A0A077ZCF6_TRITR Loading...

Abnormal cell migration protein 18-like fibronectin type I domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZCF6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 294 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
1M55.2Low58.3Low234 Ų234139.9 Ų139.9100%1.15370%0.7SS**  071.90-71.3168.593.400110.1
2Y59.8Low58.2Low213 Ų213138.8 Ų138.884%0.83570%0.696SS**  trans-129.94-176.2-84.5-79000114.6
3V57.6Low58Low118 Ų118142.8 Ų142.872%0.71570%0.698SS**THydrogen-bonded Turntrans-86.2-19.9-170.1-168.30000113.2
4Y55.6Low57.4Low219 Ų219137 Ų13786%0.85969%0.693SS**Hα-helixtrans-83.3-10.8-179.2-80.1-82.2000114.9
5S61.4Low57.1Low77 Ų77133.4 Ų133.454%0.53869%0.693SS.*Hα-helixtrans-82-22.9-178.4-167.50000113.5I9S5-I9 WeakPolarHBondContact O-CG1 3.5Å
6A58.5Low56.8Low59 Ų59135.4 Ų135.449%0.48870%0.698SS.*Hα-helixtrans-80.3-31-177.700000112.8I9 L10A6-I9 PolarHBondContact O-N 3.07Å; A6-L10 PolarHBondContact O-N 3.46Å
7F59.7Low56.5Low146 Ų146132.9 Ų132.964%0.6470%0.702SS**Hα-helixtrans-72.1-31.6179.6-93.2-85.7000113.3I9 L10 L11F7-I9 VanDerWaalsContact C-N 3.33Å; F7-I9 PolarHBondContact O-N 2.8Å; F7-L10 PolarHBondContact O-N 2.81Å; F7-L11 PolarHBondContact O-N 2.87Å
8L57.5Low56.1Low120 Ų120134.2 Ų134.263%0.62871%0.709SS**Hα-helixtrans-69.7-31177-128.890000112.5L12L8-L12 PolarHBondContact O-N 2.85Å
9I60.1Low55.8Low90 Ų90138.7 Ų138.746%0.46272%0.716SS.*Hα-helixtrans-74.4-31.4179.7-61.7171.3000111.1S5 A6 F7 R13S5-I9 WeakPolarHBondContact O-CG1 3.5Å; A6-I9 PolarHBondContact O-N 3.07Å; F7-I9 VanDerWaalsContact C-N 3.33Å; F7-I9 PolarHBondContact O-N 2.8Å; I9-R13 PolarHBondContact O-N 3.1Å
10L59.2Low55.4Low125 Ų125142.1 Ų142.165%0.65473%0.725SS**Hα-helixtrans-73.6-32.8176.6-85.2156.7000112.9A6 F7A6-L10 PolarHBondContact O-N 3.46Å; F7-L10 PolarHBondContact O-N 2.81Å
11L57.2Low55Low138 Ų138140 Ų14072%0.72372%0.723SS**Hα-helixtrans-73.5-29.4176.7-70.1172.7000113F7F7-L11 PolarHBondContact O-N 2.87Å
12L57.4Low54.4Low126 Ų126134.5 Ų134.566%0.6671%0.708SS**Hα-helixtrans-77.4-29.7177.5-71.9166.4000113L8 G14L8-L12 PolarHBondContact O-N 2.85Å; L12-G14 VanDerWaalsContact C-N 3.34Å; L12-G14 PolarHBondContact O-N 3.24Å
13R55.5Low53.8Low192 Ų192129.8 Ų129.873%0.72570%0.701SS**Hα-helixtrans-76.9-16177-75.7-175.7172.4163.6-0.8114.4I9I9-R13 PolarHBondContact O-N 3.1Å
14G48.6Very low53.2Low61 Ų61129.4 Ų129.463%0.62970%0.701SS**THydrogen-bonded Turntrans-75.9-20.6176.400000114.7L12L12-G14 VanDerWaalsContact C-N 3.34Å; L12-G14 PolarHBondContact O-N 3.24Å
15A52.8Low52.5Low83 Ų83127.2 Ų127.269%0.68670%0.703SS**SBendtrans-87.1-16.9-17400000114.2
16E52.6Low51.1Low166 Ų166134.6 Ų134.678%0.77672%0.719SS**SBendtrans-92.7-11.6-176.2-69-172.8154.900114.1N18E16-N18 VanDerWaalsContact C-N 3.3Å; E16-N18 PolarHBondContact O-N 2.92Å
17A51.9Low50Low92 Ų92140.7 Ų140.776%0.7673%0.734SS**THydrogen-bonded Turntrans-79.3-2-17400000115.2
18N49.8Very low48.9Very low157 Ų157138.8 Ų138.884%0.8474%0.735SS**THydrogen-bonded Turntrans-111.816.8-173.6-134.7-13.7000115.1E16E16-N18 VanDerWaalsContact C-N 3.3Å; E16-N18 PolarHBondContact O-N 2.92Å
19R49.2Very low47.8Very low219 Ų219139.9 Ų139.983%0.82674%0.74SS**  trans-100.317.6-172.7-138.9178.1-171.2176.71.5115.6
20K49.5Very low46.9Very low207 Ų207144.4 Ų144.490%0.976%0.756SS**  trans-131.432.4-173.7-71.9-169.6178.9-1790116.8
21S46.3Very low45.9Very low99 Ų99146.1 Ų146.169%0.69276%0.761SS**  trans-121.178.6165.4-160.70000110.9V23S21-V23 PolarHBondContact O-N 3.18Å; S21-V23 VanDerWaalsContact O-N 3.07Å
22S43.3Very low45.2Very low118 Ų118148.4 Ų148.483%0.82577%0.768SS**  trans-75.278.9161.154.20000108
23V47.3Very low44.7Very low114 Ų114151 Ų15169%0.69177%0.774SS**  trans-64.1127.2161.3-179.90000106.1S21 L25S21-V23 PolarHBondContact O-N 3.18Å; S21-V23 VanDerWaalsContact O-N 3.07Å; V23-L25 PolarHBondContact O-N 3.04Å; V23-L25 VanDerWaalsContact O-N 3.17Å
24P43.5Very low44.6Very low110 Ų110146.2 Ų146.271%0.71478%0.776SS**  trans-56.5127177.722.6-31.3000108.4R26P24-R26 PolarHBondContact O-N 2.85Å
25L40.4Very low44.9Very low172 Ų172149.3 Ų149.390%0.90178%0.777SS**  trans-53.3101.9175.1-147.3104.3000107.1V23 K27V23-L25 PolarHBondContact O-N 3.04Å; V23-L25 VanDerWaalsContact O-N 3.17Å; L25-K27 PolarHBondContact O-N 3.07Å
26R33.5Very low45.1Very low232 Ų232153.1 Ų153.188%0.87578%0.781SS**  trans-64.5108177.1-157.5178.9-168.3-169.83.1104.8P24 V28P24-R26 PolarHBondContact O-N 2.85Å; R26-V28 VanDerWaalsContact C-N 3.35Å; R26-V28 PolarHBondContact O-N 3.46Å
27K34.1Very low45.5Very low187 Ų187155.3 Ų155.381%0.81378%0.782SS**  trans-49.8102.8172.8-126.7178.9-178.1-178.90106.5L25 I29L25-K27 PolarHBondContact O-N 3.07Å; K27-I29 PolarHBondContact O-N 2.8Å
28V36.3Very low46.1Very low107 Ų107158.1 Ų158.165%0.64878%0.78SS**  trans-71.892.8168-179.40000103.9R26 F30R26-V28 VanDerWaalsContact C-N 3.35Å; R26-V28 PolarHBondContact O-N 3.46Å; V28-F30 VanDerWaalsContact C-N 3.26Å; V28-F30 HydrophobicContact CB-CD2 4.5Å; V28-F30 HydrophobicContact CB-CE2 4.36Å; V28-F30 HydrophobicContact CG1-CD2 3.87Å; V28-F30 HydrophobicContact CG1-CE2 3.76Å; V28-F30 HydrophobicContact CG1-CG 4.41Å; V28-F30 HydrophobicContact CG1-CZ 4.21Å; V28-F30 PolarHBondContact O-N 2.86Å
29I36.4Very low47Very low143 Ų143158.2 Ų158.273%0.73377%0.772SS**  trans-64.7100.6162.6-59.7174.2000103.5K27 E31K27-I29 PolarHBondContact O-N 2.8Å; I29-E31 PolarHBondContact O-N 3.28Å
30F39.7Very low48.3Very low184 Ų184149.9 Ų149.981%0.80775%0.747SS**  trans-65.398.5162.7-82.8-88000105.6V28 E32V28-F30 VanDerWaalsContact C-N 3.26Å; V28-F30 HydrophobicContact CB-CD2 4.5Å; V28-F30 HydrophobicContact CB-CE2 4.36Å; V28-F30 HydrophobicContact CG1-CD2 3.87Å; V28-F30 HydrophobicContact CG1-CE2 3.76Å; V28-F30 HydrophobicContact CG1-CG 4.41Å; V28-F30 HydrophobicContact CG1-CZ 4.21Å; V28-F30 PolarHBondContact O-N 2.86Å; F30-E32 VanDerWaalsContact C-N 3.35Å; F30-E32 PolarHBondContact O-N 3.05Å
31E39.1Very low49.2Very low161 Ų161147 Ų14775%0.75274%0.737SS**  trans-64.8103.4164-162.3174.9-155.100105.8I29 K33I29-E31 PolarHBondContact O-N 3.28Å; E31-K33 PolarHBondContact O-N 2.83Å
32E42.4Very low50.1Low187 Ų187149.2 Ų149.287%0.87474%0.741SS**  trans-62.985.1171.5-172.1174-173.500107.3F30 A34F30-E32 VanDerWaalsContact C-N 3.35Å; F30-E32 PolarHBondContact O-N 3.05Å; E32-A34 PolarHBondContact O-N 2.78Å
33K47.3Very low50.9Low180 Ų180146.3 Ų146.378%0.78372%0.718SS**  trans-62.5121.9170.7-88.4-173.1175.3-178.30107.5E31 D35E31-K33 PolarHBondContact O-N 2.83Å; K33-D35 PolarHBondContact O-N 2.95Å
34A53.6Low51.4Low92 Ų92147 Ų14776%0.7672%0.722SS**  trans-42132.3179.200000111.9E32 H36E32-A34 PolarHBondContact O-N 2.78Å; A34-H36 VanDerWaalsContact C-N 3.31Å; A34-H36 PolarHBondContact O-N 2.96Å
35D53.3Low52.1Low125 Ų125144.5 Ų144.567%0.66871%0.708SS**  trans-33.177.7173-167.216.3000114.3K33 R37K33-D35 PolarHBondContact O-N 2.95Å; D35-R37 PolarHBondContact O-N 3.12Å; D35-R37 VanDerWaalsContact O-N 3.16Å; D35-R37 WeakPolarHBondContact OD1-CB 3.42Å; D35-R37 WeakPolarHBondContact OD1-CD 3.43Å; D35-R37 VanDerWaalsContact OD1-CG 3.22Å; D35-R37 WeakPolarHBondContact OD1-CG 3.4Å
36H58.4Low52.8Low164 Ų164142.1 Ų142.176%0.75970%0.695SS**  trans-86.370.5162.2-121.747000108.2A34 E38A34-H36 VanDerWaalsContact C-N 3.31Å; A34-H36 PolarHBondContact O-N 2.96Å; H36-E38 PolarHBondContact O-N 2.86Å
37R60.8Low54Low211 Ų211140.4 Ų140.480%0.79670%0.697SS**  trans-69.751164.9-109.2178.7179.4-167.63.8110.7D35 K39D35-R37 PolarHBondContact O-N 3.12Å; D35-R37 VanDerWaalsContact O-N 3.16Å; D35-R37 WeakPolarHBondContact OD1-CB 3.42Å; D35-R37 WeakPolarHBondContact OD1-CD 3.43Å; D35-R37 VanDerWaalsContact OD1-CG 3.22Å; D35-R37 WeakPolarHBondContact OD1-CG 3.4Å; R37-K39 PolarHBondContact O-N 2.89Å
38E64.3Low55.3Low152 Ų152139 Ų13971%0.7169%0.694SS**  trans-70.791.9156.6-97-176.2156.300106.3H36 C40H36-E38 PolarHBondContact O-N 2.86Å; E38-C40 PolarHBondContact O-N 2.85Å
39K67.3Low56.6Low159 Ų159136.3 Ų136.369%0.69168%0.677SS**  trans-44.5133.5171.8-67.8172175178.30108R37 H41R37-K39 PolarHBondContact O-N 2.89Å; K39-H41 WeakPolarHBondContact CB-CD2 3.49Å; K39-H41 VanDerWaalsContact CD-CD2 3.47Å; K39-H41 WeakPolarHBondContact CD-CD2 3.46Å; K39-H41 PolarHBondContact O-N 3.23Å
40C76.5Confident58.6Low44 Ų44137 Ų13730%0.29768%0.682SS.*SBendtrans-65.744.8179.4-32.20000113.4E38 V43 K78 C81E38-C40 PolarHBondContact O-N 2.85Å; C40-V43 HydrophobicContact CB-CG2 4.07Å; C40-K78 PolarHBondContact SG-O 3.28Å; C40-C81 HydrophobicContact CB-CB 3.98Å; C40-C81 WeakPolarHBondContact CB-SG 3.44Å; C40-C81 VanDerWaalsContact SG-CA 3.55Å; C40-C81 WeakPolarHBondContact SG-CB 3.4Å; C40-C81 CovalentContact SG-SG 2.03Å; C40-C81 PolarHBondContact SG-SG 2.89Å
41H69.3Low61Low146 Ų146128.7 Ų128.768%0.67665%0.648SS**THydrogen-bonded Turntrans-80.6-15.9-168.6-87.8-53.7000114K39K39-H41 WeakPolarHBondContact CB-CD2 3.49Å; K39-H41 VanDerWaalsContact CD-CD2 3.47Å; K39-H41 WeakPolarHBondContact CD-CD2 3.46Å; K39-H41 PolarHBondContact O-N 3.23Å
42D65.7Low63.6Low146 Ų146121 Ų12178%0.78161%0.612SS**THydrogen-bonded Turntrans-117.944179.2-74.9-40.5000112.8T44D42-T44 PolarHBondContact O-N 3.24Å
43V58.9Low66.1Low56 Ų56117 Ų11734%0.33960%0.601SS.*  trans-79.554.1165.6-160.70000109.6C40 S45 L46 F76C40-V43 HydrophobicContact CB-CG2 4.07Å; V43-S45 PolarHBondContact O-N 2.56Å; V43-L46 HydrophobicContact CG1-CD1 4.05Å; V43-F76 HydrophobicContact CG2-CZ 4.27Å
44T58.7Low68.3Low128 Ų128109.9 Ų109.979%0.78557%0.571SS**  trans-83.81.2173.8-23.20000111.3D42D42-T44 PolarHBondContact O-N 3.24Å
45S57.6Low70.1Confident59 Ų59111.4 Ų111.441%0.41356%0.56SS.*  trans-11767.5169.6173.80000109.3V43 E47V43-S45 PolarHBondContact O-N 2.56Å; S45-E47 PolarHBondContact O-N 3.27Å
46L56.4Low72Confident122 Ų122113.9 Ų113.964%0.63957%0.574SS**G310 helixtrans-63.8-16.8171-142.192.4000111.4V43 Q48 V49V43-L46 HydrophobicContact CG1-CD1 4.05Å; L46-Q48 VanDerWaalsContact C-N 3.33Å; L46-Q48 PolarHBondContact O-N 2.9Å; L46-V49 WeakPolarHBondContact O-CB 3.12Å; L46-V49 WeakPolarHBondContact O-CG2 3.43Å; L46-V49 PolarHBondContact O-N 2.92Å
47E57.5Low73.8Confident196 Ų196112.6 Ų112.692%0.91657%0.566SS**G310 helixtrans-71.7-17.8-178.3-73.6-174.7146.700114.6S45S45-E47 PolarHBondContact O-N 3.27Å
48Q62Low75.4Confident158 Ų158107.1 Ų107.174%0.73856%0.556SS**G310 helixtrans-95.27.1174.9-79.4-176.8-800114.2L46 L50L46-Q48 VanDerWaalsContact C-N 3.33Å; L46-Q48 PolarHBondContact O-N 2.9Å; Q48-L50 VanDerWaalsContact C-N 3.29Å; Q48-L50 PolarHBondContact O-N 2.86Å
49V64Low76.9Confident49 Ų49102.1 Ų102.130%0.29753%0.531SS..  trans-77.885.7176.7-175.50000108.6L46 G51 V83L46-V49 WeakPolarHBondContact O-CB 3.12Å; L46-V49 WeakPolarHBondContact O-CG2 3.43Å; L46-V49 PolarHBondContact O-N 2.92Å; V49-G51 PolarHBondContact O-N 2.77Å; V49-V83 HydrophobicContact CG1-CB 3.92Å; V49-V83 HydrophobicContact CG1-CG1 3.16Å; V49-V83 HydrophobicContact CG1-CG2 3.51Å
50L77.5Confident78.2Confident159 Ų15998.1 Ų98.183%0.83252%0.523SS*.  trans-62.213.7-172.9-77.3164.8000116Q48 T58Q48-L50 VanDerWaalsContact C-N 3.29Å; Q48-L50 PolarHBondContact O-N 2.86Å; L50-T58 WeakPolarHBondContact O-CG2 3.49Å
51G91.1Very high78.9Confident9 Ų9101.7 Ų101.79%0.09353%0.531CS..  trans85.1174.2179.900000114V49 P53 Y59 V83V49-G51 PolarHBondContact O-N 2.77Å; G51-P53 WeakPolarHBondContact O-CD 3.38Å; G51-Y59 CarbonylContact C-O 3.57Å; G51-Y59 VanDerWaalsContact C-O 3.28Å; G51-Y59 WeakPolarHBondContact CA-O 3.39Å; G51-V83 WeakPolarHBondContact O-CG2 3.4Å
52C93.7Very high80.1Confident0 Ų099 Ų990%052%0.521CS..EExtended strand (participates in β ladder)trans-88.1118.7-178.2-59.10000111.1F54 T58 Y59 C74 T84 M85C52-F54 PolarHBondContact O-N 3.25Å; C52-T58 WeakPolarHBondContact O-CA 3.38Å; C52-Y59 PolarHBondContact N-O 3.49Å; C52-Y59 PolarHBondContact O-N 2.87Å; C52-C74 HydrophobicContact CB-CB 3.73Å; C52-C74 WeakPolarHBondContact CB-SG 3.37Å; C52-C74 PolarHBondContact N-SG 3.32Å; C52-C74 WeakPolarHBondContact SG-CA 3.16Å; C52-C74 WeakPolarHBondContact SG-CB 2.86Å; C52-C74 CovalentContact SG-SG 2.02Å; C52-C74 PolarHBondContact SG-SG 3.49Å; C52-T84 PolarHBondContact SG-N 2.05Å; C52-T84 VanDerWaalsContact SG-N 3.44Å; C52-T84 PolarHBondContact SG-O 2.75Å; C52-T84 VanDerWaalsContact SG-O 3.32Å; C52-M85 HydrophobicContact CB-CG 3.68Å; C52-M85 HydrophobicContact CB-SD 3.55Å; C52-M85 VanDerWaalsContact CB-SD 3.55Å
53P93.3Very high81.6Confident101 Ų10195 Ų9566%0.65650%0.501SS*.EExtended strand (participates in β ladder)trans-70.8126.517028.7-32.8000110.2G51G51-P53 WeakPolarHBondContact O-CD 3.38Å
54F94Very high83.4Confident31 Ų3198 Ų9814%0.13651%0.509CS..EExtended strand (participates in β ladder)trans-154.9121.4-178.6-169.3-115000111.2C52 N56 K57 Y59 V65 H67 Y72 M85C52-F54 PolarHBondContact O-N 3.25Å; F54-N56 PolarHBondContact O-N 2.92Å; F54-K57 PolarHBondContact N-O 3.06Å; F54-K57 PolarHBondContact O-N 2.79Å; F54-K57 VanDerWaalsContact O-O 3.06Å; F54-Y59 HydrophobicContact CB-CD2 3.8Å; F54-Y59 HydrophobicContact CB-CE2 3.74Å; F54-Y59 AromaticContact CD1-CE2 3.98Å; F54-Y59 HydrophobicContact CD1-CE2 3.98Å; F54-Y59 HydrophobicContact CG-CE2 4.37Å; F54-Y59 WeakPolarHBondContact O-CE2 3.47Å; F54-V65 HydrophobicContact CD1-CB 4.47Å; F54-V65 HydrophobicContact CD1-CG1 4.1Å; F54-V65 HydrophobicContact CE1-CB 4.39Å; F54-V65 HydrophobicContact CE1-CG1 4Å; F54-H67 HydrophobicContact CE1-CB 4Å; F54-H67 HydrophobicContact CZ-CB 4.17Å; F54-Y72 HydrophobicContact CE1-CD2 4.07Å; F54-Y72 HydrophobicContact CE1-CE2 4.44Å; F54-Y72 HydrophobicContact CE1-CG 4.31Å; F54-Y72 HydrophobicContact CE2-CD1 4.13Å; F54-Y72 HydrophobicContact CE2-CE1 4.17Å; F54-Y72 HydrophobicContact CE2-CG 4.33Å; F54-Y72 AromaticContact CZ-CD1 3.95Å; F54-Y72 HydrophobicContact CZ-CD1 3.95Å; F54-Y72 AromaticContact CZ-CD2 3.6Å; F54-Y72 HydrophobicContact CZ-CD2 3.6Å; F54-Y72 HydrophobicContact CZ-CE1 4.03Å; F54-Y72 AromaticContact CZ-CE2 3.68Å; F54-Y72 HydrophobicContact CZ-CE2 3.68Å; F54-Y72 AromaticContact CZ-CG 3.74Å; F54-Y72 HydrophobicContact CZ-CG 3.74Å; F54-Y72 AromaticContact CZ-CZ 3.9Å; F54-M85 HydrophobicContact CB-CE 4.2Å; F54-M85 HydrophobicContact CB-CG 3.68Å; F54-M85 HydrophobicContact CD1-CE 3.72Å; F54-M85 HydrophobicContact CD1-CG 4.48Å; F54-M85 HydrophobicContact CD2-CB 3.92Å; F54-M85 HydrophobicContact CD2-CE 4.44Å; F54-M85 HydrophobicContact CD2-CG 3.65Å; F54-M85 HydrophobicContact CE1-CE 4.13Å; F54-M85 HydrophobicContact CE2-CB 4.24Å; F54-M85 HydrophobicContact CE2-CG 4.35Å; F54-M85 HydrophobicContact CG-CB 4.47Å; F54-M85 HydrophobicContact CG-CE 3.9Å; F54-M85 HydrophobicContact CG-CG 3.72Å
55F91.2Very high85.3Confident124 Ų12492.7 Ų92.754%0.54448%0.476SS..THydrogen-bonded Turntrans44.257.9-178.8-67.2-80.7000114.5K57 H67F55-K57 PolarHBondContact O-N 2.85Å; F55-K57 VanDerWaalsContact O-N 3.12Å; F55-H67 AromaticContact CE1-CE1 3.77Å; F55-H67 AromaticContact CE1-NE2 3.44Å; F55-H67 WeakPolarHBondContact CE1-NE2 2.99Å; F55-H67 HydrophobicContact CE2-CB 4.36Å; F55-H67 AromaticContact CE2-CD2 3.25Å; F55-H67 WeakPolarHBondContact CE2-CD2 3.48Å; F55-H67 AromaticContact CE2-CE1 3.93Å; F55-H67 AromaticContact CE2-CG 3.63Å; F55-H67 AromaticContact CE2-NE2 3.48Å; F55-H67 WeakPolarHBondContact CE2-NE2 3.35Å; F55-H67 AromaticContact CZ-CD2 3.27Å; F55-H67 WeakPolarHBondContact CZ-CD2 2.99Å; F55-H67 AromaticContact CZ-CE1 3.69Å; F55-H67 AromaticContact CZ-NE2 3.03Å; F55-H67 WeakPolarHBondContact CZ-NE2 3.24Å
56N93Very high87.1Confident177 Ų17794.2 Ų94.295%0.94748%0.483SS*.THydrogen-bonded Turntrans61.114.8179-57.7-16.9000115.5F54F54-N56 PolarHBondContact O-N 2.92Å
57K96.3Very high89Confident137 Ų13790.8 Ų90.860%0.59646%0.464SS*.EExtended strand (participates in β ladder)trans-125.2157.7171.1-66.1-174.6178.9-177.20109.7F54 F55 Y59F54-K57 PolarHBondContact N-O 3.06Å; F54-K57 PolarHBondContact O-N 2.79Å; F54-K57 VanDerWaalsContact O-O 3.06Å; F55-K57 PolarHBondContact O-N 2.85Å; F55-K57 VanDerWaalsContact O-N 3.12Å; K57-Y59 HydrophobicContact CB-CE2 3.78Å
58T95.5Very high90.7Very high96 Ų9687 Ų8759%0.58945%0.45SS*.EExtended strand (participates in β ladder)trans-113.7128.7174.2-540000108.2L50 C52L50-T58 WeakPolarHBondContact O-CG2 3.49Å; C52-T58 WeakPolarHBondContact O-CA 3.38Å
59Y95.7Very high92.3Very high47 Ų4786.2 Ų86.218%0.18445%0.446CS..EExtended strand (participates in β ladder)trans-110.5139.3-176.5-65.1-85.5000110.1G51 C52 F54 K57 D63 V65 M85G51-Y59 CarbonylContact C-O 3.57Å; G51-Y59 VanDerWaalsContact C-O 3.28Å; G51-Y59 WeakPolarHBondContact CA-O 3.39Å; C52-Y59 PolarHBondContact N-O 3.49Å; C52-Y59 PolarHBondContact O-N 2.87Å; F54-Y59 HydrophobicContact CB-CD2 3.8Å; F54-Y59 HydrophobicContact CB-CE2 3.74Å; F54-Y59 AromaticContact CD1-CE2 3.98Å; F54-Y59 HydrophobicContact CD1-CE2 3.98Å; F54-Y59 HydrophobicContact CG-CE2 4.37Å; F54-Y59 WeakPolarHBondContact O-CE2 3.47Å; K57-Y59 HydrophobicContact CB-CE2 3.78Å; Y59-D63 HydrophobicContact CD1-CB 4.4Å; Y59-V65 HydrophobicContact CD1-CG2 3.24Å; Y59-V65 HydrophobicContact CD2-CG2 4Å; Y59-V65 HydrophobicContact CE1-CB 4.29Å; Y59-V65 HydrophobicContact CE1-CG1 4.1Å; Y59-V65 HydrophobicContact CE1-CG2 3.18Å; Y59-V65 HydrophobicContact CE2-CG1 4.44Å; Y59-V65 HydrophobicContact CE2-CG2 3.96Å; Y59-V65 HydrophobicContact CG-CG2 3.65Å; Y59-M85 HydrophobicContact CD2-CE 4.34Å
60S94.1Very high93.8Very high75 Ų7584.6 Ų84.652%0.52444%0.435SS..  trans-66.5159.8178.8-56.70000111.1N62 D63 C74S60-N62 PolarHBondContact O-N 3.03Å; S60-D63 WeakPolarHBondContact CB-OD2 3.13Å; S60-D63 PolarHBondContact N-OD2 2.88Å; S60-D63 VanDerWaalsContact O-CB 3.24Å; S60-D63 WeakPolarHBondContact O-CB 3.34Å; S60-D63 PolarHBondContact O-N 3.45Å; S60-C74 VanDerWaalsContact O-CB 3.28Å; S60-C74 WeakPolarHBondContact O-CB 3.38Å; S60-C74 PolarHBondContact O-SG 3.26Å; S60-C74 VanDerWaalsContact O-SG 3.35Å
61Y92.3Very high94.7Very high119 Ų11977.4 Ų77.447%0.46740%0.397SS..THydrogen-bonded Turntrans-54.5135.6171.8179.4-108.7000110.6D63 F76 V83Y61-D63 PolarHBondContact O-N 3.07Å; Y61-F76 HydrophobicContact CE2-CB 4.22Å; Y61-V83 HydrophobicContact CD2-CG1 4.28Å
62N93.6Very high95Very high89 Ų8978 Ų7848%0.47640%0.397SS..THydrogen-bonded Turntrans69.80.3-172.4-61-36.1000117.2S60 L73 C74S60-N62 PolarHBondContact O-N 3.03Å; N62-L73 WeakPolarHBondContact O-CD1 3.03Å; N62-C74 WeakPolarHBondContact CA-O 3.19Å; N62-C74 PolarHBondContact N-O 2.98Å
63D97Very high95.1Very high64 Ų6479.7 Ų79.734%0.34241%0.406SS..  trans-62.4141.6172.2-78.6-6.5000110.7Y59 S60 Y61 C74Y59-D63 HydrophobicContact CD1-CB 4.4Å; S60-D63 WeakPolarHBondContact CB-OD2 3.13Å; S60-D63 PolarHBondContact N-OD2 2.88Å; S60-D63 VanDerWaalsContact O-CB 3.24Å; S60-D63 WeakPolarHBondContact O-CB 3.34Å; S60-D63 PolarHBondContact O-N 3.45Å; Y61-D63 PolarHBondContact O-N 3.07Å; D63-C74 PolarHBondContact O-N 2.7Å
64K97.5Very high95.2Very high118 Ų11874.9 Ų74.951%0.51338%0.375SS..EExtended strand (participates in β ladder)trans-109.3136.9174.1-60.8-172.1-174.21800110.4E71 Y72 L73 I88K64-E71 VanDerWaalsContact CD-OE1 3.3Å; K64-E71 WeakPolarHBondContact CD-OE1 3.01Å; K64-Y72 VanDerWaalsContact CA-O 3.27Å; K64-Y72 WeakPolarHBondContact CA-O 3.28Å; K64-L73 HydrophobicContact CG-CD1 3.9Å; K64-I88 HydrophobicContact CD-CD1 4.41Å
65V97.1Very high95.2Very high16 Ų1675.1 Ų75.110%0.09738%0.379CS..EExtended strand (participates in β ladder)trans-134.4135.6-177-173.20000109.3F54 Y59 Y72 M85F54-V65 HydrophobicContact CD1-CB 4.47Å; F54-V65 HydrophobicContact CD1-CG1 4.1Å; F54-V65 HydrophobicContact CE1-CB 4.39Å; F54-V65 HydrophobicContact CE1-CG1 4Å; Y59-V65 HydrophobicContact CD1-CG2 3.24Å; Y59-V65 HydrophobicContact CD2-CG2 4Å; Y59-V65 HydrophobicContact CE1-CB 4.29Å; Y59-V65 HydrophobicContact CE1-CG1 4.1Å; Y59-V65 HydrophobicContact CE1-CG2 3.18Å; Y59-V65 HydrophobicContact CE2-CG1 4.44Å; Y59-V65 HydrophobicContact CE2-CG2 3.96Å; Y59-V65 HydrophobicContact CG-CG2 3.65Å; V65-Y72 PolarHBondContact N-O 3.21Å; V65-Y72 PolarHBondContact O-N 2.98Å; V65-M85 HydrophobicContact CB-CE 3.77Å; V65-M85 HydrophobicContact CG2-CE 3.55Å
66V96.8Very high95.1Very high91 Ų9171.7 Ų71.755%0.55236%0.364SS*.EExtended strand (participates in β ladder)trans-100.3127.8172.7177.20000109.5I70 E71 L91V66-I70 WeakPolarHBondContact CA-O 3.46Å; V66-E71 HydrophobicContact CG2-CG 4.42Å; V66-L91 HydrophobicContact CB-CD1 4.24Å; V66-L91 HydrophobicContact CG1-CD1 3.43Å; V66-L91 VanDerWaalsContact CG1-CD1 3.43Å; V66-L91 HydrophobicContact CG2-CD1 3.76Å
67H95.3Very high94.9Very high51 Ų5164.8 Ų64.824%0.23633%0.329CS..EExtended strand (participates in β ladder)trans-144.3132173.4-17574.5000110.1F54 F55 H69 I70 Y72F54-H67 HydrophobicContact CE1-CB 4Å; F54-H67 HydrophobicContact CZ-CB 4.17Å; F55-H67 AromaticContact CE1-CE1 3.77Å; F55-H67 AromaticContact CE1-NE2 3.44Å; F55-H67 WeakPolarHBondContact CE1-NE2 2.99Å; F55-H67 HydrophobicContact CE2-CB 4.36Å; F55-H67 AromaticContact CE2-CD2 3.25Å; F55-H67 WeakPolarHBondContact CE2-CD2 3.48Å; F55-H67 AromaticContact CE2-CE1 3.93Å; F55-H67 AromaticContact CE2-CG 3.63Å; F55-H67 AromaticContact CE2-NE2 3.48Å; F55-H67 WeakPolarHBondContact CE2-NE2 3.35Å; F55-H67 AromaticContact CZ-CD2 3.27Å; F55-H67 WeakPolarHBondContact CZ-CD2 2.99Å; F55-H67 AromaticContact CZ-CE1 3.69Å; F55-H67 AromaticContact CZ-NE2 3.03Å; F55-H67 WeakPolarHBondContact CZ-NE2 3.24Å; H67-H69 VanDerWaalsContact C-N 3.3Å; H67-H69 PolarHBondContact O-N 3.41Å; H67-I70 PolarHBondContact N-O 3.25Å; H67-I70 PolarHBondContact O-N 3.3Å; H67-Y72 HydrophobicContact CB-CD2 4.37Å; H67-Y72 HydrophobicContact CB-CE2 3.97Å
68N94.5Very high94.3Very high117 Ų11766.6 Ų66.663%0.62634%0.337SS*.THydrogen-bonded Turntrans4647.7-179.9-62.9-18.1000114.4I70N68-I70 PolarHBondContact O-N 3.39Å
69H95.4Very high93.7Very high141 Ų14171.2 Ų71.265%0.65335%0.352SS*.THydrogen-bonded Turntrans62.425.1-178.6-48.7-72.7000115.1H67 L91H67-H69 VanDerWaalsContact C-N 3.3Å; H67-H69 PolarHBondContact O-N 3.41Å; H69-L91 HydrophobicContact CB-CB 4.43Å; H69-L91 WeakPolarHBondContact O-CB 3.19Å; H69-L91 PolarHBondContact O-N 2.78Å
70I95.6Very high93.1Very high14 Ų1471.3 Ų71.37%0.07236%0.362CS..EExtended strand (participates in β ladder)trans-124.4133.7174.1-57153.5000107.5V66 H67 N68 Y72 P87 F89 M119V66-I70 WeakPolarHBondContact CA-O 3.46Å; H67-I70 PolarHBondContact N-O 3.25Å; H67-I70 PolarHBondContact O-N 3.3Å; N68-I70 PolarHBondContact O-N 3.39Å; I70-Y72 HydrophobicContact CB-CD2 4.3Å; I70-Y72 HydrophobicContact CB-CE2 3.56Å; I70-Y72 WeakPolarHBondContact CD1-OH 3.49Å; I70-Y72 HydrophobicContact CG2-CD2 4.02Å; I70-Y72 HydrophobicContact CG2-CE1 4.15Å; I70-Y72 HydrophobicContact CG2-CE2 3.53Å; I70-Y72 WeakPolarHBondContact O-CD2 3.46Å; I70-P87 HydrophobicContact CG2-CB 3.73Å; I70-F89 WeakPolarHBondContact CA-O 3.38Å; I70-M119 WeakPolarHBondContact CD1-O 3.45Å; I70-M119 HydrophobicContact CG2-CB 4.17Å; I70-M119 HydrophobicContact CG2-SD 4.28Å
71E96.6Very high92.7Very high9 Ų970.6 Ų70.64%0.04236%0.356CS..EExtended strand (participates in β ladder)trans-91.1128169.5-169.5173.9-163.900109K64 V66 I88 F89 L91 R96K64-E71 VanDerWaalsContact CD-OE1 3.3Å; K64-E71 WeakPolarHBondContact CD-OE1 3.01Å; V66-E71 HydrophobicContact CG2-CG 4.42Å; E71-I88 HydrophobicContact CB-CG1 4.17Å; E71-I88 HydrophobicContact CG-CD1 4.02Å; E71-I88 HydrophobicContact CG-CG1 4.08Å; E71-I88 WeakPolarHBondContact O-CG1 3.1Å; E71-I88 PolarHBondContact O-N 3.13Å; E71-F89 HydrophobicContact CB-CB 4.24Å; E71-F89 PolarHBondContact N-O 3.08Å; E71-F89 PolarHBondContact O-N 3.43Å; E71-F89 VanDerWaalsContact OE2-CD2 3.3Å; E71-F89 WeakPolarHBondContact OE2-CD2 3.18Å; E71-L91 HydrophobicContact CB-CD2 4.33Å; E71-R96 IonicContact OE1-CZ 3.05Å; E71-R96 IonicContact OE1-NE 3.47Å; E71-R96 IonicContact OE1-NH2 2.6Å; E71-R96 PolarHBondContact OE1-NH2 2.04Å; E71-R96 IonicContact OE2-CZ 2.83Å; E71-R96 VanDerWaalsContact OE2-CZ 3.22Å; E71-R96 IonicContact OE2-NE 3.22Å; E71-R96 PolarHBondContact OE2-NE 2.79Å; E71-R96 IonicContact OE2-NH2 2.95Å; E71-R96 PolarHBondContact OE2-NH2 3.48Å
72Y95.7Very high92.5Very high21 Ų2170.9 Ų70.98%0.08236%0.36CS..EExtended strand (participates in β ladder)trans-111.6148.6177.9-63-97.2000109.8F54 K64 V65 H67 I70 M85 V86 P87F54-Y72 HydrophobicContact CE1-CD2 4.07Å; F54-Y72 HydrophobicContact CE1-CE2 4.44Å; F54-Y72 HydrophobicContact CE1-CG 4.31Å; F54-Y72 HydrophobicContact CE2-CD1 4.13Å; F54-Y72 HydrophobicContact CE2-CE1 4.17Å; F54-Y72 HydrophobicContact CE2-CG 4.33Å; F54-Y72 AromaticContact CZ-CD1 3.95Å; F54-Y72 HydrophobicContact CZ-CD1 3.95Å; F54-Y72 AromaticContact CZ-CD2 3.6Å; F54-Y72 HydrophobicContact CZ-CD2 3.6Å; F54-Y72 HydrophobicContact CZ-CE1 4.03Å; F54-Y72 AromaticContact CZ-CE2 3.68Å; F54-Y72 HydrophobicContact CZ-CE2 3.68Å; F54-Y72 AromaticContact CZ-CG 3.74Å; F54-Y72 HydrophobicContact CZ-CG 3.74Å; F54-Y72 AromaticContact CZ-CZ 3.9Å; K64-Y72 VanDerWaalsContact CA-O 3.27Å; K64-Y72 WeakPolarHBondContact CA-O 3.28Å; V65-Y72 PolarHBondContact N-O 3.21Å; V65-Y72 PolarHBondContact O-N 2.98Å; H67-Y72 HydrophobicContact CB-CD2 4.37Å; H67-Y72 HydrophobicContact CB-CE2 3.97Å; I70-Y72 HydrophobicContact CB-CD2 4.3Å; I70-Y72 HydrophobicContact CB-CE2 3.56Å; I70-Y72 WeakPolarHBondContact CD1-OH 3.49Å; I70-Y72 HydrophobicContact CG2-CD2 4.02Å; I70-Y72 HydrophobicContact CG2-CE1 4.15Å; I70-Y72 HydrophobicContact CG2-CE2 3.53Å; I70-Y72 WeakPolarHBondContact O-CD2 3.46Å; Y72-M85 HydrophobicContact CD1-CB 4.49Å; Y72-V86 CarbonylContact C-O 3.28Å; Y72-V86 VanDerWaalsContact CA-O 3.26Å; Y72-V86 WeakPolarHBondContact CA-O 3.39Å; Y72-P87 HydrophobicContact CD1-CB 3.96Å; Y72-P87 HydrophobicContact CE1-CB 3.82Å; Y72-P87 HydrophobicContact CE1-CG 4.48Å
73L95.8Very high92.3Very high36 Ų3667.6 Ų67.619%0.18834%0.343CS..EExtended strand (participates in β ladder)trans-118.4130.3173.217966.6000109.5N62 K64 T75 V86 I88N62-L73 WeakPolarHBondContact O-CD1 3.03Å; K64-L73 HydrophobicContact CG-CD1 3.9Å; L73-T75 PolarHBondContact O-N 3.37Å; L73-V86 HydrophobicContact CB-CG2 4.21Å; L73-V86 PolarHBondContact N-O 3.5Å; L73-V86 PolarHBondContact O-N 3.16Å; L73-I88 HydrophobicContact CB-CD1 4.05Å; L73-I88 HydrophobicContact CB-CG1 4.36Å; L73-I88 HydrophobicContact CB-CG2 3.74Å; L73-I88 HydrophobicContact CD2-CG2 4.41Å
74C95.5Very high92.1Very high0 Ų066.8 Ų66.80%034%0.341CS..EExtended strand (participates in β ladder)trans-75.9112.1167.1-179.50000109.8C52 S60 N62 D63 M85C52-C74 HydrophobicContact CB-CB 3.73Å; C52-C74 WeakPolarHBondContact CB-SG 3.37Å; C52-C74 PolarHBondContact N-SG 3.32Å; C52-C74 WeakPolarHBondContact SG-CA 3.16Å; C52-C74 WeakPolarHBondContact SG-CB 2.86Å; C52-C74 CovalentContact SG-SG 2.02Å; C52-C74 PolarHBondContact SG-SG 3.49Å; S60-C74 VanDerWaalsContact O-CB 3.28Å; S60-C74 WeakPolarHBondContact O-CB 3.38Å; S60-C74 PolarHBondContact O-SG 3.26Å; S60-C74 VanDerWaalsContact O-SG 3.35Å; N62-C74 WeakPolarHBondContact CA-O 3.19Å; N62-C74 PolarHBondContact N-O 2.98Å; D63-C74 PolarHBondContact O-N 2.7Å; C74-M85 VanDerWaalsContact CA-SD 3.58Å; C74-M85 HydrophobicContact CB-SD 3.63Å
75T94.1Very high91.9Very high36 Ų3662.3 Ų62.322%0.22132%0.322CS..EExtended strand (participates in β ladder)trans-137.3166.2-177.9-167.40000112L73 V83 T84 V86L73-T75 PolarHBondContact O-N 3.37Å; T75-V83 CarbonylContact O-C 3.54Å; T75-V83 VanDerWaalsContact O-CA 3.27Å; T75-V83 WeakPolarHBondContact O-CA 3.49Å; T75-T84 PolarHBondContact N-O 2.99Å; T75-T84 PolarHBondContact O-N 3.22Å; T75-T84 VanDerWaalsContact O-O 3.1Å; T75-V86 HydrophobicContact CG2-CB 4.35Å; T75-V86 HydrophobicContact CG2-CG1 3.8Å; T75-V86 HydrophobicContact CG2-CG2 3.57Å
76F89.7Confident91.7Very high52 Ų5263.9 Ų63.923%0.22833%0.331CS..EExtended strand (participates in β ladder)trans-90.1119.4178-174.6-95.3000110.5V43 Y61 K78 V83V43-F76 HydrophobicContact CG2-CZ 4.27Å; Y61-F76 HydrophobicContact CE2-CB 4.22Å; F76-K78 HydrophobicContact CD1-CG 4.19Å; F76-K78 HydrophobicContact CE1-CG 4.26Å; F76-V83 HydrophobicContact CB-CG1 4.37Å; F76-V83 HydrophobicContact CD2-CG1 4.24Å
77S88.3Confident91.6Very high31 Ų3161 Ų6122%0.21732%0.315CS..EExtended strand (participates in β ladder)trans-84.6112.5169.7174.30000109.4E79 A80 C81 K82S77-E79 PolarHBondContact O-N 3.06Å; S77-E79 PolarHBondContact OG-N 2.91Å; S77-A80 PolarHBondContact O-N 3.35Å; S77-A80 PolarHBondContact OG-N 2.79Å; S77-C81 WeakPolarHBondContact O-CA 3.09Å; S77-C81 PolarHBondContact O-N 2.77Å; S77-K82 PolarHBondContact N-O 3.15Å; S77-K82 PolarHBondContact O-N 3.27Å
78K85.1Confident91.5Very high175 Ų17560.2 Ų60.276%0.76131%0.312SS*.THydrogen-bonded Turntrans-63.3-31.9173.8-66.7-175.4-179.9-178.70112.2C40 F76C40-K78 PolarHBondContact SG-O 3.28Å; F76-K78 HydrophobicContact CD1-CG 4.19Å; F76-K78 HydrophobicContact CE1-CG 4.26Å
79E81.7Confident91.6Very high193 Ų19356.6 Ų56.690%0.90229%0.291SS*.THydrogen-bonded Turntrans-70.7-36.8179.9-64.7178.5179.900111.8S77S77-E79 PolarHBondContact O-N 3.06Å; S77-E79 PolarHBondContact OG-N 2.91Å
80A84.5Confident91.7Very high49 Ų4950 Ų5041%0.40526%0.26SS..THydrogen-bonded Turntrans-97.33-178.500000113.5S77 K82S77-A80 PolarHBondContact O-N 3.35Å; S77-A80 PolarHBondContact OG-N 2.79Å; A80-K82 HydrophobicContact CB-CD 4.27Å; A80-K82 HydrophobicContact CB-CG 3.85Å; A80-K82 WeakPolarHBondContact O-CG 3.46Å; A80-K82 PolarHBondContact O-N 2.78Å; A80-K82 VanDerWaalsContact O-N 3.08Å
81C84.2Confident91.7Very high60 Ų6050.4 Ų50.441%0.40526%0.262SS..THydrogen-bonded Turntrans4140.4-170.7-54.40000113.8C40 S77C40-C81 HydrophobicContact CB-CB 3.98Å; C40-C81 WeakPolarHBondContact CB-SG 3.44Å; C40-C81 VanDerWaalsContact SG-CA 3.55Å; C40-C81 WeakPolarHBondContact SG-CB 3.4Å; C40-C81 CovalentContact SG-SG 2.03Å; C40-C81 PolarHBondContact SG-SG 2.89Å; S77-C81 WeakPolarHBondContact O-CA 3.09Å; S77-C81 PolarHBondContact O-N 2.77Å
82K88.5Confident91.7Very high125 Ų12553.1 Ų53.154%0.54328%0.277SS..EExtended strand (participates in β ladder)trans-151.9159.3-177.171.7-176.1-178.9-177.60112.7S77 A80S77-K82 PolarHBondContact N-O 3.15Å; S77-K82 PolarHBondContact O-N 3.27Å; A80-K82 HydrophobicContact CB-CD 4.27Å; A80-K82 HydrophobicContact CB-CG 3.85Å; A80-K82 WeakPolarHBondContact O-CG 3.46Å; A80-K82 PolarHBondContact O-N 2.78Å; A80-K82 VanDerWaalsContact O-N 3.08Å
83V90.6Very high91.6Very high21 Ų2155.4 Ų55.413%0.12731%0.307CS..EExtended strand (participates in β ladder)trans-72.8140.3167.8-78.10000111.9V49 G51 Y61 T75 F76V49-V83 HydrophobicContact CG1-CB 3.92Å; V49-V83 HydrophobicContact CG1-CG1 3.16Å; V49-V83 HydrophobicContact CG1-CG2 3.51Å; G51-V83 WeakPolarHBondContact O-CG2 3.4Å; Y61-V83 HydrophobicContact CD2-CG1 4.28Å; T75-V83 CarbonylContact O-C 3.54Å; T75-V83 VanDerWaalsContact O-CA 3.27Å; T75-V83 WeakPolarHBondContact O-CA 3.49Å; F76-V83 HydrophobicContact CB-CG1 4.37Å; F76-V83 HydrophobicContact CD2-CG1 4.24Å
84T92.4Very high91.6Very high47 Ų4763.2 Ų63.229%0.28834%0.342SS..EExtended strand (participates in β ladder)trans-148.6150.1-176.6-170.40000110.8C52 T75 V86C52-T84 PolarHBondContact SG-N 2.05Å; C52-T84 VanDerWaalsContact SG-N 3.44Å; C52-T84 PolarHBondContact SG-O 2.75Å; C52-T84 VanDerWaalsContact SG-O 3.32Å; T75-T84 PolarHBondContact N-O 2.99Å; T75-T84 PolarHBondContact O-N 3.22Å; T75-T84 VanDerWaalsContact O-O 3.1Å; T84-V86 HydrophobicContact CG2-CG1 3.94Å
85M93.7Very high91.6Very high24 Ų2467.4 Ų67.412%0.11837%0.368CS..EExtended strand (participates in β ladder)trans-81.9120.7171.1-70-58.9-94.400109.5C52 F54 Y59 V65 Y72 C74C52-M85 HydrophobicContact CB-CG 3.68Å; C52-M85 HydrophobicContact CB-SD 3.55Å; C52-M85 VanDerWaalsContact CB-SD 3.55Å; F54-M85 HydrophobicContact CB-CE 4.2Å; F54-M85 HydrophobicContact CB-CG 3.68Å; F54-M85 HydrophobicContact CD1-CE 3.72Å; F54-M85 HydrophobicContact CD1-CG 4.48Å; F54-M85 HydrophobicContact CD2-CB 3.92Å; F54-M85 HydrophobicContact CD2-CE 4.44Å; F54-M85 HydrophobicContact CD2-CG 3.65Å; F54-M85 HydrophobicContact CE1-CE 4.13Å; F54-M85 HydrophobicContact CE2-CB 4.24Å; F54-M85 HydrophobicContact CE2-CG 4.35Å; F54-M85 HydrophobicContact CG-CB 4.47Å; F54-M85 HydrophobicContact CG-CE 3.9Å; F54-M85 HydrophobicContact CG-CG 3.72Å; Y59-M85 HydrophobicContact CD2-CE 4.34Å; V65-M85 HydrophobicContact CB-CE 3.77Å; V65-M85 HydrophobicContact CG2-CE 3.55Å; Y72-M85 HydrophobicContact CD1-CB 4.49Å; C74-M85 VanDerWaalsContact CA-SD 3.58Å; C74-M85 HydrophobicContact CB-SD 3.63Å
86V91.9Very high91.8Very high48 Ų4872.3 Ų72.329%0.29138%0.383SS..EExtended strand (participates in β ladder)trans-110.3133.5173.7-59.20000109.9Y72 L73 T75 T84 I88Y72-V86 CarbonylContact C-O 3.28Å; Y72-V86 VanDerWaalsContact CA-O 3.26Å; Y72-V86 WeakPolarHBondContact CA-O 3.39Å; L73-V86 HydrophobicContact CB-CG2 4.21Å; L73-V86 PolarHBondContact N-O 3.5Å; L73-V86 PolarHBondContact O-N 3.16Å; T75-V86 HydrophobicContact CG2-CB 4.35Å; T75-V86 HydrophobicContact CG2-CG1 3.8Å; T75-V86 HydrophobicContact CG2-CG2 3.57Å; T84-V86 HydrophobicContact CG2-CG1 3.94Å; V86-I88 HydrophobicContact CG2-CG2 4Å
87P93.9Very high92Very high32 Ų3270.4 Ų70.421%0.20837%0.374CS..EExtended strand (participates in β ladder)trans-69.4133.4171.230.7-34.1000109.3I70 Y72 M119I70-P87 HydrophobicContact CG2-CB 3.73Å; Y72-P87 HydrophobicContact CD1-CB 3.96Å; Y72-P87 HydrophobicContact CE1-CB 3.82Å; Y72-P87 HydrophobicContact CE1-CG 4.48Å; P87-M119 HydrophobicContact CB-CB 3.66Å; P87-M119 HydrophobicContact CB-CE 3.62Å; P87-M119 HydrophobicContact CB-CG 4.39Å; P87-M119 HydrophobicContact CB-SD 3.88Å; P87-M119 HydrophobicContact CG-CB 4Å; P87-M119 HydrophobicContact CG-CE 3.85Å; P87-M119 VanDerWaalsContact O-CE 3.23Å; P87-M119 WeakPolarHBondContact O-CE 3.26Å
88I94.6Very high92.3Very high33 Ų3373.7 Ų73.717%0.16939%0.386CS..EExtended strand (participates in β ladder)trans-118.9-31-175.855.7162.8000113.8K64 E71 L73 V86 P99K64-I88 HydrophobicContact CD-CD1 4.41Å; E71-I88 HydrophobicContact CB-CG1 4.17Å; E71-I88 HydrophobicContact CG-CD1 4.02Å; E71-I88 HydrophobicContact CG-CG1 4.08Å; E71-I88 WeakPolarHBondContact O-CG1 3.1Å; E71-I88 PolarHBondContact O-N 3.13Å; L73-I88 HydrophobicContact CB-CD1 4.05Å; L73-I88 HydrophobicContact CB-CG1 4.36Å; L73-I88 HydrophobicContact CB-CG2 3.74Å; L73-I88 HydrophobicContact CD2-CG2 4.41Å; V86-I88 HydrophobicContact CG2-CG2 4Å; I88-P99 WeakPolarHBondContact O-CD 3.43Å
89F96.4Very high92.6Very high42 Ų4267.2 Ų67.218%0.18436%0.362CS..EExtended strand (participates in β ladder)trans-144.3146.5177.5-61.8-71.5000111.3I70 E71 R96 E98I70-F89 WeakPolarHBondContact CA-O 3.38Å; E71-F89 HydrophobicContact CB-CB 4.24Å; E71-F89 PolarHBondContact N-O 3.08Å; E71-F89 PolarHBondContact O-N 3.43Å; E71-F89 VanDerWaalsContact OE2-CD2 3.3Å; E71-F89 WeakPolarHBondContact OE2-CD2 3.18Å; F89-R96 HydrophobicContact CB-CB 4.32Å; F89-R96 HydrophobicContact CB-CG 4.43Å; F89-R96 HydrophobicContact CD1-CB 4.22Å; F89-R96 HydrophobicContact CD2-CG 4.49Å; F89-R96 HydrophobicContact CG-CB 4.16Å; F89-R96 HydrophobicContact CG-CG 4.36Å; F89-E98 HydrophobicContact CD1-CB 4.41Å; F89-E98 HydrophobicContact CD1-CG 4.25Å; F89-E98 HydrophobicContact CE1-CB 4.34Å; F89-E98 HydrophobicContact CE1-CG 3.88Å
90C96.5Very high92.9Very high1 Ų158.6 Ų58.61%0.00733%0.325CS..EExtended strand (participates in β ladder)trans-82.2147.1157-61.90000109.5I97 C112 G120 I121C90-I97 HydrophobicContact CB-CB 4.28Å; C90-I97 PolarHBondContact N-O 3.4Å; C90-I97 PolarHBondContact O-N 3.11Å; C90-C112 HydrophobicContact CB-CB 3.68Å; C90-C112 WeakPolarHBondContact CB-SG 3.2Å; C90-C112 PolarHBondContact N-SG 2.92Å; C90-C112 VanDerWaalsContact N-SG 3.36Å; C90-C112 WeakPolarHBondContact SG-CA 3.46Å; C90-C112 WeakPolarHBondContact SG-CB 3.41Å; C90-C112 CovalentContact SG-SG 2.03Å; C90-C112 PolarHBondContact SG-SG 3.43Å; C90-G120 VanDerWaalsContact SG-C 3.53Å; C90-I121 HydrophobicContact CB-CD1 4.06Å; C90-I121 HydrophobicContact CB-CG1 3.59Å
91L96.7Very high93.2Very high23 Ų2359 Ų5912%0.1232%0.322CS..EExtended strand (participates in β ladder)trans-112.8128.7178.1-55.5179.2000110.4V66 H69 E71 T95 R96V66-L91 HydrophobicContact CB-CD1 4.24Å; V66-L91 HydrophobicContact CG1-CD1 3.43Å; V66-L91 VanDerWaalsContact CG1-CD1 3.43Å; V66-L91 HydrophobicContact CG2-CD1 3.76Å; H69-L91 HydrophobicContact CB-CB 4.43Å; H69-L91 WeakPolarHBondContact O-CB 3.19Å; H69-L91 PolarHBondContact O-N 2.78Å; E71-L91 HydrophobicContact CB-CD2 4.33Å; L91-T95 WeakPolarHBondContact CA-O 3.46Å; L91-R96 HydrophobicContact CD2-CG 3.77Å
92L95.6Very high93.5Very high66 Ų6657.1 Ų57.135%0.34631%0.314SS..EExtended strand (participates in β ladder)trans-122.193.9170.4-173.765.7000108.5E94 T95 I97 F103 M105 I121L92-E94 PolarHBondContact O-N 3.32Å; L92-T95 PolarHBondContact N-O 3.12Å; L92-T95 WeakPolarHBondContact O-CB 3.3Å; L92-T95 PolarHBondContact O-N 2.88Å; L92-I97 HydrophobicContact CB-CD1 3.82Å; L92-I97 HydrophobicContact CD2-CD1 4.29Å; L92-F103 HydrophobicContact CD2-CD2 4.32Å; L92-F103 HydrophobicContact CD2-CE2 3.56Å; L92-F103 HydrophobicContact CD2-CZ 3.93Å; L92-M105 HydrophobicContact CD2-SD 4.47Å; L92-I121 HydrophobicContact CB-CD1 4.08Å; L92-I121 HydrophobicContact CD1-CD1 4.34Å
93G94.8Very high93.8Very high69 Ų6953 Ų5371%0.71130%0.296SS*.THydrogen-bonded Turntrans63-122.1-165.700000110.4
94E95.4Very high94Very high201 Ų20154.3 Ų54.394%0.93930%0.303SS*.THydrogen-bonded Turntrans-88.9-6.8175.9-60.3-177.5170.600113L92L92-E94 PolarHBondContact O-N 3.32Å
95T95.7Very high94.1Very high87 Ų8756 Ų5653%0.53431%0.309SS..EExtended strand (participates in β ladder)trans-83.7126.2-176.9-56.70000110.4L91 L92 I97L91-T95 WeakPolarHBondContact CA-O 3.46Å; L92-T95 PolarHBondContact N-O 3.12Å; L92-T95 WeakPolarHBondContact O-CB 3.3Å; L92-T95 PolarHBondContact O-N 2.88Å; T95-I97 HydrophobicContact CG2-CG1 4.34Å
96R96.9Very high94.1Very high140 Ų14058 Ų5853%0.52834%0.337SS..EExtended strand (participates in β ladder)trans-85.7132.8169.2-71.6176.9169.2156.81.3110.1E71 F89 L91E71-R96 IonicContact OE1-CZ 3.05Å; E71-R96 IonicContact OE1-NE 3.47Å; E71-R96 IonicContact OE1-NH2 2.6Å; E71-R96 PolarHBondContact OE1-NH2 2.04Å; E71-R96 IonicContact OE2-CZ 2.83Å; E71-R96 VanDerWaalsContact OE2-CZ 3.22Å; E71-R96 IonicContact OE2-NE 3.22Å; E71-R96 PolarHBondContact OE2-NE 2.79Å; E71-R96 IonicContact OE2-NH2 2.95Å; E71-R96 PolarHBondContact OE2-NH2 3.48Å; F89-R96 HydrophobicContact CB-CB 4.32Å; F89-R96 HydrophobicContact CB-CG 4.43Å; F89-R96 HydrophobicContact CD1-CB 4.22Å; F89-R96 HydrophobicContact CD2-CG 4.49Å; F89-R96 HydrophobicContact CG-CB 4.16Å; F89-R96 HydrophobicContact CG-CG 4.36Å; L91-R96 HydrophobicContact CD2-CG 3.77Å
97I95.3Very high94.2Very high11 Ų1159.4 Ų59.46%0.05634%0.338CS..EExtended strand (participates in β ladder)trans-121.9118.5179.7-49.6-176.5000107.6C90 L92 T95 V101 F103 C112 I121C90-I97 HydrophobicContact CB-CB 4.28Å; C90-I97 PolarHBondContact N-O 3.4Å; C90-I97 PolarHBondContact O-N 3.11Å; L92-I97 HydrophobicContact CB-CD1 3.82Å; L92-I97 HydrophobicContact CD2-CD1 4.29Å; T95-I97 HydrophobicContact CG2-CG1 4.34Å; I97-V101 HydrophobicContact CG2-CB 4.15Å; I97-V101 HydrophobicContact CG2-CG1 4.28Å; I97-F103 HydrophobicContact CD1-CD1 3.7Å; I97-F103 HydrophobicContact CD1-CE1 3.24Å; I97-F103 HydrophobicContact CD1-CE2 4.36Å; I97-F103 HydrophobicContact CD1-CG 4.42Å; I97-F103 HydrophobicContact CD1-CZ 3.61Å; I97-F103 HydrophobicContact CG2-CD1 4.14Å; I97-F103 HydrophobicContact CG2-CE1 4.18Å; I97-C112 HydrophobicContact CB-CB 4.36Å; I97-C112 HydrophobicContact CG2-CB 3.88Å; I97-I121 HydrophobicContact CD1-CD1 4.14Å
98E94.1Very high94.3Very high100 Ų10059.4 Ų59.447%0.46734%0.337SS..  trans-68.1150.4178.9-36.2-162.3141.500110.7F89 G100 V101 C112F89-E98 HydrophobicContact CD1-CB 4.41Å; F89-E98 HydrophobicContact CD1-CG 4.25Å; F89-E98 HydrophobicContact CE1-CB 4.34Å; F89-E98 HydrophobicContact CE1-CG 3.88Å; E98-G100 PolarHBondContact O-N 2.78Å; E98-V101 HydrophobicContact CB-CB 4.45Å; E98-V101 HydrophobicContact CB-CG2 3.75Å; E98-V101 HydrophobicContact CG-CG2 4.19Å; E98-V101 VanDerWaalsContact O-CB 3.31Å; E98-V101 WeakPolarHBondContact O-CB 3.34Å; E98-V101 PolarHBondContact O-N 3.47Å; E98-C112 WeakPolarHBondContact O-CB 3.37Å
99P91.1Very high94.4Very high39 Ų3959.9 Ų59.925%0.25334%0.337SS..THydrogen-bonded Turntrans-52.9140.8172.8-26.238.1000110.7I88 V101 C112 V114 M119 Y270I88-P99 WeakPolarHBondContact O-CD 3.43Å; P99-V101 PolarHBondContact O-N 2.75Å; P99-V101 VanDerWaalsContact O-N 3.09Å; P99-C112 CarbonylContact C-O 3.59Å; P99-C112 WeakPolarHBondContact CA-O 3.36Å; P99-V114 HydrophobicContact CB-CG2 3.95Å; P99-V114 HydrophobicContact CG-CG2 4.45Å; P99-M119 HydrophobicContact CB-CE 4.15Å; P99-M119 HydrophobicContact CG-CE 3.34Å; P99-M119 HydrophobicContact CG-SD 4.08Å; P99-Y270 WeakPolarHBondContact O-CE1 3.01Å
100G88.3Confident94.4Very high12 Ų1260.2 Ų60.212%0.12434%0.337CS..THydrogen-bonded Turntrans75-17.1-177.200000115.2E98 G102 M111 C112E98-G100 PolarHBondContact O-N 2.78Å; G100-G102 PolarHBondContact O-N 3.25Å; G100-M111 VanDerWaalsContact O-SD 3.39Å; G100-C112 PolarHBondContact N-O 3.48Å
101V91Very high94.3Very high58 Ų5860.4 Ų60.435%0.35234%0.338SS..  trans-73.1127.6174.3177.70000109.2I97 E98 P99 M111 C112I97-V101 HydrophobicContact CG2-CB 4.15Å; I97-V101 HydrophobicContact CG2-CG1 4.28Å; E98-V101 HydrophobicContact CB-CB 4.45Å; E98-V101 HydrophobicContact CB-CG2 3.75Å; E98-V101 HydrophobicContact CG-CG2 4.19Å; E98-V101 VanDerWaalsContact O-CB 3.31Å; E98-V101 WeakPolarHBondContact O-CB 3.34Å; E98-V101 PolarHBondContact O-N 3.47Å; P99-V101 PolarHBondContact O-N 2.75Å; P99-V101 VanDerWaalsContact O-N 3.09Å; V101-M111 WeakPolarHBondContact O-CA 2.95Å; V101-C112 PolarHBondContact O-N 2.05Å
102G90.7Very high94.1Very high21 Ų2159.3 Ų59.322%0.21633%0.332CS..EExtended strand (participates in β ladder)trans-106.2160.3176.600000113.2G100 Y109 Y110G100-G102 PolarHBondContact O-N 3.25Å; G102-Y109 WeakPolarHBondContact CA-OH 3.47Å; G102-Y110 CarbonylContact C-O 3.54Å; G102-Y110 WeakPolarHBondContact CA-O 3.34Å
103F94.5Very high93.9Very high39 Ų3956.4 Ų56.417%0.17132%0.317CS..EExtended strand (participates in β ladder)trans-156.3155.6-178.661.1-81.9000110.3L92 I97 M105 Y110 I121L92-F103 HydrophobicContact CD2-CD2 4.32Å; L92-F103 HydrophobicContact CD2-CE2 3.56Å; L92-F103 HydrophobicContact CD2-CZ 3.93Å; I97-F103 HydrophobicContact CD1-CD1 3.7Å; I97-F103 HydrophobicContact CD1-CE1 3.24Å; I97-F103 HydrophobicContact CD1-CE2 4.36Å; I97-F103 HydrophobicContact CD1-CG 4.42Å; I97-F103 HydrophobicContact CD1-CZ 3.61Å; I97-F103 HydrophobicContact CG2-CD1 4.14Å; I97-F103 HydrophobicContact CG2-CE1 4.18Å; F103-M105 HydrophobicContact CD2-CB 4.42Å; F103-M105 HydrophobicContact CE2-CB 4.26Å; F103-M105 HydrophobicContact CE2-CE 4.5Å; F103-Y110 HydrophobicContact CE2-CD2 4.36Å; F103-Y110 HydrophobicContact CE2-CG 4.26Å; F103-Y110 VanDerWaalsContact CZ-CB 3.48Å; F103-Y110 HydrophobicContact CZ-CG 4.23Å; F103-Y110 PolarHBondContact N-O 2.78Å; F103-Y110 PolarHBondContact O-N 3.39Å; F103-I121 HydrophobicContact CE1-CG2 4.11Å; F103-I121 HydrophobicContact CZ-CD1 4.22Å; F103-I121 HydrophobicContact CZ-CG2 3.64Å
104V95.2Very high93.5Very high47 Ų4755 Ų5529%0.28530%0.295SS..EExtended strand (participates in β ladder)trans-94134.7175.9174.50000110G106 Y109V104-G106 WeakPolarHBondContact CG1-O 3.32Å; V104-Y109 HydrophobicContact CG2-CD2 3.59Å; V104-Y109 HydrophobicContact CG2-CE2 4.22Å
105M93.7Very high92.8Very high82 Ų8248.7 Ų48.740%0.40426%0.263SS..EExtended strand (participates in β ladder)trans-137.8109.2170.6-178.7173.854.900108.5L92 F103 K107 L108 Y110L92-M105 HydrophobicContact CD2-SD 4.47Å; F103-M105 HydrophobicContact CD2-CB 4.42Å; F103-M105 HydrophobicContact CE2-CB 4.26Å; F103-M105 HydrophobicContact CE2-CE 4.5Å; M105-K107 PolarHBondContact O-N 2.8Å; M105-L108 PolarHBondContact N-O 2.96Å; M105-L108 PolarHBondContact O-N 2.79Å; M105-Y110 HydrophobicContact CB-CD2 3.8Å; M105-Y110 HydrophobicContact CB-CE2 3.76Å; M105-Y110 HydrophobicContact CE-CD1 4.41Å; M105-Y110 HydrophobicContact CE-CD2 3.84Å; M105-Y110 HydrophobicContact CE-CE1 4.08Å; M105-Y110 HydrophobicContact CE-CE2 3.45Å; M105-Y110 VanDerWaalsContact CE-CE2 3.45Å; M105-Y110 HydrophobicContact CE-CG 4.29Å; M105-Y110 HydrophobicContact CG-CE2 4.46Å
106G93.6Very high92Very high68 Ų6851.4 Ų51.470%0.70127%0.27SS*.THydrogen-bonded Turntrans64.4-129.8-168.900000111.3V104 L108V104-G106 WeakPolarHBondContact CG1-O 3.32Å; G106-L108 VanDerWaalsContact C-N 3.35Å
107K94.5Very high90.9Very high76 Ų7649 Ų4933%0.3327%0.274SS..THydrogen-bonded Turntrans-90.72.7-179.8-63175.7-177162.50113.6M105 C126 G127 Y140 F147 A158 E187M105-K107 PolarHBondContact O-N 2.8Å; K107-C126 CarbonylContact O-C 3.51Å; K107-C126 WeakPolarHBondContact O-CA 3.33Å; K107-C126 WeakPolarHBondContact O-CB 3.37Å; K107-G127 PolarHBondContact O-N 2.82Å; K107-Y140 PolarHBondContact O-OH 2.78Å; K107-F147 HydrophobicContact CD-CD1 4.14Å; K107-F147 HydrophobicContact CD-CE1 3.76Å; K107-F147 HydrophobicContact CD-CZ 4.05Å; K107-F147 VanDerWaalsContact CE-CE1 3.46Å; K107-F147 VanDerWaalsContact NZ-CE1 3.27Å; K107-A158 HydrophobicContact CB-CB 3.54Å; K107-A158 HydrophobicContact CD-CB 3.97Å; K107-A158 HydrophobicContact CG-CB 4.36Å; K107-E187 IonicContact NZ-OE1 2.67Å; K107-E187 PolarHBondContact NZ-OE1 2.84Å
108L96.3Very high90.2Very high33 Ų3353.1 Ų53.117%0.17330%0.296CS..EExtended strand (participates in β ladder)trans-114.4145.5-173.5-63-179000110.7M105 G106 Y110 A123 M156M105-L108 PolarHBondContact N-O 2.96Å; M105-L108 PolarHBondContact O-N 2.79Å; G106-L108 VanDerWaalsContact C-N 3.35Å; L108-Y110 HydrophobicContact CB-CD2 4.21Å; L108-Y110 HydrophobicContact CB-CE2 3.52Å; L108-Y110 WeakPolarHBondContact CD1-OH 2.99Å; L108-A123 HydrophobicContact CD1-CB 4.43Å; L108-M156 HydrophobicContact CD2-CB 4.14Å
109Y96.2Very high90.1Very high42 Ų4249 Ų4917%0.16528%0.277CS..EExtended strand (participates in β ladder)trans-102.3119.9173-169-80.7000108.6G102 V104 A123 I124 G125 C126 G131 R133G102-Y109 WeakPolarHBondContact CA-OH 3.47Å; V104-Y109 HydrophobicContact CG2-CD2 3.59Å; V104-Y109 HydrophobicContact CG2-CE2 4.22Å; Y109-A123 WeakPolarHBondContact O-CA 3.24Å; Y109-I124 HydrophobicContact CD1-CD1 3.93Å; Y109-I124 HydrophobicContact CD1-CG1 3.73Å; Y109-I124 HydrophobicContact CE1-CD1 4Å; Y109-I124 HydrophobicContact CE1-CG1 4.3Å; Y109-I124 PolarHBondContact O-N 3.1Å; Y109-G125 PolarHBondContact N-O 2.81Å; Y109-G125 PolarHBondContact O-N 3.34Å; Y109-C126 WeakPolarHBondContact CB-O 3.3Å; Y109-G131 WeakPolarHBondContact CE2-O 3.37Å; Y109-R133 HydrophobicContact CD1-CB 3.97Å; Y109-R133 HydrophobicContact CD1-CG 3.88Å; Y109-R133 HydrophobicContact CD2-CB 3.64Å; Y109-R133 HydrophobicContact CD2-CG 4.28Å; Y109-R133 HydrophobicContact CE1-CB 4.07Å; Y109-R133 HydrophobicContact CE1-CG 4.31Å; Y109-R133 HydrophobicContact CE2-CB 3.78Å; Y109-R133 HydrophobicContact CG-CB 3.74Å; Y109-R133 HydrophobicContact CG-CG 3.86Å
110Y95.7Very high90.2Very high49 Ų4948 Ų4819%0.19227%0.274CS..EExtended strand (participates in β ladder)trans-105158.4-178.9-67.5-93.9000110.7G102 F103 M105 L108 I121 K122 A123G102-Y110 CarbonylContact C-O 3.54Å; G102-Y110 WeakPolarHBondContact CA-O 3.34Å; F103-Y110 HydrophobicContact CE2-CD2 4.36Å; F103-Y110 HydrophobicContact CE2-CG 4.26Å; F103-Y110 VanDerWaalsContact CZ-CB 3.48Å; F103-Y110 HydrophobicContact CZ-CG 4.23Å; F103-Y110 PolarHBondContact N-O 2.78Å; F103-Y110 PolarHBondContact O-N 3.39Å; M105-Y110 HydrophobicContact CB-CD2 3.8Å; M105-Y110 HydrophobicContact CB-CE2 3.76Å; M105-Y110 HydrophobicContact CE-CD1 4.41Å; M105-Y110 HydrophobicContact CE-CD2 3.84Å; M105-Y110 HydrophobicContact CE-CE1 4.08Å; M105-Y110 HydrophobicContact CE-CE2 3.45Å; M105-Y110 VanDerWaalsContact CE-CE2 3.45Å; M105-Y110 HydrophobicContact CE-CG 4.29Å; M105-Y110 HydrophobicContact CG-CE2 4.46Å; L108-Y110 HydrophobicContact CB-CD2 4.21Å; L108-Y110 HydrophobicContact CB-CE2 3.52Å; L108-Y110 WeakPolarHBondContact CD1-OH 2.99Å; Y110-I121 HydrophobicContact CD1-CG2 3.74Å; Y110-I121 HydrophobicContact CG-CG2 4.14Å; Y110-K122 CarbonylContact C-O 3.5Å; Y110-K122 VanDerWaalsContact CA-O 3.26Å; Y110-K122 WeakPolarHBondContact CA-O 3.39Å; Y110-A123 HydrophobicContact CD1-CB 3.99Å; Y110-A123 HydrophobicContact CE1-CB 3.79Å
111M94.1Very high90.4Very high6 Ų650.1 Ų50.13%0.0328%0.282CS..EExtended strand (participates in β ladder)trans-145.4141.4173.8-175.4175.374.800110.1G100 V101 S113 K122 I124G100-M111 VanDerWaalsContact O-SD 3.39Å; V101-M111 WeakPolarHBondContact O-CA 2.95Å; M111-S113 WeakPolarHBondContact CE-OG 3.34Å; M111-S113 PolarHBondContact O-N 2.98Å; M111-S113 PolarHBondContact O-OG 3.04Å; M111-K122 PolarHBondContact N-O 3.34Å; M111-K122 PolarHBondContact O-N 2.86Å; M111-I124 HydrophobicContact CB-CD1 3.6Å; M111-I124 HydrophobicContact CB-CG1 4.04Å; M111-I124 HydrophobicContact CB-CG2 4.24Å; M111-I124 HydrophobicContact CE-CD1 4.03Å; M111-I124 HydrophobicContact CE-CG2 4.35Å; M111-I124 HydrophobicContact CG-CD1 4.26Å; M111-I124 HydrophobicContact SD-CD1 3.71Å
112C94.5Very high90.6Very high0 Ų051.9 Ų51.90%029%0.285CS..EExtended strand (participates in β ladder)trans-7199.3167-175.50000108.6C90 I97 E98 P99 G100 V101 M119C90-C112 HydrophobicContact CB-CB 3.68Å; C90-C112 WeakPolarHBondContact CB-SG 3.2Å; C90-C112 PolarHBondContact N-SG 2.92Å; C90-C112 VanDerWaalsContact N-SG 3.36Å; C90-C112 WeakPolarHBondContact SG-CA 3.46Å; C90-C112 WeakPolarHBondContact SG-CB 3.41Å; C90-C112 CovalentContact SG-SG 2.03Å; C90-C112 PolarHBondContact SG-SG 3.43Å; I97-C112 HydrophobicContact CB-CB 4.36Å; I97-C112 HydrophobicContact CG2-CB 3.88Å; E98-C112 WeakPolarHBondContact O-CB 3.37Å; P99-C112 CarbonylContact C-O 3.59Å; P99-C112 WeakPolarHBondContact CA-O 3.36Å; G100-C112 PolarHBondContact N-O 3.48Å; V101-C112 PolarHBondContact O-N 2.05Å; C112-M119 VanDerWaalsContact SG-SD 3.62Å
113S89.8Confident90.7Very high4 Ų452.4 Ų52.43%0.02829%0.287CS..EExtended strand (participates in β ladder)trans-100.4138.6-173.6-57.30000110.5M111 M119 G120M111-S113 WeakPolarHBondContact CE-OG 3.34Å; M111-S113 PolarHBondContact O-N 2.98Å; M111-S113 PolarHBondContact O-OG 3.04Å; S113-M119 CarbonylContact O-C 3.51Å; S113-M119 WeakPolarHBondContact O-CA 3.14Å; S113-G120 PolarHBondContact N-O 3.47Å; S113-G120 PolarHBondContact O-N 2.77Å
114V86Confident90.6Very high41 Ų4151.2 Ų51.225%0.24828%0.283CS..EExtended strand (participates in β ladder)trans-99.5123169-175.10000108.2P99 N118 M119P99-V114 HydrophobicContact CB-CG2 3.95Å; P99-V114 HydrophobicContact CG-CG2 4.45Å; V114-N118 CarbonylContact C-O 3.53Å; V114-N118 WeakPolarHBondContact CA-O 3.06Å; V114-M119 HydrophobicContact CG2-CE 3.56Å; V114-M119 HydrophobicContact CG2-CG 4.28Å
115Y81.6Confident90.6Very high68 Ų6849 Ų4927%0.26727%0.269SS..EExtended strand (participates in β ladder)trans-126.4111.6175.4-176.3-91.6000109.1S117 N118 W273Y115-S117 PolarHBondContact O-N 2.6Å; Y115-N118 PolarHBondContact N-O 2.89Å; Y115-N118 PolarHBondContact O-N 2.92Å; Y115-N118 VanDerWaalsContact O-O 3.13Å; Y115-W273 HydrophobicContact CD2-CB 3.68Å; Y115-W273 HydrophobicContact CE2-CB 4.16Å
116E78.3Confident90.8Very high144 Ų14445.1 Ų45.167%0.67325%0.25SC*.THydrogen-bonded Turntrans53.8-102.9-174.4-61.5171.9-169.800112.3
117S74.1Confident90.8Very high89 Ų8942 Ų4262%0.62222%0.218SC*.THydrogen-bonded Turntrans-108.61.3178.652.50000113.2Y115Y115-S117 PolarHBondContact O-N 2.6Å
118N81.6Confident90.8Very high97 Ų9739 Ų3952%0.51921%0.207SC..EExtended strand (participates in β ladder)trans-107.3143.3-178.4-65.7-58.7000110.5V114 Y115V114-N118 CarbonylContact C-O 3.53Å; V114-N118 WeakPolarHBondContact CA-O 3.06Å; Y115-N118 PolarHBondContact N-O 2.89Å; Y115-N118 PolarHBondContact O-N 2.92Å; Y115-N118 VanDerWaalsContact O-O 3.13Å
119M90.8Very high90.6Very high14 Ų1443.5 Ų43.57%0.06923%0.227CC..EExtended strand (participates in β ladder)trans-117.9150170.8-175.7179-71.500108.1I70 P87 P99 C112 S113 V114I70-M119 WeakPolarHBondContact CD1-O 3.45Å; I70-M119 HydrophobicContact CG2-CB 4.17Å; I70-M119 HydrophobicContact CG2-SD 4.28Å; P87-M119 HydrophobicContact CB-CB 3.66Å; P87-M119 HydrophobicContact CB-CE 3.62Å; P87-M119 HydrophobicContact CB-CG 4.39Å; P87-M119 HydrophobicContact CB-SD 3.88Å; P87-M119 HydrophobicContact CG-CB 4Å; P87-M119 HydrophobicContact CG-CE 3.85Å; P87-M119 VanDerWaalsContact O-CE 3.23Å; P87-M119 WeakPolarHBondContact O-CE 3.26Å; P99-M119 HydrophobicContact CB-CE 4.15Å; P99-M119 HydrophobicContact CG-CE 3.34Å; P99-M119 HydrophobicContact CG-SD 4.08Å; C112-M119 VanDerWaalsContact SG-SD 3.62Å; S113-M119 CarbonylContact O-C 3.51Å; S113-M119 WeakPolarHBondContact O-CA 3.14Å; V114-M119 HydrophobicContact CG2-CE 3.56Å; V114-M119 HydrophobicContact CG2-CG 4.28Å
120G93.2Very high90.5Very high19 Ų1947 Ų4720%0.19625%0.248CC..EExtended strand (participates in β ladder)trans-179.4163174.100000113.5C90 S113 K122C90-G120 VanDerWaalsContact SG-C 3.53Å; S113-G120 PolarHBondContact N-O 3.47Å; S113-G120 PolarHBondContact O-N 2.77Å; G120-K122 PolarHBondContact O-N 3.01Å
121I93.9Very high90.3Very high55 Ų5546.5 Ų46.528%0.28226%0.258SS..EExtended strand (participates in β ladder)trans-80.1118.7176.2-61.2176.8000108.2C90 L92 I97 F103 Y110C90-I121 HydrophobicContact CB-CD1 4.06Å; C90-I121 HydrophobicContact CB-CG1 3.59Å; L92-I121 HydrophobicContact CB-CD1 4.08Å; L92-I121 HydrophobicContact CD1-CD1 4.34Å; I97-I121 HydrophobicContact CD1-CD1 4.14Å; F103-I121 HydrophobicContact CE1-CG2 4.11Å; F103-I121 HydrophobicContact CZ-CD1 4.22Å; F103-I121 HydrophobicContact CZ-CG2 3.64Å; Y110-I121 HydrophobicContact CD1-CG2 3.74Å; Y110-I121 HydrophobicContact CG-CG2 4.14Å
122K93.4Very high90.3Very high96 Ų9651.8 Ų51.842%0.41728%0.284SS..EExtended strand (participates in β ladder)trans-125.4142.7177.1-66.8-172.6178.8-1780110.4Y110 M111 G120Y110-K122 CarbonylContact C-O 3.5Å; Y110-K122 VanDerWaalsContact CA-O 3.26Å; Y110-K122 WeakPolarHBondContact CA-O 3.39Å; M111-K122 PolarHBondContact N-O 3.34Å; M111-K122 PolarHBondContact O-N 2.86Å; G120-K122 PolarHBondContact O-N 3.01Å
123A94.4Very high90.4Very high32 Ų3255 Ų5526%0.26430%0.296SS..EExtended strand (participates in β ladder)trans-72.2128.416800000108.9L108 Y109 Y110 M156L108-A123 HydrophobicContact CD1-CB 4.43Å; Y109-A123 WeakPolarHBondContact O-CA 3.24Å; Y110-A123 HydrophobicContact CD1-CB 3.99Å; Y110-A123 HydrophobicContact CE1-CB 3.79Å; A123-M156 HydrophobicContact CB-CB 3.85Å; A123-M156 HydrophobicContact CB-CG 3.98Å; A123-M156 WeakPolarHBondContact O-CG 3.07Å
124I92.8Very high90.6Very high14 Ų1456 Ų567%0.07230%0.301CS..EExtended strand (participates in β ladder)trans-124.61.9-177.363.9161.4000113Y109 M111 R133Y109-I124 HydrophobicContact CD1-CD1 3.93Å; Y109-I124 HydrophobicContact CD1-CG1 3.73Å; Y109-I124 HydrophobicContact CE1-CD1 4Å; Y109-I124 HydrophobicContact CE1-CG1 4.3Å; Y109-I124 PolarHBondContact O-N 3.1Å; M111-I124 HydrophobicContact CB-CD1 3.6Å; M111-I124 HydrophobicContact CB-CG1 4.04Å; M111-I124 HydrophobicContact CB-CG2 4.24Å; M111-I124 HydrophobicContact CE-CD1 4.03Å; M111-I124 HydrophobicContact CE-CG2 4.35Å; M111-I124 HydrophobicContact CG-CD1 4.26Å; M111-I124 HydrophobicContact SD-CD1 3.71Å; I124-R133 PolarHBondContact O-NE 2.8Å; I124-R133 PolarHBondContact O-NH2 2.88Å
125G94.2Very high90.9Very high0 Ų057.5 Ų57.50%031%0.305CS..EExtended strand (participates in β ladder)trans-178-179.7-172.400000111Y109Y109-G125 PolarHBondContact N-O 2.81Å; Y109-G125 PolarHBondContact O-N 3.34Å
126C97.1Very high91.5Very high0 Ų058.2 Ų58.20%031%0.313CS..EExtended strand (participates in β ladder)trans-95.7155.2164.9-55.90000109.2K107 Y109 I134 Y140 C149 E157K107-C126 CarbonylContact O-C 3.51Å; K107-C126 WeakPolarHBondContact O-CA 3.33Å; K107-C126 WeakPolarHBondContact O-CB 3.37Å; Y109-C126 WeakPolarHBondContact CB-O 3.3Å; C126-I134 HydrophobicContact CB-CB 4.08Å; C126-I134 PolarHBondContact N-O 3.09Å; C126-I134 VanDerWaalsContact N-O 3.08Å; C126-I134 PolarHBondContact O-N 3.38Å; C126-Y140 HydrophobicContact CB-CD1 4.38Å; C126-Y140 HydrophobicContact CB-CE1 3.53Å; C126-C149 HydrophobicContact CB-CB 3.72Å; C126-C149 WeakPolarHBondContact CB-SG 3.32Å; C126-C149 PolarHBondContact N-SG 3.21Å; C126-C149 WeakPolarHBondContact SG-CA 3.03Å; C126-C149 WeakPolarHBondContact SG-CB 3.46Å; C126-C149 CovalentContact SG-SG 2.04Å; C126-C149 PolarHBondContact SG-SG 2.98Å; C126-E157 PolarHBondContact SG-O 3.15Å
127G95.3Very high92.3Very high2 Ų253.1 Ų53.12%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-111.4131.7-179.200000110.7K107 Y140K107-G127 PolarHBondContact O-N 2.82Å; G127-Y140 WeakPolarHBondContact O-CE2 3.41Å
128S94.6Very high93.4Very high15 Ų1552.8 Ų52.811%0.10529%0.288CS..  trans-85.2164.8165.649.70000111.2N130 G131 M132S128-N130 WeakPolarHBondContact CB-OD1 3Å; S128-N130 PolarHBondContact O-N 3.14Å; S128-N130 PolarHBondContact OG-OD1 2.86Å; S128-G131 PolarHBondContact O-N 2.77Å; S128-M132 PolarHBondContact N-O 2.92Å; S128-M132 WeakPolarHBondContact OG-CB 3.39Å; S128-M132 PolarHBondContact OG-N 3.05Å; S128-M132 PolarHBondContact OG-O 2.04Å
129E91.6Very high94.2Very high127 Ų12754.6 Ų54.659%0.59329%0.291SS*.THydrogen-bonded Turntrans-61.9-28.1-177.2-62.6-176.1139.700113.7G131 V142E129-G131 PolarHBondContact O-N 3.5Å; E129-V142 HydrophobicContact CG-CB 4.42Å; E129-V142 HydrophobicContact CG-CG1 3.82Å; E129-V142 HydrophobicContact CG-CG2 4.39Å; E129-V142 WeakPolarHBondContact OE1-CG1 3.41Å
130N93.2Very high94.4Very high115 Ų11554.5 Ų54.562%0.61529%0.29SS*.THydrogen-bonded Turntrans-818.117668.3-8.3000113.7S128 M132S128-N130 WeakPolarHBondContact CB-OD1 3Å; S128-N130 PolarHBondContact O-N 3.14Å; S128-N130 PolarHBondContact OG-OD1 2.86Å; N130-M132 VanDerWaalsContact C-N 3.34Å; N130-M132 PolarHBondContact ND2-SD 3.33Å; N130-M132 PolarHBondContact O-N 2.89Å; N130-M132 WeakPolarHBondContact OD1-CB 3.32Å; N130-M132 WeakPolarHBondContact OD1-CG 3.25Å; N130-M132 PolarHBondContact OD1-N 2.77Å
131G93.1Very high94.5Very high38 Ų3861.3 Ų61.339%0.39231%0.31SS..SBendtrans82.75.3178.100000114.8Y109 S128 E129Y109-G131 WeakPolarHBondContact CE2-O 3.37Å; S128-G131 PolarHBondContact O-N 2.77Å; E129-G131 PolarHBondContact O-N 3.5Å
132M94Very high94.4Very high117 Ų11759.9 Ų59.958%0.57630%0.304SS*.PPolyproline II helixtrans-80.3148.5179.3-61.6179.46800112.3S128 N130S128-M132 PolarHBondContact N-O 2.92Å; S128-M132 WeakPolarHBondContact OG-CB 3.39Å; S128-M132 PolarHBondContact OG-N 3.05Å; S128-M132 PolarHBondContact OG-O 2.04Å; N130-M132 VanDerWaalsContact C-N 3.34Å; N130-M132 PolarHBondContact ND2-SD 3.33Å; N130-M132 PolarHBondContact O-N 2.89Å; N130-M132 WeakPolarHBondContact OD1-CB 3.32Å; N130-M132 WeakPolarHBondContact OD1-CG 3.25Å; N130-M132 PolarHBondContact OD1-N 2.77Å
133R95Very high94.3Very high68 Ų6861.6 Ų61.626%0.25732%0.317SS..EExtended strand (participates in β ladder)trans-79127171.7-176.6-178.8175.5-157.8-0.6110.1Y109 I124Y109-R133 HydrophobicContact CD1-CB 3.97Å; Y109-R133 HydrophobicContact CD1-CG 3.88Å; Y109-R133 HydrophobicContact CD2-CB 3.64Å; Y109-R133 HydrophobicContact CD2-CG 4.28Å; Y109-R133 HydrophobicContact CE1-CB 4.07Å; Y109-R133 HydrophobicContact CE1-CG 4.31Å; Y109-R133 HydrophobicContact CE2-CB 3.78Å; Y109-R133 HydrophobicContact CG-CB 3.74Å; Y109-R133 HydrophobicContact CG-CG 3.86Å; I124-R133 PolarHBondContact O-NE 2.8Å; I124-R133 PolarHBondContact O-NH2 2.88Å
134I95.4Very high94.2Very high24 Ų2463.5 Ų63.512%0.12333%0.325CS..EExtended strand (participates in β ladder)trans-98.6130.4169.1-51.5-57.9000108.5C126 Q138 Y140 C149C126-I134 HydrophobicContact CB-CB 4.08Å; C126-I134 PolarHBondContact N-O 3.09Å; C126-I134 VanDerWaalsContact N-O 3.08Å; C126-I134 PolarHBondContact O-N 3.38Å; I134-Q138 HydrophobicContact CG2-CB 3.66Å; I134-Y140 HydrophobicContact CB-CD1 4.24Å; I134-Y140 HydrophobicContact CB-CG 4.41Å; I134-Y140 HydrophobicContact CD1-CG 4.43Å; I134-Y140 HydrophobicContact CG1-CD1 4.14Å; I134-Y140 HydrophobicContact CG1-CD2 4.16Å; I134-Y140 HydrophobicContact CG1-CG 3.81Å; I134-Y140 HydrophobicContact CG2-CD1 3.74Å; I134-Y140 HydrophobicContact CG2-CE1 4.48Å; I134-Y140 HydrophobicContact CG2-CG 4.11Å; I134-C149 HydrophobicContact CG2-CB 4.25Å
135Q92.1Very high94.3Very high73 Ų7364.6 Ų64.634%0.34133%0.331SS..PPolyproline II helixtrans-76.6157.9-178.4-57-171.518.400111.8G137 Q138 C149Q135-G137 PolarHBondContact O-N 3.41Å; Q135-Q138 HydrophobicContact CB-CG 4.14Å; Q135-Q138 WeakPolarHBondContact O-CB 3Å; Q135-Q138 PolarHBondContact O-N 3.18Å; Q135-Q138 VanDerWaalsContact O-N 3.16Å; Q135-C149 WeakPolarHBondContact O-CB 3.3Å
136I94.3Very high94.4Very high83 Ų8364.8 Ų64.843%0.42633%0.332SS..THydrogen-bonded Turntrans-56.3135.8170.7-60.1164.3000108.7Q138 L151 M156I136-Q138 VanDerWaalsContact C-N 3.33Å; I136-L151 HydrophobicContact CD1-CB 4.05Å; I136-L151 HydrophobicContact CG2-CB 4.44Å; I136-M156 HydrophobicContact CD1-CE 4.21Å; I136-M156 HydrophobicContact CD1-SD 3.86Å; I136-M156 HydrophobicContact CG1-CE 3.51Å; I136-M156 HydrophobicContact CG1-SD 3.85Å
137G95.1Very high94.5Very high38 Ų3864.8 Ų64.839%0.39233%0.333SS..THydrogen-bonded Turntrans86.8-4.8-178.600000115Q135 Y148 C149Q135-G137 PolarHBondContact O-N 3.41Å; G137-Y148 VanDerWaalsContact C-CE2 3.47Å; G137-Y148 WeakPolarHBondContact CA-OH 3.38Å; G137-Y148 WeakPolarHBondContact O-CE2 3.2Å; G137-C149 PolarHBondContact N-O 2.76Å
138Q96.9Very high94.6Very high82 Ų8268.4 Ų68.438%0.38335%0.346SS..  trans-92.6146.8178.5-65.9-177.3-2900112I134 Q135 I136 C149I134-Q138 HydrophobicContact CG2-CB 3.66Å; Q135-Q138 HydrophobicContact CB-CG 4.14Å; Q135-Q138 WeakPolarHBondContact O-CB 3Å; Q135-Q138 PolarHBondContact O-N 3.18Å; Q135-Q138 VanDerWaalsContact O-N 3.16Å; I136-Q138 VanDerWaalsContact C-N 3.33Å; Q138-C149 PolarHBondContact O-N 3.14Å
139K97Very high94.7Very high134 Ų13467.7 Ų67.758%0.58334%0.341SS*.EExtended strand (participates in β ladder)trans-91143.7167.4-62.6176.5-177.5178.90109.1V146 F147 Y148 I161 I169K139-V146 HydrophobicContact CB-CG1 4.45Å; K139-F147 CarbonylContact C-O 3.48Å; K139-F147 WeakPolarHBondContact CA-O 3.41Å; K139-Y148 HydrophobicContact CG-CD2 4Å; K139-I161 HydrophobicContact CD-CD1 3.7Å; K139-I161 HydrophobicContact CG-CD1 3.83Å; K139-I169 HydrophobicContact CD-CD1 4.14Å
140Y96.4Very high94.9Very high13 Ų1365.2 Ų65.25%0.05133%0.33CS..EExtended strand (participates in β ladder)trans-145.1160175.269-78000110.8K107 C126 G127 I134 V142 V146 F147 C149 A158K107-Y140 PolarHBondContact O-OH 2.78Å; C126-Y140 HydrophobicContact CB-CD1 4.38Å; C126-Y140 HydrophobicContact CB-CE1 3.53Å; G127-Y140 WeakPolarHBondContact O-CE2 3.41Å; I134-Y140 HydrophobicContact CB-CD1 4.24Å; I134-Y140 HydrophobicContact CB-CG 4.41Å; I134-Y140 HydrophobicContact CD1-CG 4.43Å; I134-Y140 HydrophobicContact CG1-CD1 4.14Å; I134-Y140 HydrophobicContact CG1-CD2 4.16Å; I134-Y140 HydrophobicContact CG1-CG 3.81Å; I134-Y140 HydrophobicContact CG2-CD1 3.74Å; I134-Y140 HydrophobicContact CG2-CE1 4.48Å; I134-Y140 HydrophobicContact CG2-CG 4.11Å; Y140-V142 HydrophobicContact CD2-CG2 3.99Å; Y140-V142 HydrophobicContact CE2-CG2 3.73Å; Y140-V146 WeakPolarHBondContact O-CA 2.94Å; Y140-F147 HydrophobicContact CD1-CB 3.85Å; Y140-F147 HydrophobicContact CD2-CB 4.46Å; Y140-F147 HydrophobicContact CE1-CB 3.35Å; Y140-F147 HydrophobicContact CE1-CG 4.4Å; Y140-F147 HydrophobicContact CE2-CB 4.03Å; Y140-F147 HydrophobicContact CE2-CD2 4.27Å; Y140-F147 HydrophobicContact CE2-CG 4.38Å; Y140-F147 HydrophobicContact CG-CB 4.39Å; Y140-F147 VanDerWaalsContact CZ-CB 3.45Å; Y140-F147 PolarHBondContact N-O 3.05Å; Y140-F147 PolarHBondContact O-N 3.46Å; Y140-C149 HydrophobicContact CE1-CB 4.46Å; Y140-A158 WeakPolarHBondContact OH-CB 3.44Å
141R94.3Very high95Very high162 Ų16264 Ų6461%0.61132%0.322SS*.EExtended strand (participates in β ladder)trans-110.6145.7-176.4-60.4178.8-174.4169-8.1110.3L145 V146 D164R141-L145 WeakPolarHBondContact CA-O 3.31Å; R141-V146 HydrophobicContact CG-CG2 4.36Å; R141-D164 IonicContact CZ-OD2 3.26Å; R141-D164 IonicContact NE-OD2 3.73Å; R141-D164 PolarHBondContact NE-OD2 3.26Å; R141-D164 IonicContact NH1-OD2 2.71Å; R141-D164 PolarHBondContact NH1-OD2 3.05Å; R141-D164 IonicContact NH2-OD2 2.74Å; R141-D164 PolarHBondContact NH2-OD2 3.26Å
142V93Very high95.1Very high25 Ų2568.8 Ų68.815%0.15233%0.329CS..EExtended strand (participates in β ladder)trans-138.2105.9172.8177.60000104.3E129 Y140 T144 L145 F147E129-V142 HydrophobicContact CG-CB 4.42Å; E129-V142 HydrophobicContact CG-CG1 3.82Å; E129-V142 HydrophobicContact CG-CG2 4.39Å; E129-V142 WeakPolarHBondContact OE1-CG1 3.41Å; Y140-V142 HydrophobicContact CD2-CG2 3.99Å; Y140-V142 HydrophobicContact CE2-CG2 3.73Å; V142-T144 PolarHBondContact O-N 2.86Å; V142-L145 PolarHBondContact N-O 2.77Å; V142-L145 WeakPolarHBondContact O-CB 3.34Å; V142-L145 PolarHBondContact O-N 2.89Å; V142-F147 HydrophobicContact CB-CD2 4.22Å; V142-F147 HydrophobicContact CB-CE2 3.93Å; V142-F147 HydrophobicContact CG2-CD2 3.9Å; V142-F147 HydrophobicContact CG2-CE2 4.01Å
143D90.6Very high95.1Very high132 Ų13270.6 Ų70.671%0.70634%0.336SS*.THydrogen-bonded Turntrans49.6-122.1-161.9-61.4-45000112.2
144T92.6Very high94.8Very high71 Ų7170.6 Ų70.644%0.43636%0.357SS..THydrogen-bonded Turntrans-89.3-2.9175.859.60000112.9V142 C163 D164V142-T144 PolarHBondContact O-N 2.86Å; T144-C163 CarbonylContact O-C 3.57Å; T144-C163 WeakPolarHBondContact O-CA 3.44Å; T144-D164 PolarHBondContact O-N 3.39Å
145L94.9Very high94.7Very high38 Ų3876.4 Ų76.420%0.19938%0.382CS..EExtended strand (participates in β ladder)trans-89.4137.8-178.4-53.3179000110.2R141 V142 F147 F160R141-L145 WeakPolarHBondContact CA-O 3.31Å; V142-L145 PolarHBondContact N-O 2.77Å; V142-L145 WeakPolarHBondContact O-CB 3.34Å; V142-L145 PolarHBondContact O-N 2.89Å; L145-F147 HydrophobicContact CB-CD2 4.44Å; L145-F147 HydrophobicContact CB-CE2 3.6Å; L145-F147 HydrophobicContact CB-CZ 4.06Å; L145-F147 HydrophobicContact CD1-CE2 4.36Å; L145-F147 HydrophobicContact CD1-CZ 4.21Å; L145-F160 HydrophobicContact CB-CD2 4.4Å; L145-F160 HydrophobicContact CB-CE2 4.05Å; L145-F160 HydrophobicContact CD2-CE2 3.69Å; L145-F160 HydrophobicContact CD2-CZ 4.22Å; L145-F160 HydrophobicContact CG-CE2 4.37Å
146V96.8Very high94.8Very high3 Ų373.8 Ų73.82%0.01837%0.37CS..EExtended strand (participates in β ladder)trans-112.5128.6178.2-166.50000109.8K139 Y140 R141 I161 G162 D164 I169K139-V146 HydrophobicContact CB-CG1 4.45Å; Y140-V146 WeakPolarHBondContact O-CA 2.94Å; R141-V146 HydrophobicContact CG-CG2 4.36Å; V146-I161 HydrophobicContact CB-CG1 4.07Å; V146-I161 HydrophobicContact CG1-CD1 3.85Å; V146-I161 HydrophobicContact CG1-CG1 3.9Å; V146-I161 VanDerWaalsContact O-CG1 3.3Å; V146-I161 WeakPolarHBondContact O-CG1 3.47Å; V146-I161 PolarHBondContact O-N 2.85Å; V146-G162 PolarHBondContact N-O 2.86Å; V146-G162 PolarHBondContact O-N 2.03Å; V146-D164 HydrophobicContact CG2-CB 3.77Å; V146-I169 HydrophobicContact CB-CG2 4.45Å; V146-I169 HydrophobicContact CG1-CD1 3.92Å; V146-I169 HydrophobicContact CG1-CG1 4.46Å; V146-I169 HydrophobicContact CG2-CG1 4.25Å; V146-I169 HydrophobicContact CG2-CG2 4.45Å
147F97.7Very high94.9Very high1 Ų173 Ų730%0.00436%0.364CS..EExtended strand (participates in β ladder)trans-115.9153.7179.5-66.3-84.4000111K107 K139 Y140 V142 L145 A158 I159 F160 E187K107-F147 HydrophobicContact CD-CD1 4.14Å; K107-F147 HydrophobicContact CD-CE1 3.76Å; K107-F147 HydrophobicContact CD-CZ 4.05Å; K107-F147 VanDerWaalsContact CE-CE1 3.46Å; K107-F147 VanDerWaalsContact NZ-CE1 3.27Å; K139-F147 CarbonylContact C-O 3.48Å; K139-F147 WeakPolarHBondContact CA-O 3.41Å; Y140-F147 HydrophobicContact CD1-CB 3.85Å; Y140-F147 HydrophobicContact CD2-CB 4.46Å; Y140-F147 HydrophobicContact CE1-CB 3.35Å; Y140-F147 HydrophobicContact CE1-CG 4.4Å; Y140-F147 HydrophobicContact CE2-CB 4.03Å; Y140-F147 HydrophobicContact CE2-CD2 4.27Å; Y140-F147 HydrophobicContact CE2-CG 4.38Å; Y140-F147 HydrophobicContact CG-CB 4.39Å; Y140-F147 VanDerWaalsContact CZ-CB 3.45Å; Y140-F147 PolarHBondContact N-O 3.05Å; Y140-F147 PolarHBondContact O-N 3.46Å; V142-F147 HydrophobicContact CB-CD2 4.22Å; V142-F147 HydrophobicContact CB-CE2 3.93Å; V142-F147 HydrophobicContact CG2-CD2 3.9Å; V142-F147 HydrophobicContact CG2-CE2 4.01Å; L145-F147 HydrophobicContact CB-CD2 4.44Å; L145-F147 HydrophobicContact CB-CE2 3.6Å; L145-F147 HydrophobicContact CB-CZ 4.06Å; L145-F147 HydrophobicContact CD1-CE2 4.36Å; L145-F147 HydrophobicContact CD1-CZ 4.21Å; F147-A158 HydrophobicContact CD1-CB 4.4Å; F147-I159 CarbonylContact C-O 3.42Å; F147-I159 WeakPolarHBondContact CA-O 3.35Å; F147-F160 HydrophobicContact CD1-CB 4.17Å; F147-F160 HydrophobicContact CE1-CB 3.8Å; F147-F160 HydrophobicContact CE1-CD2 4.13Å; F147-F160 HydrophobicContact CE1-CG 4.46Å; F147-F160 HydrophobicContact CZ-CD2 4.18Å; F147-E187 WeakPolarHBondContact CE1-OE1 3.26Å
148Y97.6Very high95Very high78 Ų7872.1 Ų72.131%0.30635%0.353SS..EExtended strand (participates in β ladder)trans-116.3128.6169.2-178.9-106.2000109.2G137 K139 Q150 I159G137-Y148 VanDerWaalsContact C-CE2 3.47Å; G137-Y148 WeakPolarHBondContact CA-OH 3.38Å; G137-Y148 WeakPolarHBondContact O-CE2 3.2Å; K139-Y148 HydrophobicContact CG-CD2 4Å; Y148-Q150 HydrophobicContact CD1-CB 4.09Å; Y148-Q150 HydrophobicContact CE1-CB 4.06Å; Y148-Q150 HydrophobicContact CE1-CG 4.48Å; Y148-I159 PolarHBondContact N-O 2.81Å; Y148-I159 PolarHBondContact O-N 2.88Å
149C97.9Very high95Very high0 Ų070.9 Ų70.90%035%0.349CS..EExtended strand (participates in β ladder)trans-86.1122.7179.1-161.20000111.2C126 I134 Q135 G137 Q138 Y140 M156C126-C149 HydrophobicContact CB-CB 3.72Å; C126-C149 WeakPolarHBondContact CB-SG 3.32Å; C126-C149 PolarHBondContact N-SG 3.21Å; C126-C149 WeakPolarHBondContact SG-CA 3.03Å; C126-C149 WeakPolarHBondContact SG-CB 3.46Å; C126-C149 CovalentContact SG-SG 2.04Å; C126-C149 PolarHBondContact SG-SG 2.98Å; I134-C149 HydrophobicContact CG2-CB 4.25Å; Q135-C149 WeakPolarHBondContact O-CB 3.3Å; G137-C149 PolarHBondContact N-O 2.76Å; Q138-C149 PolarHBondContact O-N 3.14Å; Y140-C149 HydrophobicContact CE1-CB 4.46Å; C149-M156 VanDerWaalsContact SG-CE 3.52Å
150Q96Very high95Very high75 Ų7565.6 Ų65.635%0.3533%0.326SS..EExtended strand (participates in β ladder)trans-134.9150.6-176.7-174.4167.61400112Y148 E157 I159Y148-Q150 HydrophobicContact CD1-CB 4.09Å; Y148-Q150 HydrophobicContact CE1-CB 4.06Å; Y148-Q150 HydrophobicContact CE1-CG 4.48Å; Q150-E157 PolarHBondContact N-O 3.46Å; Q150-E157 PolarHBondContact O-N 2.93Å; Q150-I159 HydrophobicContact CB-CD1 3.88Å; Q150-I159 HydrophobicContact CG-CD1 4.43Å
151L95.4Very high95.1Very high88 Ų8867.1 Ų67.146%0.46133%0.334SS..EExtended strand (participates in β ladder)trans-100.3118.8164.1-174.573.4000108.6I136 K155 M156I136-L151 HydrophobicContact CD1-CB 4.05Å; I136-L151 HydrophobicContact CG2-CB 4.44Å; L151-K155 WeakPolarHBondContact CA-O 3.5Å; L151-M156 HydrophobicContact CB-SD 4.25Å; L151-M156 HydrophobicContact CD1-CG 4.32Å; L151-M156 HydrophobicContact CD1-SD 3.66Å
152R93.9Very high95.3Very high139 Ų13959.4 Ų59.453%0.52531%0.305SS..EExtended strand (participates in β ladder)trans-127.3123.8178.8-173.8-179.9-179.1177.31.3109.4G154 K155 E157R152-G154 PolarHBondContact O-N 2.92Å; R152-G154 VanDerWaalsContact O-N 3.14Å; R152-K155 PolarHBondContact N-O 2.82Å; R152-K155 PolarHBondContact O-N 3.07Å; R152-E157 WeakPolarHBondContact CD-OE2 3.37Å
153E93.8Very high95.4Very high155 Ų15558.3 Ų58.372%0.72430%0.299SS*.THydrogen-bonded Turntrans51.737.9-179.5-61176.7-159.900113.4K155E153-K155 VanDerWaalsContact C-N 3.26Å; E153-K155 PolarHBondContact O-N 2.95Å
154G89Confident95.6Very high69 Ų6953.1 Ų53.171%0.71127%0.271SS*.THydrogen-bonded Turntrans74.29.2-177.900000115R152R152-G154 PolarHBondContact O-N 2.92Å; R152-G154 VanDerWaalsContact O-N 3.14Å
155K93.4Very high95.7Very high146 Ų14652.6 Ų52.664%0.63527%0.265SS*.EExtended strand (participates in β ladder)trans-114.8139.4177-62.3180-177.7175.80111L151 R152 E153L151-K155 WeakPolarHBondContact CA-O 3.5Å; R152-K155 PolarHBondContact N-O 2.82Å; R152-K155 PolarHBondContact O-N 3.07Å; E153-K155 VanDerWaalsContact C-N 3.26Å; E153-K155 PolarHBondContact O-N 2.95Å
156M95Very high95.5Very high18 Ų1854.2 Ų54.29%0.08929%0.291CS..EExtended strand (participates in β ladder)trans-77.7131.4174.3-67.6-60.5-57.200110.3L108 A123 I136 C149 L151L108-M156 HydrophobicContact CD2-CB 4.14Å; A123-M156 HydrophobicContact CB-CB 3.85Å; A123-M156 HydrophobicContact CB-CG 3.98Å; A123-M156 WeakPolarHBondContact O-CG 3.07Å; I136-M156 HydrophobicContact CD1-CE 4.21Å; I136-M156 HydrophobicContact CD1-SD 3.86Å; I136-M156 HydrophobicContact CG1-CE 3.51Å; I136-M156 HydrophobicContact CG1-SD 3.85Å; C149-M156 VanDerWaalsContact SG-CE 3.52Å; L151-M156 HydrophobicContact CB-SD 4.25Å; L151-M156 HydrophobicContact CD1-CG 4.32Å; L151-M156 HydrophobicContact CD1-SD 3.66Å
157E96.6Very high95.4Very high65 Ų6559.6 Ų59.630%0.30433%0.329SS..EExtended strand (participates in β ladder)trans-131.5140.3-179.7-65.6-175.3175.400110.9C126 Q150 R152 I159C126-E157 PolarHBondContact SG-O 3.15Å; Q150-E157 PolarHBondContact N-O 3.46Å; Q150-E157 PolarHBondContact O-N 2.93Å; R152-E157 WeakPolarHBondContact CD-OE2 3.37Å; E157-I159 HydrophobicContact CB-CG1 4.37Å
158A97Very high95.3Very high21 Ų2161.2 Ų61.217%0.17435%0.345CS..EExtended strand (participates in β ladder)trans-104.1104.3169.700000108.7K107 Y140 F147K107-A158 HydrophobicContact CB-CB 3.54Å; K107-A158 HydrophobicContact CD-CB 3.97Å; K107-A158 HydrophobicContact CG-CB 4.36Å; Y140-A158 WeakPolarHBondContact OH-CB 3.44Å; F147-A158 HydrophobicContact CD1-CB 4.4Å
159I97.1Very high95.3Very high55 Ų5560.9 Ų60.928%0.28235%0.348SS..EExtended strand (participates in β ladder)trans-94121.6-173.1-58.5177.2000109.1F147 Y148 Q150 E157 I161F147-I159 CarbonylContact C-O 3.42Å; F147-I159 WeakPolarHBondContact CA-O 3.35Å; Y148-I159 PolarHBondContact N-O 2.81Å; Y148-I159 PolarHBondContact O-N 2.88Å; Q150-I159 HydrophobicContact CB-CD1 3.88Å; Q150-I159 HydrophobicContact CG-CD1 4.43Å; E157-I159 HydrophobicContact CB-CG1 4.37Å; I159-I161 HydrophobicContact CG2-CG2 4.27Å; I159-I161 PolarHBondContact O-N 3.05Å
160F97.3Very high95.2Very high24 Ų2461.6 Ų61.611%0.10535%0.353CS..EExtended strand (participates in β ladder)trans-66.2122.2171177.3-114.8000110.6L145 F147 G162 P172 C185 E187L145-F160 HydrophobicContact CB-CD2 4.4Å; L145-F160 HydrophobicContact CB-CE2 4.05Å; L145-F160 HydrophobicContact CD2-CE2 3.69Å; L145-F160 HydrophobicContact CD2-CZ 4.22Å; L145-F160 HydrophobicContact CG-CE2 4.37Å; F147-F160 HydrophobicContact CD1-CB 4.17Å; F147-F160 HydrophobicContact CE1-CB 3.8Å; F147-F160 HydrophobicContact CE1-CD2 4.13Å; F147-F160 HydrophobicContact CE1-CG 4.46Å; F147-F160 HydrophobicContact CZ-CD2 4.18Å; F160-G162 WeakPolarHBondContact CE2-O 3.44Å; F160-P172 HydrophobicContact CD1-CB 4.15Å; F160-P172 HydrophobicContact CD1-CG 3.69Å; F160-P172 HydrophobicContact CE1-CB 3.73Å; F160-P172 HydrophobicContact CE1-CG 3.55Å; F160-C185 VanDerWaalsContact CZ-SG 3.57Å; F160-E187 HydrophobicContact CB-CB 4.12Å; F160-E187 HydrophobicContact CB-CG 3.97Å; F160-E187 WeakPolarHBondContact CB-OE2 3.5Å; F160-E187 HydrophobicContact CD1-CB 3.61Å; F160-E187 HydrophobicContact CD1-CG 4.38Å; F160-E187 HydrophobicContact CD2-CB 4.17Å; F160-E187 HydrophobicContact CD2-CG 4.3Å; F160-E187 HydrophobicContact CE1-CB 3.91Å; F160-E187 HydrophobicContact CE2-CB 4.46Å; F160-E187 HydrophobicContact CG-CB 3.71Å; F160-E187 HydrophobicContact CG-CG 3.98Å; F160-E187 HydrophobicContact CZ-CB 4.32Å
161I97.7Very high95.3Very high45 Ų4564.3 Ų64.323%0.23136%0.363CS..EExtended strand (participates in β ladder)trans-114.4-6.5-178.461.3163.6000113.4K139 V146 I159 I169 P172K139-I161 HydrophobicContact CD-CD1 3.7Å; K139-I161 HydrophobicContact CG-CD1 3.83Å; V146-I161 HydrophobicContact CB-CG1 4.07Å; V146-I161 HydrophobicContact CG1-CD1 3.85Å; V146-I161 HydrophobicContact CG1-CG1 3.9Å; V146-I161 VanDerWaalsContact O-CG1 3.3Å; V146-I161 WeakPolarHBondContact O-CG1 3.47Å; V146-I161 PolarHBondContact O-N 2.85Å; I159-I161 HydrophobicContact CG2-CG2 4.27Å; I159-I161 PolarHBondContact O-N 3.05Å; I161-I169 HydrophobicContact CD1-CD1 4.13Å; I161-P172 WeakPolarHBondContact O-CD 3.41Å
162G97.6Very high95.4Very high0 Ų063.6 Ų63.60%036%0.364CS..EExtended strand (participates in β ladder)trans149.4-166.6177.700000114.1V146 F160 V170V146-G162 PolarHBondContact N-O 2.86Å; V146-G162 PolarHBondContact O-N 2.03Å; F160-G162 WeakPolarHBondContact CE2-O 3.44Å; G162-V170 CarbonylContact C-O 3.59Å; G162-V170 WeakPolarHBondContact CA-O 3.47Å
163C96.6Very high95.5Very high2 Ų259.4 Ų59.41%0.01436%0.364CS..EExtended strand (participates in β ladder)trans-121.1136.9-178.5-52.30000109.5T144 I169 V170 Y176 C185T144-C163 CarbonylContact O-C 3.57Å; T144-C163 WeakPolarHBondContact O-CA 3.44Å; C163-I169 CarbonylContact O-C 3.47Å; C163-I169 WeakPolarHBondContact O-CA 3.4Å; C163-V170 PolarHBondContact N-O 3.47Å; C163-V170 PolarHBondContact O-N 3.32Å; C163-Y176 HydrophobicContact CB-CE1 3.99Å; C163-C185 HydrophobicContact CB-CB 3.83Å; C163-C185 WeakPolarHBondContact CB-SG 3.16Å; C163-C185 PolarHBondContact N-SG 3.02Å; C163-C185 WeakPolarHBondContact SG-CA 3.2Å; C163-C185 WeakPolarHBondContact SG-CB 3.35Å; C163-C185 CovalentContact SG-SG 2.05Å; C163-C185 PolarHBondContact SG-SG 3.36Å
164D94.7Very high95.7Very high23 Ų2356.5 Ų56.512%0.12335%0.351CS..EExtended strand (participates in β ladder)trans-87.4120.1173.3-173.68.8000110.2R141 T144 V146 G166 G168R141-D164 IonicContact CZ-OD2 3.26Å; R141-D164 IonicContact NE-OD2 3.73Å; R141-D164 PolarHBondContact NE-OD2 3.26Å; R141-D164 IonicContact NH1-OD2 2.71Å; R141-D164 PolarHBondContact NH1-OD2 3.05Å; R141-D164 IonicContact NH2-OD2 2.74Å; R141-D164 PolarHBondContact NH2-OD2 3.26Å; T144-D164 PolarHBondContact O-N 3.39Å; V146-D164 HydrophobicContact CG2-CB 3.77Å; D164-G166 PolarHBondContact OD1-N 2.71Å; D164-G168 WeakPolarHBondContact CA-O 3.47Å
165N93.4Very high96Very high60 Ų6057 Ų5732%0.32134%0.343SS..  trans-104.613.2175.872.7-7000113S167 G168 V170 Y176N165-S167 PolarHBondContact O-N 3.26Å; N165-S167 WeakPolarHBondContact OD1-CA 3.49Å; N165-S167 WeakPolarHBondContact OD1-CB 3.27Å; N165-S167 PolarHBondContact OD1-N 3.39Å; N165-G168 PolarHBondContact N-O 3.31Å; N165-G168 PolarHBondContact OD1-N 2.81Å; N165-G168 VanDerWaalsContact OD1-N 3.1Å; N165-G168 PolarHBondContact OD1-O 2.74Å; N165-V170 HydrophobicContact CB-CG2 4.19Å; N165-Y176 HydrophobicContact CB-CD2 3.58Å; N165-Y176 HydrophobicContact CB-CE2 4.06Å; N165-Y176 HydrophobicContact CB-CG 4.3Å
166G92.3Very high96Very high71 Ų7151.5 Ų51.573%0.73232%0.319SS*.SBendtrans82-19.6-175.400000114.5D164D164-G166 PolarHBondContact OD1-N 2.71Å
167S94.3Very high95.8Very high117 Ų11755.6 Ų55.682%0.81834%0.341SS*.SBendtrans-99.2-13.2173.5-57.30000113.2N165N165-S167 PolarHBondContact O-N 3.26Å; N165-S167 WeakPolarHBondContact OD1-CA 3.49Å; N165-S167 WeakPolarHBondContact OD1-CB 3.27Å; N165-S167 PolarHBondContact OD1-N 3.39Å
168G95.3Very high95.4Very high34 Ų3456 Ų5635%0.35135%0.345SS..SBendtrans156.8-172.4-177.700000112.7D164 N165D164-G168 WeakPolarHBondContact CA-O 3.47Å; N165-G168 PolarHBondContact N-O 3.31Å; N165-G168 PolarHBondContact OD1-N 2.81Å; N165-G168 VanDerWaalsContact OD1-N 3.1Å; N165-G168 PolarHBondContact OD1-O 2.74Å
169I97Very high95Very high71 Ų7158.2 Ų58.236%0.36437%0.37SS..EExtended strand (participates in β ladder)trans-93113.2177.9-55.4174.3000108.9K139 V146 I161 C163K139-I169 HydrophobicContact CD-CD1 4.14Å; V146-I169 HydrophobicContact CB-CG2 4.45Å; V146-I169 HydrophobicContact CG1-CD1 3.92Å; V146-I169 HydrophobicContact CG1-CG1 4.46Å; V146-I169 HydrophobicContact CG2-CG1 4.25Å; V146-I169 HydrophobicContact CG2-CG2 4.45Å; I161-I169 HydrophobicContact CD1-CD1 4.13Å; C163-I169 CarbonylContact O-C 3.47Å; C163-I169 WeakPolarHBondContact O-CA 3.4Å
170V97.1Very high94.7Very high15 Ų1563.8 Ų63.89%0.09140%0.395CS..EExtended strand (participates in β ladder)trans-80131171.7-179.60000108.8G162 C163 N165 E174 Y176 C185G162-V170 CarbonylContact C-O 3.59Å; G162-V170 WeakPolarHBondContact CA-O 3.47Å; C163-V170 PolarHBondContact N-O 3.47Å; C163-V170 PolarHBondContact O-N 3.32Å; N165-V170 HydrophobicContact CB-CG2 4.19Å; V170-E174 HydrophobicContact CG1-CB 3.61Å; V170-Y176 HydrophobicContact CB-CD1 4.27Å; V170-Y176 HydrophobicContact CG1-CD1 3.94Å; V170-Y176 HydrophobicContact CG1-CG 4.38Å; V170-Y176 HydrophobicContact CG2-CD1 4.22Å; V170-Y176 HydrophobicContact CG2-CG 3.98Å; V170-C185 HydrophobicContact CB-CB 4.45Å; V170-C185 HydrophobicContact CG1-CB 3.99Å; V170-C185 PolarHBondContact O-SG 3.31Å
171K97.5Very high94.5Very high133 Ų13366.3 Ų66.358%0.57841%0.406SS*.PPolyproline II helixtrans-71.6155.5-174.9-64.1177.4-175.7166.40111.6G173 E174 C185K171-G173 PolarHBondContact O-N 2.78Å; K171-E174 HydrophobicContact CB-CG 4.17Å; K171-E174 PolarHBondContact N-OE2 2.9Å; K171-E174 VanDerWaalsContact N-OE2 3.12Å; K171-E174 WeakPolarHBondContact O-CB 3.34Å; K171-E174 PolarHBondContact O-N 3.36Å; K171-C185 WeakPolarHBondContact O-CB 3.3Å
172P97.1Very high94.3Very high72 Ų7270.5 Ų70.547%0.46843%0.427SS..THydrogen-bonded Turntrans-52.3128.1172.3-25.835.4000111.6F160 I161F160-P172 HydrophobicContact CD1-CB 4.15Å; F160-P172 HydrophobicContact CD1-CG 3.69Å; F160-P172 HydrophobicContact CE1-CB 3.73Å; F160-P172 HydrophobicContact CE1-CG 3.55Å; I161-P172 WeakPolarHBondContact O-CD 3.41Å
173G96.4Very high94.1Very high52 Ų5271.4 Ų71.454%0.53644%0.435SS..THydrogen-bonded Turntrans90.7-15.9-179.100000115.4K171 C185K171-G173 PolarHBondContact O-N 2.78Å; G173-C185 PolarHBondContact N-O 2.95Å
174E96.9Very high94Very high94 Ų9475 Ų7544%0.43946%0.457SS..  trans-77.8147.7176.4-68.5177.3173.200111.1V170 K171 C185V170-E174 HydrophobicContact CG1-CB 3.61Å; K171-E174 HydrophobicContact CB-CG 4.17Å; K171-E174 PolarHBondContact N-OE2 2.9Å; K171-E174 VanDerWaalsContact N-OE2 3.12Å; K171-E174 WeakPolarHBondContact O-CB 3.34Å; K171-E174 PolarHBondContact O-N 3.36Å; E174-C185 PolarHBondContact O-N 2.94Å
175S95.5Very high94.1Very high80 Ų8073.9 Ų73.956%0.55945%0.451SS*.EExtended strand (participates in β ladder)trans-88.6147.9173.458.30000111.5A183S175-A183 CarbonylContact C-O 3.56Å; S175-A183 WeakPolarHBondContact CA-O 3.35Å; S175-A183 WeakPolarHBondContact CB-O 3.47Å
176Y94Very high94.2Very high29 Ų2975.4 Ų75.411%0.11446%0.456CS..EExtended strand (participates in β ladder)trans-146.2156175.966.9-81.4000110.6C163 N165 V170 D178 I182 A183 C185C163-Y176 HydrophobicContact CB-CE1 3.99Å; N165-Y176 HydrophobicContact CB-CD2 3.58Å; N165-Y176 HydrophobicContact CB-CE2 4.06Å; N165-Y176 HydrophobicContact CB-CG 4.3Å; V170-Y176 HydrophobicContact CB-CD1 4.27Å; V170-Y176 HydrophobicContact CG1-CD1 3.94Å; V170-Y176 HydrophobicContact CG1-CG 4.38Å; V170-Y176 HydrophobicContact CG2-CD1 4.22Å; V170-Y176 HydrophobicContact CG2-CG 3.98Å; Y176-D178 HydrophobicContact CE2-CB 4.06Å; Y176-I182 CarbonylContact O-C 3.45Å; Y176-I182 WeakPolarHBondContact O-CA 3.48Å; Y176-A183 HydrophobicContact CD1-CB 4.47Å; Y176-A183 HydrophobicContact CE1-CB 4.02Å; Y176-A183 HydrophobicContact CE2-CB 4.38Å; Y176-A183 PolarHBondContact N-O 2.97Å; Y176-A183 PolarHBondContact O-N 2.94Å; Y176-C185 HydrophobicContact CD1-CB 4.22Å; Y176-C185 HydrophobicContact CE1-CB 3.98Å
177N91.5Very high93.9Very high105 Ų10576.6 Ų76.656%0.56144%0.443SS*.EExtended strand (participates in β ladder)trans-87.2121.5172.3-169.7-18.5000108.8G179 K181N177-G179 VanDerWaalsContact C-N 3.26Å; N177-G179 WeakPolarHBondContact OD1-CA 3.01Å; N177-G179 PolarHBondContact OD1-N 2.85Å; N177-K181 WeakPolarHBondContact CA-O 3.44Å; N177-K181 PolarHBondContact OD1-O 2.96Å
178D87.3Confident92.9Very high72 Ų7274.3 Ų74.339%0.38544%0.438SS..  trans-86.23.6176.668.16.9000113.2Y176 Q180 K181Y176-D178 HydrophobicContact CE2-CB 4.06Å; D178-Q180 WeakPolarHBondContact OD1-CA 3.44Å; D178-Q180 WeakPolarHBondContact OD1-CB 3.03Å; D178-Q180 PolarHBondContact OD1-N 3Å; D178-K181 PolarHBondContact N-O 2.79Å; D178-K181 VanDerWaalsContact N-O 3.07Å; D178-K181 PolarHBondContact OD1-N 2.89Å; D178-K181 VanDerWaalsContact OD1-O 3.06Å
179G89.2Confident91Very high68 Ų6879.9 Ų79.970%0.70145%0.452SS*.SBendtrans96.8-17-173.900000113.7N177N177-G179 VanDerWaalsContact C-N 3.26Å; N177-G179 WeakPolarHBondContact OD1-CA 3.01Å; N177-G179 PolarHBondContact OD1-N 2.85Å
180Q91.1Very high88.9Confident172 Ų17286.2 Ų86.280%0.80448%0.477SS*.SBendtrans-116.9-37.2178.3-60.8-176.76.900112.3D178D178-Q180 WeakPolarHBondContact OD1-CA 3.44Å; D178-Q180 WeakPolarHBondContact OD1-CB 3.03Å; D178-Q180 PolarHBondContact OD1-N 3Å
181K92.6Very high86.2Confident78 Ų7888.6 Ų88.634%0.33949%0.494SS..SBendtrans-154.6167.5-176.161.6-174.6178.6-175.50111.4N177 D178 A183N177-K181 WeakPolarHBondContact CA-O 3.44Å; N177-K181 PolarHBondContact OD1-O 2.96Å; D178-K181 PolarHBondContact N-O 2.79Å; D178-K181 VanDerWaalsContact N-O 3.07Å; D178-K181 PolarHBondContact OD1-N 2.89Å; D178-K181 VanDerWaalsContact OD1-O 3.06Å; K181-A183 PolarHBondContact O-N 2.85Å
182I93.8Very high83.3Confident132 Ų13286.3 Ų86.368%0.67750%0.495SS*.EExtended strand (participates in β ladder)trans-79117.3167.7-59.1174.7000107.9Y176Y176-I182 CarbonylContact O-C 3.45Å; Y176-I182 WeakPolarHBondContact O-CA 3.48Å
183A92.7Very high80.6Confident20 Ų2089.9 Ų89.917%0.16550%0.503CS..EExtended strand (participates in β ladder)trans-105.1159.3173.500000110.4S175 Y176 K181S175-A183 CarbonylContact C-O 3.56Å; S175-A183 WeakPolarHBondContact CA-O 3.35Å; S175-A183 WeakPolarHBondContact CB-O 3.47Å; Y176-A183 HydrophobicContact CD1-CB 4.47Å; Y176-A183 HydrophobicContact CE1-CB 4.02Å; Y176-A183 HydrophobicContact CE2-CB 4.38Å; Y176-A183 PolarHBondContact N-O 2.97Å; Y176-A183 PolarHBondContact O-N 2.94Å; K181-A183 PolarHBondContact O-N 2.85Å
184V94.9Very high78Confident76 Ų7694.3 Ų94.346%0.46152%0.515SS..EExtended strand (participates in β ladder)trans-109.5130170.9-178.30000108.2Q186V184-Q186 HydrophobicContact CG1-CG 4.02Å; V184-Q186 PolarHBondContact O-N 2.79Å
185C96.5Very high75.1Confident1 Ų194.7 Ų94.71%0.00753%0.528CS..  trans-72.2112.1-179.5-179.70000111.6F160 C163 V170 K171 G173 E174 Y176F160-C185 VanDerWaalsContact CZ-SG 3.57Å; C163-C185 HydrophobicContact CB-CB 3.83Å; C163-C185 WeakPolarHBondContact CB-SG 3.16Å; C163-C185 PolarHBondContact N-SG 3.02Å; C163-C185 WeakPolarHBondContact SG-CA 3.2Å; C163-C185 WeakPolarHBondContact SG-CB 3.35Å; C163-C185 CovalentContact SG-SG 2.05Å; C163-C185 PolarHBondContact SG-SG 3.36Å; V170-C185 HydrophobicContact CB-CB 4.45Å; V170-C185 HydrophobicContact CG1-CB 3.99Å; V170-C185 PolarHBondContact O-SG 3.31Å; K171-C185 WeakPolarHBondContact O-CB 3.3Å; G173-C185 PolarHBondContact N-O 2.95Å; E174-C185 PolarHBondContact O-N 2.94Å; Y176-C185 HydrophobicContact CD1-CB 4.22Å; Y176-C185 HydrophobicContact CE1-CB 3.98Å
186Q94.9Very high72.7Confident92 Ų9297 Ų9743%0.4354%0.538SS..  trans-144.5142.9-178.4-63.6-173.2-18.100111.9V184 G188V184-Q186 HydrophobicContact CG1-CG 4.02Å; V184-Q186 PolarHBondContact O-N 2.79Å; Q186-G188 PolarHBondContact O-N 3.21Å
187E87.4Confident70.2Confident96 Ų96104 Ų10445%0.44957%0.573SS.*SBendtrans-77.8108.9171.9-166.6177.1-167.600109.5K107 F147 F160K107-E187 IonicContact NZ-OE1 2.67Å; K107-E187 PolarHBondContact NZ-OE1 2.84Å; F147-E187 WeakPolarHBondContact CE1-OE1 3.26Å; F160-E187 HydrophobicContact CB-CB 4.12Å; F160-E187 HydrophobicContact CB-CG 3.97Å; F160-E187 WeakPolarHBondContact CB-OE2 3.5Å; F160-E187 HydrophobicContact CD1-CB 3.61Å; F160-E187 HydrophobicContact CD1-CG 4.38Å; F160-E187 HydrophobicContact CD2-CB 4.17Å; F160-E187 HydrophobicContact CD2-CG 4.3Å; F160-E187 HydrophobicContact CE1-CB 3.91Å; F160-E187 HydrophobicContact CE2-CB 4.46Å; F160-E187 HydrophobicContact CG-CB 3.71Å; F160-E187 HydrophobicContact CG-CG 3.98Å; F160-E187 HydrophobicContact CZ-CB 4.32Å
188G72.3Confident67.9Low69 Ų69106.5 Ų106.571%0.71158%0.581SS**SBendtrans96.715.7162.700000118.3Q186Q186-G188 PolarHBondContact O-N 3.21Å
189K55Low65.7Low151 Ų151110.3 Ų110.366%0.65760%0.601SS**  trans-90.6103.7147.6-77.5-174.3-179.7178.40107.5S191K189-S191 PolarHBondContact O-N 3.37Å
190K52.9Low63.2Low204 Ų204116.2 Ų116.289%0.88760%0.604SS**  trans-42.9118.4149.5-106.1-176177.9179.60104.3S192K190-S192 VanDerWaalsContact C-N 3.33Å; K190-S192 PolarHBondContact O-N 3.49Å
191S41Very low60.8Low65 Ų65113.9 Ų113.946%0.45560%0.604SS.*  trans-39.9101.9-178.7158.20000108.3K189 F193K189-S191 PolarHBondContact O-N 3.37Å; S191-F193 WeakPolarHBondContact O-CD2 3.44Å; S191-F193 PolarHBondContact O-N 3.47Å; S191-F193 WeakPolarHBondContact OG-CD2 3.2Å; S191-F193 VanDerWaalsContact OG-CE2 3.24Å; S191-F193 WeakPolarHBondContact OG-CE2 3.43Å
192S36Very low58.3Low84 Ų84113.4 Ų113.459%0.58762%0.621SS**  trans-73.594.9170.864.40000102.6K190 N194K190-S192 VanDerWaalsContact C-N 3.33Å; K190-S192 PolarHBondContact O-N 3.49Å; S192-N194 VanDerWaalsContact C-N 3.26Å; S192-N194 PolarHBondContact O-N 3.42Å
193F40.1Very low56.1Low147 Ų147115.5 Ų115.565%0.64563%0.633SS**  trans-59.6101.9167.2-73.4-89.3000105.6S191 S195S191-F193 WeakPolarHBondContact O-CD2 3.44Å; S191-F193 PolarHBondContact O-N 3.47Å; S191-F193 WeakPolarHBondContact OG-CD2 3.2Å; S191-F193 VanDerWaalsContact OG-CE2 3.24Å; S191-F193 WeakPolarHBondContact OG-CE2 3.43Å; F193-S195 PolarHBondContact O-N 3.46Å
194N42.6Very low54Low145 Ų145124 Ų12478%0.77567%0.669SS**  trans-61.297152.1-79.1-9.4000104S192 T196S192-N194 VanDerWaalsContact C-N 3.26Å; S192-N194 PolarHBondContact O-N 3.42Å; N194-T196 PolarHBondContact O-N 2.79Å
195S36.5Very low51.5Low102 Ų102124.3 Ų124.371%0.71369%0.689SS**  trans-64.291.9168.4640000106.2F193 Q197F193-S195 PolarHBondContact O-N 3.46Å; S195-Q197 PolarHBondContact O-N 2.97Å
196T45.3Very low49Very low128 Ų128128 Ų12879%0.78573%0.727SS**  trans-63.2109.9155-36.20000104.5N194 Q198N194-T196 PolarHBondContact O-N 2.79Å; T196-Q198 PolarHBondContact O-N 3.36Å
197Q41.3Very low46.6Very low178 Ų178134.4 Ų134.483%0.83275%0.753SS**  trans-45.3100.4177.4-78.7173.6-41.200110S195S195-Q197 PolarHBondContact O-N 2.97Å
198Q42.1Very low44.6Very low156 Ų156133.3 Ų133.373%0.72977%0.768SS**  trans-90.7103.3152.6-78.6-169.8-1600106.3T196 Y200T196-Q198 PolarHBondContact O-N 3.36Å; Q198-Y200 HydrophobicContact CB-CD2 4.28Å; Q198-Y200 HydrophobicContact CB-CE2 4.17Å; Q198-Y200 PolarHBondContact O-N 2.95Å
199N41Very low43Very low153 Ų153135 Ų13582%0.81877%0.768SS**  trans-50.1106.5163.8-91.3-38.8000109.1
200Y37.1Very low42.7Very low191 Ų191136.8 Ų136.875%0.74978%0.779SS**  trans-115.1124.3156.3-81.2-81.4000107.7Q198Q198-Y200 HydrophobicContact CB-CD2 4.28Å; Q198-Y200 HydrophobicContact CB-CE2 4.17Å; Q198-Y200 PolarHBondContact O-N 2.95Å
201P40.2Very low42Very low124 Ų124132.9 Ų132.981%0.80577%0.772SS**  trans-71.6148.8173.631.2-30.5000109.5
202G40.7Very low42Very low68 Ų68135.3 Ų135.370%0.70178%0.784SS**  trans-76.9170.7-157.800000116.1
203N47.8Very low42Very low175 Ų175139.6 Ų139.694%0.93679%0.794SS**  trans-149.9137142.7-95.7-29.2000110.3
204Q47.9Very low41.7Very low198 Ų198138.1 Ų138.193%0.92580%0.803SS**  trans-81.5158.2-173.3-62.5178.1-000112.4
205G42.6Very low41.3Very low84 Ų84137.3 Ų137.387%0.86680%0.803SS**  trans111.9126.1158.600000112.8
206G44.4Very low41.2Very low78 Ų78137.9 Ų137.980%0.80481%0.807SS**  cis-168.8165.810.800000110.7
207K43.9Very low40.6Very low226 Ų226137.9 Ų137.998%0.98381%0.807SS**  trans-61.7137.1179.1-81169.5167.7173.90112.6
208G45.1Very low40.2Very low74 Ų74136 Ų13676%0.76381%0.807SS**  trans-154.4108160.400000110.4
209S39.9Very low39.8Very low103 Ų103139.6 Ų139.672%0.7281%0.814SS**  trans-102.7122.7176.2174.30000108.3
210H48.5Very low39.3Very low189 Ų189139.4 Ų139.488%0.87581%0.813SS**  trans-138.6114.8162-74.1-67.3000110.1
211T38Very low39.3Very low123 Ų123136.4 Ų136.476%0.75582%0.817SS**  trans-73.5166.8162.515.50000110.6
212V41.5Very low39Very low115 Ų115136.4 Ų136.470%0.69782%0.815SS**  trans109.9114.6145.7-165.80000117.8
213H34.5Very low39.1Very low174 Ų174140.8 Ų140.881%0.80682%0.822SS**  trans45.4127.8148.8-57.6-47.3000122.9
214S34.9Very low38.3Very low117 Ų117136.5 Ų136.582%0.81882%0.82SS**  trans-139.1101.1146.5-1690000110.4
215T34.2Very low37.7Very low128 Ų128135.9 Ų135.979%0.78582%0.819SS**  trans-84.4111.4164.619.90000108.6T217T215-T217 PolarHBondContact O-N 3.32Å
216S33.9Very low37.5Very low113 Ų113137.6 Ų137.679%0.7982%0.815SS**  trans-82.7111.4172.2-81.30000110.7
217T33.4Very low37Very low129 Ų129139.8 Ų139.879%0.79182%0.818SS**PPolyproline II helixtrans-83.3117.2170.5-21.20000109T215T215-T217 PolarHBondContact O-N 3.32Å
218V32.9Very low36.7Very low138 Ų138133.7 Ų133.784%0.83681%0.81SS**PPolyproline II helixtrans-81.9118.6169.3177.20000108.3
219R32.6Very low36.3Very low232 Ų232134 Ų13488%0.87581%0.813SS**PPolyproline II helixtrans-84.9128173.9-76.6-178.1-178.7176.20.6110.3
220N32.1Very low35.9Very low149 Ų149133.3 Ų133.380%0.79782%0.822SS**PPolyproline II helixtrans-72135.6164.5-94.3-32.6000110.7
221P37Very low35.3Very low127 Ų127128 Ų12883%0.82581%0.811SS**PPolyproline II helixtrans-83120163.84.911.9000110.5
222T32.4Very low35.1Very low125 Ų125132.2 Ų132.277%0.76782%0.822SS**PPolyproline II helixtrans-89.6118.4165.9-39.90000107.7
223N42.8Very low34.7Very low159 Ų159133.7 Ų133.785%0.8583%0.825SS**  trans174.6121.8143-83-20.7000109.9
224G32.5Very low34.9Very low86 Ų86134.3 Ų134.389%0.88783%0.826SS**  trans-79.7144.9178.800000112.5
225M35.1Very low35Very low184 Ų184132.6 Ų132.691%0.90681%0.812SS**  trans-117.2146173-161.4165.5174.600109.5
226P38.6Very low35.4Very low120 Ų120130.9 Ų130.978%0.77980%0.801SS**  trans-77.2145.8-169.6-7.124.6000112.7
227S33.9Very low36.1Very low125 Ų125129.3 Ų129.387%0.87479%0.787SS**  trans-66.3126.6176.5-173.90000112.3
228A38Very low37Very low98 Ų98127.3 Ų127.381%0.8177%0.77SS**  trans-106.3133.8169.100000109.9
229G36.4Very low37.7Very low80 Ų80123 Ų12383%0.82575%0.746SS**  trans-72.1140.8-167.700000116.1
230G31.2Very low38.7Very low89 Ų89119.2 Ų119.292%0.91874%0.742SS**  63.864.1120.600000118.9
231A34.7Very low39.6Very low78 Ų78118.4 Ų118.465%0.64573%0.734SS**  trans-129.3121.8151.400000109.1L233A231-L233 PolarHBondContact O-N 3.5Å
232Q35.8Very low40.9Very low211 Ų211123.5 Ų123.599%0.98674%0.737SS**  trans-67.896.5170-86.8-176.7-10.100108.5
233L33.1Very low42.6Very low145 Ų145123 Ų12376%0.75973%0.729SS**PPolyproline II helixtrans-78124.9168.7-70.9167.8000108.8A231A231-L233 PolarHBondContact O-N 3.5Å
234K37.3Very low44.3Very low188 Ų188117 Ų11782%0.81770%0.695SS**PPolyproline II helixtrans-69.2129.2173.5-156173.7-173.6179.30107.6T236K234-T236 PolarHBondContact O-N 3.4Å
235P37.3Very low46.5Very low81 Ų81115.8 Ų115.853%0.52667%0.665SS.*PPolyproline II helixtrans-60.5125.3-176.821.6-30.6000109.9M247P235-M247 HydrophobicContact CB-CB 4.34Å; P235-M247 HydrophobicContact CB-CG 4.31Å; P235-M247 HydrophobicContact CB-SD 4.17Å
236T42.4Very low48.8Very low92 Ų92108 Ų10856%0.56463%0.629SS**PPolyproline II helixtrans-96.1132173.7-57.40000108.2K234 I238K234-T236 PolarHBondContact O-N 3.4Å; T236-I238 HydrophobicContact CG2-CG1 4.23Å; T236-I238 PolarHBondContact O-N 3.28Å
237V48.7Very low50.9Low79 Ų79104.4 Ų104.448%0.47960%0.602SS.*BIsolated β-bridgetrans-80.7115.6177.8-178.30000107.8F245V237-F245 HydrophobicContact CB-CE2 4.28Å; V237-F245 HydrophobicContact CG1-CD2 4.19Å; V237-F245 HydrophobicContact CG1-CE2 3.72Å; V237-F245 HydrophobicContact CG2-CE2 3.56Å; V237-F245 HydrophobicContact CG2-CZ 3.73Å
238I51.6Low53.2Low88 Ų88102.3 Ų102.345%0.45158%0.581SS.*  trans-105.8-16.7-167-68.6160.5000114.1T236 D248T236-I238 HydrophobicContact CG2-CG1 4.23Å; T236-I238 PolarHBondContact O-N 3.28Å; I238-D248 HydrophobicContact CD1-CB 4.28Å; I238-D248 WeakPolarHBondContact CD1-OD1 3.3Å; I238-D248 WeakPolarHBondContact CD1-OD2 3.27Å
239S48.5Very low55.1Low47 Ų4798.6 Ų98.633%0.32955%0.549SS..  trans-165.6140.3175.3177.50000111E241S239-E241 WeakPolarHBondContact OG-CG 3.23Å
240L52.6Low56.8Low152 Ų15299.4 Ų99.480%0.79654%0.542SS*.  trans-106.962.2174-145.2114.9000108.7R242L240-R242 PolarHBondContact O-N 3.42Å; L240-R242 VanDerWaalsContact O-N 3.13Å
241E52.3Low58.8Low132 Ų13297.3 Ų97.362%0.61751%0.509SS*.  trans-78.195.7173.7-85.8-178.8-166.100110S239 N243 W244S239-E241 WeakPolarHBondContact OG-CG 3.23Å; E241-N243 PolarHBondContact O-N 3Å; E241-W244 PolarHBondContact O-N 3.5Å
242R62.9Low60.7Low234 Ų23499.6 Ų99.688%0.88351%0.51SS*.THydrogen-bonded Turntrans21.266.7167.1-62.2-171.4-166.5-168.73.4117.1L240L240-R242 PolarHBondContact O-N 3.42Å; L240-R242 VanDerWaalsContact O-N 3.13Å
243N70Confident62.7Low114 Ų11494.3 Ų94.361%0.6149%0.493SS*.THydrogen-bonded Turntrans103.93.7173.5-53.5-1.6000115.2E241 N293 F294E241-N243 PolarHBondContact O-N 3Å; N243-N293 WeakPolarHBondContact O-CA 2.95Å; N243-N293 PolarHBondContact O-ND2 3.38Å; N243-F294 PolarHBondContact O-N 3.25Å; N243-F294 VanDerWaalsContact O-N 3.1Å
244W77.9Confident65.2Low34 Ų3487.8 Ų87.813%0.12946%0.459CS..EExtended strand (participates in β ladder)trans-105.5131.9168.6-67.490.2000111.3E241 L278 F280 C291 I292 N293E241-W244 PolarHBondContact O-N 3.5Å; W244-L278 HydrophobicContact CH2-CB 4.5Å; W244-L278 HydrophobicContact CH2-CD2 3.83Å; W244-L278 HydrophobicContact CH2-CG 4.06Å; W244-F280 HydrophobicContact CH2-CB 4.26Å; W244-F280 HydrophobicContact CZ3-CB 3.99Å; W244-C291 HydrophobicContact CE3-CB 3.63Å; W244-C291 HydrophobicContact CZ3-CB 4.09Å; W244-I292 CarbonylContact C-O 3.53Å; W244-I292 WeakPolarHBondContact CA-O 3.5Å; W244-I292 VanDerWaalsContact CE3-C 3.46Å; W244-N293 HydrophobicContact CD2-CB 3.91Å; W244-N293 VanDerWaalsContact CE2-ND2 3.26Å; W244-N293 HydrophobicContact CE3-CB 3.76Å; W244-N293 HydrophobicContact CH2-CB 3.67Å; W244-N293 HydrophobicContact CZ2-CB 3.76Å; W244-N293 HydrophobicContact CZ3-CB 3.65Å; W244-N293 PolarHBondContact NE1-ND2 2.84Å
245F78.6Confident67.5Low60 Ų6078.8 Ų78.826%0.26342%0.42SS..EExtended strand (participates in β ladder)trans-108.3109.2168.5179.6-101.2000108.7V237 M247 C291 I292 F294V237-F245 HydrophobicContact CB-CE2 4.28Å; V237-F245 HydrophobicContact CG1-CD2 4.19Å; V237-F245 HydrophobicContact CG1-CE2 3.72Å; V237-F245 HydrophobicContact CG2-CE2 3.56Å; V237-F245 HydrophobicContact CG2-CZ 3.73Å; F245-M247 HydrophobicContact CD1-CE 4.15Å; F245-M247 HydrophobicContact CD1-CG 4.04Å; F245-M247 HydrophobicContact CD1-SD 4.39Å; F245-M247 HydrophobicContact CE1-CE 3.79Å; F245-M247 HydrophobicContact CE1-CG 3.37Å; F245-M247 HydrophobicContact CE1-SD 3.51Å; F245-M247 VanDerWaalsContact CE1-SD 3.51Å; F245-M247 HydrophobicContact CZ-CG 3.94Å; F245-M247 HydrophobicContact CZ-SD 4.24Å; F245-C291 CarbonylContact O-C 3.53Å; F245-C291 WeakPolarHBondContact O-CA 3.46Å; F245-I292 HydrophobicContact CD1-CD1 4.36Å; F245-I292 PolarHBondContact N-O 2.65Å; F245-I292 PolarHBondContact O-N 3.34Å; F245-F294 HydrophobicContact CB-CD2 4.15Å; F245-F294 HydrophobicContact CB-CE2 3.53Å; F245-F294 HydrophobicContact CG-CE2 4.21Å
246C83.5Confident70Confident21 Ų2179.1 Ų79.114%0.14242%0.415CS..EExtended strand (participates in β ladder)trans-105.4130.2-177-64.30000110.8T289 L290 C291C246-T289 HydrophobicContact CB-CG2 3.63Å; C246-L290 CarbonylContact C-O 3.52Å; C246-L290 VanDerWaalsContact CA-O 3.26Å; C246-L290 WeakPolarHBondContact CA-O 3.49Å; C246-C291 HydrophobicContact CB-CB 4.2Å; C246-C291 WeakPolarHBondContact CB-SG 3.41Å; C246-C291 WeakPolarHBondContact SG-CB 3.49Å; C246-C291 CovalentContact SG-SG 2.05Å; C246-C291 PolarHBondContact SG-SG 3.06Å
247M82.6Confident72.2Confident44 Ų4475.8 Ų75.822%0.21739%0.392CS..EExtended strand (participates in β ladder)trans-120.8136.6174.6-66.5179.6-78.300109.2P235 F245 S249 T289 L290 I292P235-M247 HydrophobicContact CB-CB 4.34Å; P235-M247 HydrophobicContact CB-CG 4.31Å; P235-M247 HydrophobicContact CB-SD 4.17Å; F245-M247 HydrophobicContact CD1-CE 4.15Å; F245-M247 HydrophobicContact CD1-CG 4.04Å; F245-M247 HydrophobicContact CD1-SD 4.39Å; F245-M247 HydrophobicContact CE1-CE 3.79Å; F245-M247 HydrophobicContact CE1-CG 3.37Å; F245-M247 HydrophobicContact CE1-SD 3.51Å; F245-M247 VanDerWaalsContact CE1-SD 3.51Å; F245-M247 HydrophobicContact CZ-CG 3.94Å; F245-M247 HydrophobicContact CZ-SD 4.24Å; M247-S249 PolarHBondContact O-N 3.01Å; M247-T289 CarbonylContact O-C 3.59Å; M247-T289 WeakPolarHBondContact O-CA 2.96Å; M247-T289 WeakPolarHBondContact O-CG2 3.49Å; M247-L290 HydrophobicContact CE-CD2 4.22Å; M247-L290 PolarHBondContact N-O 2.81Å; M247-L290 PolarHBondContact O-N 3.45Å; M247-I292 HydrophobicContact CE-CD1 3.75Å
248D81.7Confident73.9Confident81 Ų8176.3 Ų76.343%0.43340%0.396SS..EExtended strand (participates in β ladder)trans-62.2133.7170.4-78.7-11.7000110.8I238 T289I238-D248 HydrophobicContact CD1-CB 4.28Å; I238-D248 WeakPolarHBondContact CD1-OD1 3.3Å; I238-D248 WeakPolarHBondContact CD1-OD2 3.27Å; D248-T289 PolarHBondContact OD1-OG1 2.89Å
249S78.3Confident75.5Confident20 Ų2073.7 Ų73.714%0.1438%0.384CS..  trans-82.4139.3165.9-160.80000109M247 I251 A254 C255 Q256 A288M247-S249 PolarHBondContact O-N 3.01Å; S249-I251 PolarHBondContact O-N 2.93Å; S249-I251 VanDerWaalsContact O-N 3.12Å; S249-A254 PolarHBondContact OG-O 3.39Å; S249-A254 VanDerWaalsContact OG-O 3.11Å; S249-C255 WeakPolarHBondContact OG-CA 3.44Å; S249-Q256 PolarHBondContact OG-N 2.03Å; S249-A288 WeakPolarHBondContact CB-O 3.45Å; S249-A288 PolarHBondContact N-O 3.41Å
250S71.3Confident77.2Confident97 Ų9777.6 Ų77.668%0.67841%0.411SS*.SBendtrans-65.9-7.6171.252.30000113.2
251I73.9Confident78.9Confident45 Ų4573.9 Ų73.923%0.23141%0.41CS..  trans-115.7124.5-174.6-61.7166.9000108.6S249 T253 A254 Q256 A288S249-I251 PolarHBondContact O-N 2.93Å; S249-I251 VanDerWaalsContact O-N 3.12Å; I251-T253 PolarHBondContact O-N 3.16Å; I251-A254 WeakPolarHBondContact CB-O 3.26Å; I251-A254 HydrophobicContact CG2-CB 4.46Å; I251-Q256 HydrophobicContact CD1-CB 4.09Å; I251-Q256 HydrophobicContact CD1-CG 3.58Å; I251-Q256 VanDerWaalsContact CD1-OE1 3.22Å; I251-A288 VanDerWaalsContact O-CB 3.24Å; I251-A288 WeakPolarHBondContact O-CB 3.37Å
252L74.5Confident80.5Confident126 Ų12673.9 Ų73.966%0.6641%0.407SS*.THydrogen-bonded Turntrans-66.1-24.9-177.4-70.6169.6000113.5
253T78.7Confident81.7Confident101 Ų10169 Ų6962%0.6240%0.395SS*.THydrogen-bonded Turntrans-106.1-7.7-168.457.90000114.3I251 L268I251-T253 PolarHBondContact O-N 3.16Å; T253-L268 WeakPolarHBondContact O-CG 3.28Å
254A84.1Confident82.5Confident7 Ų765.6 Ų65.66%0.05837%0.374CS..EExtended strand (participates in β ladder)trans-164.4158.1-176.400000110.2S249 I251 T265 L266S249-A254 PolarHBondContact OG-O 3.39Å; S249-A254 VanDerWaalsContact OG-O 3.11Å; I251-A254 WeakPolarHBondContact CB-O 3.26Å; I251-A254 HydrophobicContact CG2-CB 4.46Å; A254-T265 HydrophobicContact CB-CG2 3.83Å; A254-L266 CarbonylContact C-O 3.44Å; A254-L266 VanDerWaalsContact CA-O 3.25Å; A254-L266 WeakPolarHBondContact CA-O 3.39Å; A254-L266 WeakPolarHBondContact CB-O 3.45Å
255C87.2Confident83Confident0 Ų067.4 Ų67.40%039%0.389CS..EExtended strand (participates in β ladder)trans-99.7109.7172-61.70000109.5S249 T265 L266 C281 T289 L290S249-C255 WeakPolarHBondContact OG-CA 3.44Å; C255-T265 CarbonylContact O-C 3.48Å; C255-T265 WeakPolarHBondContact O-CA 3.49Å; C255-L266 HydrophobicContact CB-CB 4.42Å; C255-L266 PolarHBondContact N-O 3.08Å; C255-L266 PolarHBondContact O-N 3.38Å; C255-C281 HydrophobicContact CB-CB 3.55Å; C255-C281 WeakPolarHBondContact CB-SG 3.44Å; C255-C281 PolarHBondContact N-SG 2.81Å; C255-C281 WeakPolarHBondContact SG-CA 3.27Å; C255-C281 WeakPolarHBondContact SG-CB 3.39Å; C255-C281 CovalentContact SG-SG 2.04Å; C255-C281 PolarHBondContact SG-SG 3.35Å; C255-T289 VanDerWaalsContact SG-C 3.56Å; C255-L290 HydrophobicContact CB-CB 3.9Å; C255-L290 HydrophobicContact CB-CD1 3.87Å; C255-L290 HydrophobicContact CB-CG 4.42Å; C255-L290 PolarHBondContact SG-N 3.02Å
256Q88.4Confident83.3Confident88 Ų8865 Ų6541%0.41138%0.379SS..EExtended strand (participates in β ladder)trans-95.9133.5169.8-69.9-172.6-1.900110.9S249 I251 Y264 T265S249-Q256 PolarHBondContact OG-N 2.03Å; I251-Q256 HydrophobicContact CD1-CB 4.09Å; I251-Q256 HydrophobicContact CD1-CG 3.58Å; I251-Q256 VanDerWaalsContact CD1-OE1 3.22Å; Q256-Y264 WeakPolarHBondContact CA-O 3.44Å; Q256-T265 HydrophobicContact CG-CG2 3.96Å
257F88.2Confident83.3Confident21 Ų2168.4 Ų68.49%0.09240%0.395CS..EExtended strand (participates in β ladder)trans-156.8164.8178.958.6-79.1000111.4V259 Q263 Y264 L266 I274 F279 L290F257-V259 HydrophobicContact CD2-CG2 3.65Å; F257-V259 HydrophobicContact CE2-CG2 3.68Å; F257-Q263 CarbonylContact O-C 3.59Å; F257-Y264 HydrophobicContact CD2-CD2 4.46Å; F257-Y264 HydrophobicContact CE2-CD2 4.14Å; F257-Y264 HydrophobicContact CE2-CG 4.1Å; F257-Y264 HydrophobicContact CZ-CG 4.24Å; F257-Y264 PolarHBondContact N-O 3.45Å; F257-Y264 PolarHBondContact O-N 2.92Å; F257-L266 HydrophobicContact CE1-CB 4.42Å; F257-L266 HydrophobicContact CE1-CD1 3.58Å; F257-L266 HydrophobicContact CE1-CG 3.72Å; F257-L266 HydrophobicContact CZ-CD1 3.77Å; F257-L266 HydrophobicContact CZ-CG 4.11Å; F257-I274 HydrophobicContact CE2-CD1 3.5Å; F257-I274 HydrophobicContact CZ-CD1 3.75Å; F257-F279 AromaticContact CD2-CD1 3.69Å; F257-F279 HydrophobicContact CD2-CD1 3.69Å; F257-F279 AromaticContact CD2-CE1 3.84Å; F257-F279 HydrophobicContact CD2-CE1 3.84Å; F257-F279 HydrophobicContact CE1-CB 4.45Å; F257-F279 HydrophobicContact CE1-CD1 4.48Å; F257-F279 HydrophobicContact CE2-CB 4.07Å; F257-F279 AromaticContact CE2-CD1 3.14Å; F257-F279 HydrophobicContact CE2-CD1 3.14Å; F257-F279 HydrophobicContact CE2-CD2 4.37Å; F257-F279 AromaticContact CE2-CE1 3.57Å; F257-F279 HydrophobicContact CE2-CE1 3.57Å; F257-F279 AromaticContact CE2-CG 3.6Å; F257-F279 HydrophobicContact CE2-CG 3.6Å; F257-F279 HydrophobicContact CE2-CZ 4.37Å; F257-F279 HydrophobicContact CZ-CB 3.65Å; F257-F279 AromaticContact CZ-CD1 3.62Å; F257-F279 HydrophobicContact CZ-CD1 3.62Å; F257-F279 HydrophobicContact CZ-CE1 4.47Å; F257-F279 AromaticContact CZ-CG 3.74Å; F257-F279 HydrophobicContact CZ-CG 3.74Å; F257-L290 HydrophobicContact CB-CD2 3.36Å; F257-L290 HydrophobicContact CD1-CD1 3.61Å; F257-L290 HydrophobicContact CD1-CD2 3.33Å; F257-L290 HydrophobicContact CD1-CG 4.1Å; F257-L290 HydrophobicContact CD2-CD2 3.91Å; F257-L290 HydrophobicContact CE1-CD1 3.53Å; F257-L290 HydrophobicContact CE1-CD2 4.06Å; F257-L290 HydrophobicContact CE1-CG 4.46Å; F257-L290 HydrophobicContact CG-CD1 4.3Å; F257-L290 HydrophobicContact CG-CD2 3.25Å; F257-L290 HydrophobicContact CG-CG 4.41Å; F257-L290 HydrophobicContact CZ-CD1 4.16Å
258T85.7Confident83.2Confident90 Ų9069.4 Ų69.455%0.55240%0.401SS*.EExtended strand (participates in β ladder)trans-121.4128.1-178.7-58.10000109.4K262T258-K262 CarbonylContact C-O 3.56Å; T258-K262 VanDerWaalsContact CA-O 3.27Å; T258-K262 WeakPolarHBondContact CA-O 3.47Å; T258-K262 WeakPolarHBondContact CG2-O 3.24Å
259V84.9Confident83Confident33 Ų3367.3 Ų67.320%0.240%0.399CS..EExtended strand (participates in β ladder)trans-122.1121.3173.5-172.30000107.9F257 G261 K262 Y264 I274 F279F257-V259 HydrophobicContact CD2-CG2 3.65Å; F257-V259 HydrophobicContact CE2-CG2 3.68Å; V259-G261 VanDerWaalsContact C-N 3.27Å; V259-G261 PolarHBondContact O-N 3.34Å; V259-K262 PolarHBondContact N-O 3.5Å; V259-K262 PolarHBondContact O-N 2.02Å; V259-Y264 HydrophobicContact CB-CD2 4.26Å; V259-Y264 HydrophobicContact CB-CE2 3.8Å; V259-Y264 HydrophobicContact CG2-CD2 4.15Å; V259-Y264 HydrophobicContact CG2-CE2 4.14Å; V259-I274 HydrophobicContact CB-CG2 4.21Å; V259-I274 HydrophobicContact CG1-CG2 4.01Å; V259-I274 HydrophobicContact CG2-CD1 4.21Å; V259-I274 HydrophobicContact CG2-CG2 4.44Å; V259-F279 HydrophobicContact CG1-CZ 4.45Å; V259-F279 HydrophobicContact CG2-CE1 3.68Å; V259-F279 HydrophobicContact CG2-CE2 4.32Å; V259-F279 HydrophobicContact CG2-CZ 3.56Å
260S85.2Confident83.1Confident129 Ų12969.7 Ų69.790%0.90241%0.405SS*.THydrogen-bonded Turntrans52.142.5-179.4-54.20000113.5K262S260-K262 PolarHBondContact O-N 3.44Å
261G86.7Confident83.6Confident74 Ų7465.6 Ų65.676%0.76338%0.378SS*.THydrogen-bonded Turntrans79.8-10179.900000115.6V259V259-G261 VanDerWaalsContact C-N 3.27Å; V259-G261 PolarHBondContact O-N 3.34Å
262K85.6Confident84Confident132 Ų13266 Ų6657%0.57438%0.379SS*.EExtended strand (participates in β ladder)trans-92.3128.9176-174.6167.7176.5-179.20110.8T258 V259 S260 Y264T258-K262 CarbonylContact C-O 3.56Å; T258-K262 VanDerWaalsContact CA-O 3.27Å; T258-K262 WeakPolarHBondContact CA-O 3.47Å; T258-K262 WeakPolarHBondContact CG2-O 3.24Å; V259-K262 PolarHBondContact N-O 3.5Å; V259-K262 PolarHBondContact O-N 2.02Å; S260-K262 PolarHBondContact O-N 3.44Å; K262-Y264 HydrophobicContact CB-CE2 3.84Å; K262-Y264 HydrophobicContact CD-CE1 4.46Å; K262-Y264 HydrophobicContact CD-CE2 4.38Å; K262-Y264 HydrophobicContact CG-CE2 3.9Å; K262-Y264 WeakPolarHBondContact O-CD2 3.15Å; K262-Y264 WeakPolarHBondContact O-CE2 3.12Å
263Q88.9Confident84.4Confident132 Ų13263.6 Ų63.662%0.61736%0.361SS*.EExtended strand (participates in β ladder)trans-81.9137.3176.8-164.1178.428.700110.5F257F257-Q263 CarbonylContact O-C 3.59Å
264Y87.3Confident84.6Confident42 Ų4259.8 Ų59.817%0.16534%0.337CS..EExtended strand (participates in β ladder)trans-125.2149.2177.3-63.3-93.4000109.3Q256 F257 V259 K262 I274Q256-Y264 WeakPolarHBondContact CA-O 3.44Å; F257-Y264 HydrophobicContact CD2-CD2 4.46Å; F257-Y264 HydrophobicContact CE2-CD2 4.14Å; F257-Y264 HydrophobicContact CE2-CG 4.1Å; F257-Y264 HydrophobicContact CZ-CG 4.24Å; F257-Y264 PolarHBondContact N-O 3.45Å; F257-Y264 PolarHBondContact O-N 2.92Å; V259-Y264 HydrophobicContact CB-CD2 4.26Å; V259-Y264 HydrophobicContact CB-CE2 3.8Å; V259-Y264 HydrophobicContact CG2-CD2 4.15Å; V259-Y264 HydrophobicContact CG2-CE2 4.14Å; K262-Y264 HydrophobicContact CB-CE2 3.84Å; K262-Y264 HydrophobicContact CD-CE1 4.46Å; K262-Y264 HydrophobicContact CD-CE2 4.38Å; K262-Y264 HydrophobicContact CG-CE2 3.9Å; K262-Y264 WeakPolarHBondContact O-CD2 3.15Å; K262-Y264 WeakPolarHBondContact O-CE2 3.12Å; Y264-I274 HydrophobicContact CD1-CD1 3.52Å; Y264-I274 HydrophobicContact CD1-CG1 4.25Å; Y264-I274 HydrophobicContact CD2-CD1 3.88Å; Y264-I274 HydrophobicContact CE1-CD1 3.61Å; Y264-I274 HydrophobicContact CE1-CG1 3.93Å; Y264-I274 HydrophobicContact CE1-CG2 4.5Å; Y264-I274 HydrophobicContact CE2-CD1 3.97Å; Y264-I274 HydrophobicContact CE2-CG2 4.39Å; Y264-I274 HydrophobicContact CG-CD1 3.67Å
265T88Confident84.6Confident73 Ų7361.5 Ų61.545%0.44836%0.355SS..EExtended strand (participates in β ladder)trans-131.7120.1172.4-570000108.2A254 C255 Q256A254-T265 HydrophobicContact CB-CG2 3.83Å; C255-T265 CarbonylContact O-C 3.48Å; C255-T265 WeakPolarHBondContact O-CA 3.49Å; Q256-T265 HydrophobicContact CG-CG2 3.96Å
266L85.4Confident84.4Confident9 Ų970.1 Ų70.15%0.04740%0.395CS..EExtended strand (participates in β ladder)trans-109.1128.2174.3-68.4176.2000110.1A254 C255 F257 Q272 F279 C281 L290A254-L266 CarbonylContact C-O 3.44Å; A254-L266 VanDerWaalsContact CA-O 3.25Å; A254-L266 WeakPolarHBondContact CA-O 3.39Å; A254-L266 WeakPolarHBondContact CB-O 3.45Å; C255-L266 HydrophobicContact CB-CB 4.42Å; C255-L266 PolarHBondContact N-O 3.08Å; C255-L266 PolarHBondContact O-N 3.38Å; F257-L266 HydrophobicContact CE1-CB 4.42Å; F257-L266 HydrophobicContact CE1-CD1 3.58Å; F257-L266 HydrophobicContact CE1-CG 3.72Å; F257-L266 HydrophobicContact CZ-CD1 3.77Å; F257-L266 HydrophobicContact CZ-CG 4.11Å; L266-Q272 HydrophobicContact CD1-CB 4.46Å; L266-Q272 HydrophobicContact CD2-CB 3.53Å; L266-F279 HydrophobicContact CD1-CB 3.81Å; L266-C281 HydrophobicContact CB-CB 3.75Å; L266-L290 HydrophobicContact CD1-CD1 4.13Å
267N82.1Confident84.2Confident93 Ų9368.2 Ų68.250%0.49739%0.388SS..EExtended strand (participates in β ladder)trans-66.8156.9171.4-68.5-29.6000110.7G269 Y270 C281N267-G269 PolarHBondContact O-N 3.29Å; N267-Y270 HydrophobicContact CB-CD2 3.49Å; N267-Y270 VanDerWaalsContact CB-CD2 3.49Å; N267-Y270 HydrophobicContact CB-CE2 3.84Å; N267-Y270 HydrophobicContact CB-CG 4.04Å; N267-Y270 VanDerWaalsContact O-CB 3.3Å; N267-Y270 WeakPolarHBondContact O-CB 3.22Å; N267-Y270 PolarHBondContact O-N 2.89Å; N267-C281 WeakPolarHBondContact O-CB 3.37Å
268L81.7Confident84.1Confident64 Ų6467.5 Ų67.534%0.33539%0.385SS..THydrogen-bonded Turntrans-54.4128.4176-66.6177.4000112.3T253 Y270 T283 A288T253-L268 WeakPolarHBondContact O-CG 3.28Å; L268-Y270 VanDerWaalsContact C-N 3.29Å; L268-Y270 VanDerWaalsContact O-CD2 3.3Å; L268-Y270 WeakPolarHBondContact O-CD2 3.24Å; L268-T283 HydrophobicContact CB-CG2 3.56Å; L268-T283 HydrophobicContact CD1-CG2 3.57Å; L268-T283 HydrophobicContact CD2-CG2 3.38Å; L268-T283 HydrophobicContact CG-CG2 3.63Å; L268-A288 HydrophobicContact CD2-CB 3.36Å
269G78Confident84.3Confident37 Ų3763.6 Ų63.638%0.38136%0.361SS..THydrogen-bonded Turntrans82.6-1.8-177.700000114.6N267 F280 C281N267-G269 PolarHBondContact O-N 3.29Å; G269-F280 WeakPolarHBondContact O-CE2 3.03Å; G269-C281 WeakPolarHBondContact CA-O 3.48Å; G269-C281 PolarHBondContact N-O 2.94Å
270Y79.3Confident84.4Confident71 Ų7163.9 Ų63.928%0.27836%0.359SS..  trans-94.4142.7-179.6-70.3-114.9000110.9P99 N267 L268 C281P99-Y270 WeakPolarHBondContact O-CE1 3.01Å; N267-Y270 HydrophobicContact CB-CD2 3.49Å; N267-Y270 VanDerWaalsContact CB-CD2 3.49Å; N267-Y270 HydrophobicContact CB-CE2 3.84Å; N267-Y270 HydrophobicContact CB-CG 4.04Å; N267-Y270 VanDerWaalsContact O-CB 3.3Å; N267-Y270 WeakPolarHBondContact O-CB 3.22Å; N267-Y270 PolarHBondContact O-N 2.89Å; L268-Y270 VanDerWaalsContact C-N 3.29Å; L268-Y270 VanDerWaalsContact O-CD2 3.3Å; L268-Y270 WeakPolarHBondContact O-CD2 3.24Å; Y270-C281 PolarHBondContact O-N 3.07Å
271G81.5Confident84.6Confident10 Ų1057.7 Ų57.710%0.10332%0.316CS..EExtended strand (participates in β ladder)trans-120.1146.4168.600000112.1F279G271-F279 CarbonylContact C-O 3.57Å; G271-F279 WeakPolarHBondContact CA-O 3.17Å
272Q83.2Confident84.6Confident53 Ų5357.8 Ų57.825%0.24830%0.296CS..EExtended strand (participates in β ladder)trans-136.7136.8174-173.6173.517.200109.7L266 I274 F279L266-Q272 HydrophobicContact CD1-CB 4.46Å; L266-Q272 HydrophobicContact CD2-CB 3.53Å; Q272-I274 HydrophobicContact CG-CG1 4.37Å; Q272-F279 PolarHBondContact N-O 2.99Å; Q272-F279 WeakPolarHBondContact O-CB 3Å; Q272-F279 PolarHBondContact O-N 2.81Å
273W81.9Confident84.3Confident76 Ų7654.8 Ų54.829%0.28829%0.289SS..EExtended strand (participates in β ladder)trans-82130170.7-73.391.8000109.5Y115 E276 N277 L278Y115-W273 HydrophobicContact CD2-CB 3.68Å; Y115-W273 HydrophobicContact CE2-CB 4.16Å; W273-E276 WeakPolarHBondContact CZ3-O 3.27Å; W273-N277 WeakPolarHBondContact CA-O 3.27Å; W273-L278 HydrophobicContact CD2-CB 3.95Å; W273-L278 HydrophobicContact CD2-CD1 4.15Å; W273-L278 HydrophobicContact CE3-CB 3.94Å; W273-L278 HydrophobicContact CG-CD1 4.12Å; W273-L278 HydrophobicContact CH2-CB 3.85Å; W273-L278 HydrophobicContact CZ2-CB 3.86Å; W273-L278 HydrophobicContact CZ2-CD2 4.06Å; W273-L278 HydrophobicContact CZ2-CG 4.37Å; W273-L278 HydrophobicContact CZ3-CB 3.89Å
274I83Confident83.9Confident21 Ų2152.5 Ų52.511%0.10828%0.281CS..EExtended strand (participates in β ladder)trans-129.8106173.8-58.1163.7000107F257 V259 Y264 Q272 N277 F279F257-I274 HydrophobicContact CE2-CD1 3.5Å; F257-I274 HydrophobicContact CZ-CD1 3.75Å; V259-I274 HydrophobicContact CB-CG2 4.21Å; V259-I274 HydrophobicContact CG1-CG2 4.01Å; V259-I274 HydrophobicContact CG2-CD1 4.21Å; V259-I274 HydrophobicContact CG2-CG2 4.44Å; Y264-I274 HydrophobicContact CD1-CD1 3.52Å; Y264-I274 HydrophobicContact CD1-CG1 4.25Å; Y264-I274 HydrophobicContact CD2-CD1 3.88Å; Y264-I274 HydrophobicContact CE1-CD1 3.61Å; Y264-I274 HydrophobicContact CE1-CG1 3.93Å; Y264-I274 HydrophobicContact CE1-CG2 4.5Å; Y264-I274 HydrophobicContact CE2-CD1 3.97Å; Y264-I274 HydrophobicContact CE2-CG2 4.39Å; Y264-I274 HydrophobicContact CG-CD1 3.67Å; Q272-I274 HydrophobicContact CG-CG1 4.37Å; I274-N277 PolarHBondContact N-O 3.42Å; I274-N277 PolarHBondContact O-N 2.76Å; I274-F279 HydrophobicContact CB-CD2 3.8Å; I274-F279 HydrophobicContact CB-CE2 3.63Å; I274-F279 HydrophobicContact CD1-CD2 3.75Å; I274-F279 HydrophobicContact CD1-CE2 4.08Å; I274-F279 HydrophobicContact CD1-CG 4.08Å; I274-F279 HydrophobicContact CG1-CD2 3.98Å; I274-F279 HydrophobicContact CG1-CE2 4.26Å; I274-F279 HydrophobicContact CG2-CE2 4.45Å
275G85.7Confident83.5Confident44 Ų4459.9 Ų59.945%0.45432%0.323SS..THydrogen-bonded Turntrans64.3-130.9-16600000111
276E82.6Confident83Confident180 Ų18060 Ų6084%0.84134%0.338SS*.THydrogen-bonded Turntrans-89.1-1.7-179.2-61.1-175.2163.200113.7W273W273-E276 WeakPolarHBondContact CZ3-O 3.27Å
277N83.4Confident82.8Confident48 Ų4860.3 Ų60.326%0.25734%0.343SS..EExtended strand (participates in β ladder)trans-107.7140.5-175.8-56.5-69.5000111.2W273 I274 F279 I292 N293W273-N277 WeakPolarHBondContact CA-O 3.27Å; I274-N277 PolarHBondContact N-O 3.42Å; I274-N277 PolarHBondContact O-N 2.76Å; N277-F279 HydrophobicContact CB-CD2 4.47Å; N277-F279 HydrophobicContact CB-CE2 3.81Å; N277-F279 HydrophobicContact CB-CZ 4.4Å; N277-I292 HydrophobicContact CB-CG2 4.09Å; N277-N293 PolarHBondContact OD1-O 3.12Å
278L86.6Confident82.7Confident6 Ų655.9 Ų55.93%0.03132%0.32CS..EExtended strand (participates in β ladder)trans-93.4117.9172.4176.758.5000109.6W244 W273 I292 N293W244-L278 HydrophobicContact CH2-CB 4.5Å; W244-L278 HydrophobicContact CH2-CD2 3.83Å; W244-L278 HydrophobicContact CH2-CG 4.06Å; W273-L278 HydrophobicContact CD2-CB 3.95Å; W273-L278 HydrophobicContact CD2-CD1 4.15Å; W273-L278 HydrophobicContact CE3-CB 3.94Å; W273-L278 HydrophobicContact CG-CD1 4.12Å; W273-L278 HydrophobicContact CH2-CB 3.85Å; W273-L278 HydrophobicContact CZ2-CB 3.86Å; W273-L278 HydrophobicContact CZ2-CD2 4.06Å; W273-L278 HydrophobicContact CZ2-CG 4.37Å; W273-L278 HydrophobicContact CZ3-CB 3.89Å; L278-I292 WeakPolarHBondContact O-CA 2.92Å; L278-N293 HydrophobicContact CB-CB 4.17Å; L278-N293 PolarHBondContact O-N 3.36Å
279F89Confident82.9Confident9 Ų953 Ų534%0.03931%0.305CS..EExtended strand (participates in β ladder)trans-95.2131.9171.9-65-102.2000108.2F257 V259 L266 G271 Q272 I274 N277 L290 C291 I292F257-F279 AromaticContact CD2-CD1 3.69Å; F257-F279 HydrophobicContact CD2-CD1 3.69Å; F257-F279 AromaticContact CD2-CE1 3.84Å; F257-F279 HydrophobicContact CD2-CE1 3.84Å; F257-F279 HydrophobicContact CE1-CB 4.45Å; F257-F279 HydrophobicContact CE1-CD1 4.48Å; F257-F279 HydrophobicContact CE2-CB 4.07Å; F257-F279 AromaticContact CE2-CD1 3.14Å; F257-F279 HydrophobicContact CE2-CD1 3.14Å; F257-F279 HydrophobicContact CE2-CD2 4.37Å; F257-F279 AromaticContact CE2-CE1 3.57Å; F257-F279 HydrophobicContact CE2-CE1 3.57Å; F257-F279 AromaticContact CE2-CG 3.6Å; F257-F279 HydrophobicContact CE2-CG 3.6Å; F257-F279 HydrophobicContact CE2-CZ 4.37Å; F257-F279 HydrophobicContact CZ-CB 3.65Å; F257-F279 AromaticContact CZ-CD1 3.62Å; F257-F279 HydrophobicContact CZ-CD1 3.62Å; F257-F279 HydrophobicContact CZ-CE1 4.47Å; F257-F279 AromaticContact CZ-CG 3.74Å; F257-F279 HydrophobicContact CZ-CG 3.74Å; V259-F279 HydrophobicContact CG1-CZ 4.45Å; V259-F279 HydrophobicContact CG2-CE1 3.68Å; V259-F279 HydrophobicContact CG2-CE2 4.32Å; V259-F279 HydrophobicContact CG2-CZ 3.56Å; L266-F279 HydrophobicContact CD1-CB 3.81Å; G271-F279 CarbonylContact C-O 3.57Å; G271-F279 WeakPolarHBondContact CA-O 3.17Å; Q272-F279 PolarHBondContact N-O 2.99Å; Q272-F279 WeakPolarHBondContact O-CB 3Å; Q272-F279 PolarHBondContact O-N 2.81Å; I274-F279 HydrophobicContact CB-CD2 3.8Å; I274-F279 HydrophobicContact CB-CE2 3.63Å; I274-F279 HydrophobicContact CD1-CD2 3.75Å; I274-F279 HydrophobicContact CD1-CE2 4.08Å; I274-F279 HydrophobicContact CD1-CG 4.08Å; I274-F279 HydrophobicContact CG1-CD2 3.98Å; I274-F279 HydrophobicContact CG1-CE2 4.26Å; I274-F279 HydrophobicContact CG2-CE2 4.45Å; N277-F279 HydrophobicContact CB-CD2 4.47Å; N277-F279 HydrophobicContact CB-CE2 3.81Å; N277-F279 HydrophobicContact CB-CZ 4.4Å; F279-L290 HydrophobicContact CB-CD1 4.25Å; F279-L290 HydrophobicContact CD1-CD1 4.39Å; F279-L290 HydrophobicContact CD1-CD2 4.42Å; F279-C291 CarbonylContact C-O 3.39Å; F279-C291 WeakPolarHBondContact CA-O 3.25Å; F279-I292 HydrophobicContact CD1-CD1 4Å; F279-I292 HydrophobicContact CD1-CG1 3.68Å; F279-I292 HydrophobicContact CD1-CG2 4.35Å; F279-I292 HydrophobicContact CE1-CB 4.48Å; F279-I292 HydrophobicContact CE1-CD1 3.52Å; F279-I292 HydrophobicContact CE1-CG1 3.69Å; F279-I292 HydrophobicContact CE1-CG2 4.03Å; F279-I292 HydrophobicContact CE2-CG2 4.47Å; F279-I292 HydrophobicContact CZ-CD1 4.37Å; F279-I292 HydrophobicContact CZ-CG2 4.08Å
280F86.6Confident83.4Confident38 Ų3851.5 Ų51.517%0.16729%0.288CS..EExtended strand (participates in β ladder)trans-137.1127-177.7-179.7-101.5000109.7W244 G269 H282 C291W244-F280 HydrophobicContact CH2-CB 4.26Å; W244-F280 HydrophobicContact CZ3-CB 3.99Å; G269-F280 WeakPolarHBondContact O-CE2 3.03Å; F280-H282 HydrophobicContact CD1-CB 3.95Å; F280-H282 HydrophobicContact CE1-CB 3.74Å; F280-H282 AromaticContact CE1-ND1 3.72Å; F280-H282 PolarHBondContact O-N 3.17Å; F280-C291 PolarHBondContact N-O 2.95Å; F280-C291 PolarHBondContact O-N 2.82Å
281C90.2Very high83.7Confident0 Ų048.7 Ų48.70%028%0.279CS..EExtended strand (participates in β ladder)trans-90.9104.1174.9-168.50000109.6C255 L266 N267 G269 Y270C255-C281 HydrophobicContact CB-CB 3.55Å; C255-C281 WeakPolarHBondContact CB-SG 3.44Å; C255-C281 PolarHBondContact N-SG 2.81Å; C255-C281 WeakPolarHBondContact SG-CA 3.27Å; C255-C281 WeakPolarHBondContact SG-CB 3.39Å; C255-C281 CovalentContact SG-SG 2.04Å; C255-C281 PolarHBondContact SG-SG 3.35Å; L266-C281 HydrophobicContact CB-CB 3.75Å; N267-C281 WeakPolarHBondContact O-CB 3.37Å; G269-C281 WeakPolarHBondContact CA-O 3.48Å; G269-C281 PolarHBondContact N-O 2.94Å; Y270-C281 PolarHBondContact O-N 3.07Å
282H86Confident83.9Confident75 Ų7549 Ų4935%0.34728%0.278SS..EExtended strand (participates in β ladder)trans-90.5154.9176.8-16855.3000111.1F280 N284 A288 T289F280-H282 HydrophobicContact CD1-CB 3.95Å; F280-H282 HydrophobicContact CE1-CB 3.74Å; F280-H282 AromaticContact CE1-ND1 3.72Å; F280-H282 PolarHBondContact O-N 3.17Å; H282-N284 PolarHBondContact CD2-OD1 3.05Å; H282-N284 VanDerWaalsContact CD2-OD1 3.3Å; H282-N284 PolarHBondContact NE2-OD1 2.93Å; H282-A288 CarbonylContact O-C 3.4Å; H282-A288 WeakPolarHBondContact O-CA 3.5Å; H282-T289 PolarHBondContact N-O 3.22Å; H282-T289 PolarHBondContact O-N 3.21Å
283T81Confident83.9Confident69 Ų6948.2 Ų48.242%0.42328%0.276SS..EExtended strand (participates in β ladder)trans-106.4118.717150.80000108.9L268L268-T283 HydrophobicContact CB-CG2 3.56Å; L268-T283 HydrophobicContact CD1-CG2 3.57Å; L268-T283 HydrophobicContact CD2-CG2 3.38Å; L268-T283 HydrophobicContact CG-CG2 3.63Å
284N79Confident83.6Confident84 Ų8452.3 Ų52.345%0.44930%0.296SS..EExtended strand (participates in β ladder)trans-102.9165.5163.7-78.4-32.2000109.5H282 G286 G287 T289H282-N284 PolarHBondContact CD2-OD1 3.05Å; H282-N284 VanDerWaalsContact CD2-OD1 3.3Å; H282-N284 PolarHBondContact NE2-OD1 2.93Å; N284-G286 PolarHBondContact O-N 2.96Å; N284-G287 PolarHBondContact N-O 2.75Å; N284-G287 PolarHBondContact O-N 2.74Å; N284-G287 VanDerWaalsContact O-O 3.12Å; N284-T289 PolarHBondContact ND2-OG1 2.79Å
285L79.1Confident83.6Confident198 Ų19853.9 Ų53.9100%1.03731%0.305SS*.THydrogen-bonded Turntrans-53.6-21175.9-79.6156.4000113.4
286G76.9Confident83.5Confident75 Ų7554.4 Ų54.477%0.77330%0.297SS*.THydrogen-bonded Turntrans-99.1-1.6179.400000116.2N284N284-G286 PolarHBondContact O-N 2.96Å
287G81.3Confident83.5Confident15 Ų1547.4 Ų47.416%0.15527%0.267CS..EExtended strand (participates in β ladder)trans141.5-168.4-178.900000114.5N284N284-G287 PolarHBondContact N-O 2.75Å; N284-G287 PolarHBondContact O-N 2.74Å; N284-G287 VanDerWaalsContact O-O 3.12Å
288A81.7Confident83.6Confident1 Ų147.4 Ų47.41%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-81.8132.1174.800000109.9S249 I251 L268 H282S249-A288 WeakPolarHBondContact CB-O 3.45Å; S249-A288 PolarHBondContact N-O 3.41Å; I251-A288 VanDerWaalsContact O-CB 3.24Å; I251-A288 WeakPolarHBondContact O-CB 3.37Å; L268-A288 HydrophobicContact CD2-CB 3.36Å; H282-A288 CarbonylContact O-C 3.4Å; H282-A288 WeakPolarHBondContact O-CA 3.5Å
289T85.3Confident83.4Confident4 Ų450 Ų503%0.02528%0.282CS..EExtended strand (participates in β ladder)trans-120.6120.4176.2-53.20000108.5C246 M247 D248 C255 H282 N284 C291C246-T289 HydrophobicContact CB-CG2 3.63Å; M247-T289 CarbonylContact O-C 3.59Å; M247-T289 WeakPolarHBondContact O-CA 2.96Å; M247-T289 WeakPolarHBondContact O-CG2 3.49Å; D248-T289 PolarHBondContact OD1-OG1 2.89Å; C255-T289 VanDerWaalsContact SG-C 3.56Å; H282-T289 PolarHBondContact N-O 3.22Å; H282-T289 PolarHBondContact O-N 3.21Å; N284-T289 PolarHBondContact ND2-OG1 2.79Å; T289-C291 PolarHBondContact O-N 3.36Å
290L88.5Confident83Confident5 Ų552.7 Ų52.73%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-80.2116.7173179.768.4000109.7C246 M247 C255 F257 L266 F279C246-L290 CarbonylContact C-O 3.52Å; C246-L290 VanDerWaalsContact CA-O 3.26Å; C246-L290 WeakPolarHBondContact CA-O 3.49Å; M247-L290 HydrophobicContact CE-CD2 4.22Å; M247-L290 PolarHBondContact N-O 2.81Å; M247-L290 PolarHBondContact O-N 3.45Å; C255-L290 HydrophobicContact CB-CB 3.9Å; C255-L290 HydrophobicContact CB-CD1 3.87Å; C255-L290 HydrophobicContact CB-CG 4.42Å; C255-L290 PolarHBondContact SG-N 3.02Å; F257-L290 HydrophobicContact CB-CD2 3.36Å; F257-L290 HydrophobicContact CD1-CD1 3.61Å; F257-L290 HydrophobicContact CD1-CD2 3.33Å; F257-L290 HydrophobicContact CD1-CG 4.1Å; F257-L290 HydrophobicContact CD2-CD2 3.91Å; F257-L290 HydrophobicContact CE1-CD1 3.53Å; F257-L290 HydrophobicContact CE1-CD2 4.06Å; F257-L290 HydrophobicContact CE1-CG 4.46Å; F257-L290 HydrophobicContact CG-CD1 4.3Å; F257-L290 HydrophobicContact CG-CD2 3.25Å; F257-L290 HydrophobicContact CG-CG 4.41Å; F257-L290 HydrophobicContact CZ-CD1 4.16Å; L266-L290 HydrophobicContact CD1-CD1 4.13Å; F279-L290 HydrophobicContact CB-CD1 4.25Å; F279-L290 HydrophobicContact CD1-CD1 4.39Å; F279-L290 HydrophobicContact CD1-CD2 4.42Å
291C85.6Confident82.7Confident11 Ų1153.8 Ų53.87%0.07431%0.308CS..EExtended strand (participates in β ladder)trans-105.9134.1174.8-63.90000110.7W244 F245 C246 F279 F280 T289W244-C291 HydrophobicContact CE3-CB 3.63Å; W244-C291 HydrophobicContact CZ3-CB 4.09Å; F245-C291 CarbonylContact O-C 3.53Å; F245-C291 WeakPolarHBondContact O-CA 3.46Å; C246-C291 HydrophobicContact CB-CB 4.2Å; C246-C291 WeakPolarHBondContact CB-SG 3.41Å; C246-C291 WeakPolarHBondContact SG-CB 3.49Å; C246-C291 CovalentContact SG-SG 2.05Å; C246-C291 PolarHBondContact SG-SG 3.06Å; F279-C291 CarbonylContact C-O 3.39Å; F279-C291 WeakPolarHBondContact CA-O 3.25Å; F280-C291 PolarHBondContact N-O 2.95Å; F280-C291 PolarHBondContact O-N 2.82Å; T289-C291 PolarHBondContact O-N 3.36Å
292I86.2Confident82.2Confident17 Ų1757.9 Ų57.99%0.08733%0.332CS..EExtended strand (participates in β ladder)trans-115125178.2-49.8176.8000107.7W244 F245 M247 N277 L278 F279 F294W244-I292 CarbonylContact C-O 3.53Å; W244-I292 WeakPolarHBondContact CA-O 3.5Å; W244-I292 VanDerWaalsContact CE3-C 3.46Å; F245-I292 HydrophobicContact CD1-CD1 4.36Å; F245-I292 PolarHBondContact N-O 2.65Å; F245-I292 PolarHBondContact O-N 3.34Å; M247-I292 HydrophobicContact CE-CD1 3.75Å; N277-I292 HydrophobicContact CB-CG2 4.09Å; L278-I292 WeakPolarHBondContact O-CA 2.92Å; F279-I292 HydrophobicContact CD1-CD1 4Å; F279-I292 HydrophobicContact CD1-CG1 3.68Å; F279-I292 HydrophobicContact CD1-CG2 4.35Å; F279-I292 HydrophobicContact CE1-CB 4.48Å; F279-I292 HydrophobicContact CE1-CD1 3.52Å; F279-I292 HydrophobicContact CE1-CG1 3.69Å; F279-I292 HydrophobicContact CE1-CG2 4.03Å; F279-I292 HydrophobicContact CE2-CG2 4.47Å; F279-I292 HydrophobicContact CZ-CD1 4.37Å; F279-I292 HydrophobicContact CZ-CG2 4.08Å; I292-F294 HydrophobicContact CG2-CE1 4.39Å; I292-F294 HydrophobicContact CG2-CE2 4.49Å; I292-F294 HydrophobicContact CG2-CZ 4.26Å
293N81.7Confident81.8Confident37 Ų3756.5 Ų56.520%0.19833%0.33CS..EExtended strand (participates in β ladder)trans-89.9125.2171.3-167.1-109.6000109.8N243 W244 N277 L278N243-N293 WeakPolarHBondContact O-CA 2.95Å; N243-N293 PolarHBondContact O-ND2 3.38Å; W244-N293 HydrophobicContact CD2-CB 3.91Å; W244-N293 VanDerWaalsContact CE2-ND2 3.26Å; W244-N293 HydrophobicContact CE3-CB 3.76Å; W244-N293 HydrophobicContact CH2-CB 3.67Å; W244-N293 HydrophobicContact CZ2-CB 3.76Å; W244-N293 HydrophobicContact CZ3-CB 3.65Å; W244-N293 PolarHBondContact NE1-ND2 2.84Å; N277-N293 PolarHBondContact OD1-O 3.12Å; L278-N293 HydrophobicContact CB-CB 4.17Å; L278-N293 PolarHBondContact O-N 3.36Å
294F75.9Confident81.9Confident162 Ų16255.4 Ų55.471%0.71132%0.322SS*.  trans-101.60171.6-64.9-74.2000111.2N243 F245 I292N243-F294 PolarHBondContact O-N 3.25Å; N243-F294 VanDerWaalsContact O-N 3.1Å; F245-F294 HydrophobicContact CB-CD2 4.15Å; F245-F294 HydrophobicContact CB-CE2 3.53Å; F245-F294 HydrophobicContact CG-CE2 4.21Å; I292-F294 HydrophobicContact CG2-CE1 4.39Å; I292-F294 HydrophobicContact CG2-CE2 4.49Å; I292-F294 HydrophobicContact CG2-CZ 4.26Å

Retrieved 294 of 294 residues in 92.5 ms (Link to these results)