000111.1V43 N44 E45 H110V43-N141 PolarHBondContact O-ND2 3.43Å; N44-N141 PolarHBondContact O-N 2.86Å; N44-N141 VanDerWaalsContact O-N 3.07Å; E45-N141 HydrophobicContact CG-CB 4.26Å; H110-N141 PolarHBondContact N-O 3.26Å
142Q92.3Very high93.1Very high97 Ų9759.9 Ų59.945%0.45337%0.374SS..PPolyproline II helixtrans-71.4146172.9-56-171.4131.300110.2H110 N172 G173H110-Q142 HydrophobicContact CB-CG 4.25Å; Q142-N172 CarbonylContact C-O 3.57Å; Q142-N172 WeakPolarHBondContact CA-O 3.33Å; Q142-N172 WeakPolarHBondContact CB-O 3.25Å; Q142-G173 VanDerWaalsContact OE1-CA 3.28Å
143A91.4Very high93.2Very high21 Ų2162.5 Ų62.517%0.17440%0.397CS..  trans-124.9172.1173.400000109.8E45 A109 N172E45-A143 HydrophobicContact CB-CB 4.21Å; E45-A143 HydrophobicContact CG-CB 4.41Å; E45-A143 WeakPolarHBondContact OE2-CB 3.37Å; A109-A143 HydrophobicContact CB-CB 3.65Å; A143-N172 HydrophobicContact CB-CB 4.07Å; A143-N172 PolarHBondContact N-O 2.92Å; A143-N172 WeakPolarHBondContact O-CB 3.4Å
144A89.1Confident93.2Very high79 Ų7967.7 Ų67.765%0.65342%0.416SS*.PPolyproline II helixtrans-56.5135.7174.300000110.8N172A144-N172 PolarHBondContact O-ND2 2.8Å
145P90.4Very high93.2Very high76 Ų7671.8 Ų71.849%0.49443%0.432SS..PPolyproline II helixtrans-64.4158.4175.526.6-33.5000110.8P168 R170 P171P145-P168 HydrophobicContact CB-CB 4.35Å; P145-P168 HydrophobicContact CB-CG 4.09Å; P145-R170 WeakPolarHBondContact CA-O 3.49Å; P145-P171 WeakPolarHBondContact CB-O 3.26Å
146S91.2Very high93.2Very high39 Ų3973.2 Ų73.227%0.27344%0.438SS..PPolyproline II helixtrans-66.3163169.8620000111.6P168 D169 R170S146-P168 WeakPolarHBondContact O-CB 3.4Å; S146-P168 VanDerWaalsContact OG-CB 3.31Å; S146-P168 WeakPolarHBondContact OG-CB 3.28Å; S146-D169 PolarHBondContact OG-N 3.33Å; S146-R170 PolarHBondContact N-O 3.49Å; S146-R170 PolarHBondContact OG-N 3.19Å; S146-R170 PolarHBondContact OG-O 3.06Å
147S90.1Very high93.3Very high105 Ų10574.6 Ų74.673%0.73445%0.446SS*.PPolyproline II helixtrans-62.8146.5171.155.20000111.3A149S147-A149 PolarHBondContact O-N 2.87Å
148I92.4Very high93.4Very high67 Ų6779.8 Ų79.834%0.34446%0.456SS..PPolyproline II helixtrans-72120.8170.1-67161.1000108.3V151 W165 P168I148-V151 HydrophobicContact CG2-CG2 4.09Å; I148-W165 VanDerWaalsContact CD1-CD1 3.47Å; I148-W165 HydrophobicContact CD1-CG 4.04Å; I148-W165 HydrophobicContact CG2-CB 3.69Å; I148-W165 HydrophobicContact CG2-CG 4.22Å; I148-P168 HydrophobicContact CG1-CG 4.18Å
149A89.7Confident93.6Very high90 Ų9088 Ų8874%0.74449%0.487SS*.SBendtrans-74-28.2-175.300000113.4S147S147-A149 PolarHBondContact O-N 2.87Å
150L92.1Very high93.7Very high90 Ų9087.9 Ų87.947%0.47149%0.489SS..  trans-144.9125.4-174.2-172.665.3000112.1Q152 W165L150-Q152 HydrophobicContact CD2-CG 4.13Å; L150-Q152 HydrophobicContact CG-CG 4.04Å; L150-W165 WeakPolarHBondContact O-CB 3.25Å
151V94.4Very high93.8Very high79 Ų7991.9 Ų91.948%0.47951%0.513SS..EExtended strand (participates in β ladder)trans-115.6129.2169.5-174.80000107.8I148 L163 W165I148-V151 HydrophobicContact CG2-CG2 4.09Å; V151-L163 HydrophobicContact CG1-CB 4.27Å; V151-L163 HydrophobicContact CG1-CD1 4.45Å; V151-L163 HydrophobicContact CG1-CD2 4.2Å; V151-W165 HydrophobicContact CG1-CE3 4.31Å; V151-W165 HydrophobicContact CG2-CB 4.17Å
152Q96.4Very high93.9Very high85 Ų8590.2 Ų90.240%0.39751%0.51SS..EExtended strand (participates in β ladder)trans-116.5133.7-178.7-62.2-175.8-14.200110.3L150 K154 L163 A164L150-Q152 HydrophobicContact CD2-CG 4.13Å; L150-Q152 HydrophobicContact CG-CG 4.04Å; Q152-K154 PolarHBondContact O-N 3.03Å; Q152-L163 CarbonylContact O-C 3.57Å; Q152-L163 WeakPolarHBondContact O-CA 3.27Å; Q152-A164 PolarHBondContact N-O 3.47Å; Q152-A164 PolarHBondContact O-N 3.23Å
153A95.5Very high94.1Very high60 Ų6090.3 Ų90.350%0.49651%0.513SS..EExtended strand (participates in β ladder)trans-76.3118.2163.700000108.9V156 V161 A162 L163A153-V156 HydrophobicContact CB-CG2 4.07Å; A153-V161 HydrophobicContact CB-CG1 4.02Å; A153-A162 CarbonylContact C-O 3.44Å; A153-A162 WeakPolarHBondContact CA-O 3.41Å; A153-L163 HydrophobicContact CB-CD2 4.22Å
154K96.1Very high94.3Very high137 Ų13791 Ų9160%0.59652%0.519SS*.EExtended strand (participates in β ladder)trans-87.7-37.4177.6-69.4-65.6179.5-169.40111.9Q152 A162 A164Q152-K154 PolarHBondContact O-N 3.03Å; K154-A162 PolarHBondContact N-O 2.92Å; K154-A164 HydrophobicContact CD-CB 4.3Å; K154-A164 HydrophobicContact CG-CB 3.59Å
155E95.9Very high94.6Very high127 Ų12794.4 Ų94.459%0.59352%0.515SS*.EExtended strand (participates in β ladder)trans-143.3139.1178.9-167178.517100109.7V161 A162E155-V161 CarbonylContact O-C 3.52Å; E155-V161 WeakPolarHBondContact O-CA 3.38Å; E155-A162 HydrophobicContact CB-CB 3.98Å; E155-A162 PolarHBondContact O-N 3.45Å
156V96.3Very high94.6Very high104 Ų10497 Ų9763%0.6352%0.524SS*.EExtended strand (participates in β ladder)trans-130.6119.4179-1790000107.9A153 V161A153-V156 HydrophobicContact CB-CG2 4.07Å; V156-V161 HydrophobicContact CG1-CG2 4.31Å; V156-V161 HydrophobicContact CG2-CG1 4.28Å
157T97.1Very high94.6Very high58 Ų58102.1 Ų102.136%0.35654%0.544SS..  trans-113.3177.2172.182.80000109.7Y159 S160T157-Y159 PolarHBondContact O-N 3.45Å; T157-Y159 PolarHBondContact OG1-N 2.96Å; T157-S160 PolarHBondContact N-O 2.85Å; T157-S160 PolarHBondContact OG1-N 3.2Å; T157-S160 PolarHBondContact OG1-O 2.82Å; T157-S160 PolarHBondContact OG1-OG 3.21Å
158R97Very high94.6Very high202 Ų20298 Ų9876%0.76251%0.514SS*.SBendtrans-65.9-15.4175.170.4-178.5-64.8-156.10.9114.3
159Y96.6Very high94.4Very high183 Ų183101.6 Ų101.672%0.71853%0.534SS*.SBendtrans-129-6.2-175.1-58-54.3000113.9T157T157-Y159 PolarHBondContact O-N 3.45Å; T157-Y159 PolarHBondContact OG1-N 2.96Å
160S95.7Very high94.3Very high67 Ų67104.5 Ų104.547%0.46953%0.526SS..  trans-150.1154.7-174.465.10000112.2T157T157-S160 PolarHBondContact N-O 2.85Å; T157-S160 PolarHBondContact OG1-N 3.2Å; T157-S160 PolarHBondContact OG1-O 2.82Å; T157-S160 PolarHBondContact OG1-OG 3.21Å
161V96.5Very high94Very high85 Ų85102.3 Ų102.352%0.51552%0.517SS..EExtended strand (participates in β ladder)trans-131.3123.9169.2-179.90000107.3A153 E155 V156 L163A153-V161 HydrophobicContact CB-CG1 4.02Å; E155-V161 CarbonylContact O-C 3.52Å; E155-V161 WeakPolarHBondContact O-CA 3.38Å; V156-V161 HydrophobicContact CG1-CG2 4.31Å; V156-V161 HydrophobicContact CG2-CG1 4.28Å; V161-L163 HydrophobicContact CG1-CD2 3.76Å; V161-L163 HydrophobicContact CG1-CG 4.2Å
162A96.6Very high93.8Very high44 Ų44100.4 Ų100.436%0.36450%0.504SS..EExtended strand (participates in β ladder)trans-90.2122.9170.200000109A153 K154 E155A153-A162 CarbonylContact C-O 3.44Å; A153-A162 WeakPolarHBondContact CA-O 3.41Å; K154-A162 PolarHBondContact N-O 2.92Å; E155-A162 HydrophobicContact CB-CB 3.98Å; E155-A162 PolarHBondContact O-N 3.45Å
163L96.3Very high93.4Very high99 Ų9997.1 Ų97.152%0.51849%0.493SS..EExtended strand (participates in β ladder)trans-107.4146.5179.6-62.1174.1000110.2V151 Q152 A153 V161 W165V151-L163 HydrophobicContact CG1-CB 4.27Å; V151-L163 HydrophobicContact CG1-CD1 4.45Å; V151-L163 HydrophobicContact CG1-CD2 4.2Å; Q152-L163 CarbonylContact O-C 3.57Å; Q152-L163 WeakPolarHBondContact O-CA 3.27Å; A153-L163 HydrophobicContact CB-CD2 4.22Å; V161-L163 HydrophobicContact CG1-CD2 3.76Å; V161-L163 HydrophobicContact CG1-CG 4.2Å; L163-W165 HydrophobicContact CB-CE3 4.3Å; L163-W165 HydrophobicContact CB-CZ3 4.05Å
164A95.3Very high93Very high35 Ų3598.9 Ų98.929%0.28950%0.497SS..EExtended strand (participates in β ladder)trans-137.1143.6169.100000109.3Q152 K154Q152-A164 PolarHBondContact N-O 3.47Å; Q152-A164 PolarHBondContact O-N 3.23Å; K154-A164 HydrophobicContact CD-CB 4.3Å; K154-A164 HydrophobicContact CG-CB 3.59Å
165W94.3Very high92.3Very high150 Ų15096.5 Ų96.557%0.56849%0.49SS*.EExtended strand (participates in β ladder)trans-139.9161.3176.954.587.5000110.4I148 L150 V151 L163I148-W165 VanDerWaalsContact CD1-CD1 3.47Å; I148-W165 HydrophobicContact CD1-CG 4.04Å; I148-W165 HydrophobicContact CG2-CB 3.69Å; I148-W165 HydrophobicContact CG2-CG 4.22Å; L150-W165 WeakPolarHBondContact O-CB 3.25Å; V151-W165 HydrophobicContact CG1-CE3 4.31Å; V151-W165 HydrophobicContact CG2-CB 4.17Å; L163-W165 HydrophobicContact CB-CE3 4.3Å; L163-W165 HydrophobicContact CB-CZ3 4.05Å
166L91.9Very high91.8Very high131 Ų13197.8 Ų97.869%0.68650%0.5SS*.PPolyproline II helixtrans-85.2157.3172.1-63.6175.9000110.1
167E89.6Confident90.4Very high147 Ų147105.8 Ų105.869%0.68753%0.531SS*.PPolyproline II helixtrans-56.8150.1168.3-72.4-174.9174.500110.8I175E167-I175 HydrophobicContact CG-CD1 4.32Å
168P90.6Very high90Very high17 Ų17108.2 Ų108.211%0.1154%0.54CS..PPolyproline II helixtrans-56141.7171.6-21.932.7000111.4P145 S146 I148 R170 P171 I175P145-P168 HydrophobicContact CB-CB 4.35Å; P145-P168 HydrophobicContact CB-CG 4.09Å; S146-P168 WeakPolarHBondContact O-CB 3.4Å; S146-P168 VanDerWaalsContact OG-CB 3.31Å; S146-P168 WeakPolarHBondContact OG-CB 3.28Å; I148-P168 HydrophobicContact CG1-CG 4.18Å; P168-R170 PolarHBondContact O-N 2.91Å; P168-P171 WeakPolarHBondContact O-CD 3.46Å; P168-I175 HydrophobicContact CG-CD1 4.44Å
169D88.8Confident89.7Confident144 Ų144103.3 Ų103.377%0.7753%0.528SS*.SBendtrans-53.2-31.4174.6-68.8-23.7000112.5S146S146-D169 PolarHBondContact OG-N 3.33Å
170R87Confident89.3Confident151 Ų15198.8 Ų98.857%0.5752%0.517SS*.  trans-129.495.7174.2-61.1-174.8-173.7-160.53109.8P145 S146 P168 N172P145-R170 WeakPolarHBondContact CA-O 3.49Å; S146-R170 PolarHBondContact N-O 3.49Å; S146-R170 PolarHBondContact OG-N 3.19Å; S146-R170 PolarHBondContact OG-O 3.06Å; P168-R170 PolarHBondContact O-N 2.91Å; R170-N172 PolarHBondContact O-N 3.43Å
171P86.8Confident88.9Confident44 Ų44100.7 Ų100.729%0.28652%0.52SS..  trans-62.3-27.2174.5-25.236.1000112.7P145 P168 G173 I175P145-P171 WeakPolarHBondContact CB-O 3.26Å; P168-P171 WeakPolarHBondContact O-CD 3.46Å; P171-G173 WeakPolarHBondContact CB-O 3.35Å; P171-G173 PolarHBondContact O-N 3.22Å; P171-I175 HydrophobicContact CB-CD1 4.19Å; P171-I175 HydrophobicContact CB-CG1 4.24Å
172N90.1Very high88.4Confident39 Ų39101.7 Ų101.721%0.20952%0.52CS..  trans51.822.3-178.1-69.2-23.6000114.1A109 Q142 A143 A144 R170A109-N172 HydrophobicContact CB-CB 3.81Å; Q142-N172 CarbonylContact C-O 3.57Å; Q142-N172 WeakPolarHBondContact CA-O 3.33Å; Q142-N172 WeakPolarHBondContact CB-O 3.25Å; A143-N172 HydrophobicContact CB-CB 4.07Å; A143-N172 PolarHBondContact N-O 2.92Å; A143-N172 WeakPolarHBondContact O-CB 3.4Å; A144-N172 PolarHBondContact O-ND2 2.8Å; R170-N172 PolarHBondContact O-N 3.43Å
173G87.8Confident87.9Confident15 Ų15105.5 Ų105.516%0.15553%0.531CS..SBendtrans159.1-176.4-172.100000112Q142 P171Q142-G173 VanDerWaalsContact OE1-CA 3.28Å; P171-G173 WeakPolarHBondContact CB-O 3.35Å; P171-G173 PolarHBondContact O-N 3.22Å
174V87Confident87.3Confident97 Ų97106 Ų10659%0.58853%0.532SS*.PPolyproline II helixtrans-77.5125.1167.6179.50000108.8
175I81.8Confident86.7Confident88 Ų88111.5 Ų111.545%0.45155%0.55SS.*PPolyproline II helixtrans-77.4127.4173.6-58.8173.2000107.9E167 P168 P171E167-I175 HydrophobicContact CG-CD1 4.32Å; P168-I175 HydrophobicContact CG-CD1 4.44Å; P171-I175 HydrophobicContact CB-CD1 4.19Å; P171-I175 HydrophobicContact CB-CG1 4.24Å
176L84.9Confident86Confident153 Ų153108.3 Ų108.380%0.80155%0.549SS*.PPolyproline II helixtrans-94.1142.2178.2-57.4176.1000110
177E66.4Low85.5Confident273 Ų273106.2 Ų106.2100%1.27654%0.537SS*.  trans-80.80175.7-68.4-171.216300113.3

Retrieved 177 of 177 residues in 285.7 ms (Link to these results)