A0A096NXC5_PAPAN Loading...

Cerebellin 3

AlphaFold DB , UniProt , Accession A0A096NXC5, Species PAPAN (Papio anubis, Olive baboon), Gene CBLN3, Length 205 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.9Very low36.6Very low248 Ų248150.7 Ų150.7100%1.22284%0.844SS**  0125.80-75.6-173.5167.600108
2L31.7Very low37Very low184 Ų184148.8 Ų148.896%0.96384%0.842SS**  trans-60.8161.3179-61.2102.5000111.2
3G31.8Very low37Very low70 Ų70149.6 Ų149.672%0.72284%0.842SS**  cis-169.6148.18.900000107.7
4A34.9Very low36.6Very low108 Ų108152.7 Ų152.789%0.89385%0.845SS**  83.6113.88400000115.6
5K34.8Very low36.5Very low202 Ų202149.9 Ų149.988%0.87884%0.84SS**  trans-66.3-171.5157.6-87.3179.3174-178.70110.7
6P54.8Low37Very low93 Ų93147.9 Ų147.960%0.60484%0.836SS**  cis-128.9-169.6-3931.8-11.9000110.1
7H32.3Very low36.8Very low195 Ų195153.8 Ų153.890%0.90384%0.842SS**  trans-166.5153143.2-96.6-65.1000112.7
8W29.2Very low36.6Very low223 Ų223153.7 Ų153.785%0.84584%0.839SS**  trans-100.4161.9-165.2-83.481000114.5
9L35.7Very low36.8Very low144 Ų144152.2 Ų152.275%0.75484%0.838SS**  trans-25.8167.6162.2-73.3162.5000118.5
10P42.4Very low37.2Very low124 Ų124152.1 Ų152.181%0.80584%0.835SS**  cis-148.2-178.638.837.2-12.3000117.9
11G35.3Very low37.4Very low67 Ų67149.2 Ų149.269%0.69183%0.832SS**  trans-79.7-169-179.600000116.1
12P41.7Very low37.5Very low128 Ų128144.3 Ų144.383%0.83181%0.81SS**  -140.6148.3128.332.9-16.8000115.3
13L36.3Very low38Very low159 Ų159141.1 Ų141.183%0.83280%0.798SS**  trans-58150.1155.5-91.475.9000110.4
14H31.3Very low38.6Very low193 Ų193145.1 Ų145.189%0.89480%0.802SS**  trans-162.3141133.2-94.591.4000110.3
15S35.9Very low38.9Very low110 Ų110147.4 Ų147.477%0.76980%0.798SS**  trans-81177.6-169.555.30000114.5
16P43.6Very low39.2Very low119 Ų119142.2 Ų142.277%0.77379%0.793SS**  trans-97.1161.2-150.738.3-34.1000114.8
17R34.3Very low38.4Very low247 Ų247146.3 Ų146.393%0.93281%0.809SS**  trans-136.8123.5156.9-74.6-171.7171.8173.8-2109.6
18L33.8Very low38.7Very low152 Ų152140.2 Ų140.280%0.79680%0.799SS**  trans-57.1159.4173.5-81.3111.5000112.4
19P39.5Very low39.2Very low126 Ų126133.7 Ų133.782%0.81879%0.792SS**  -125.8149.5107.330.3-19.1000113.7
20L44.8Very low39.1Very low150 Ų150130.3 Ų130.379%0.78579%0.792SS**  trans-66.4119.4-179-162.979.9000110.5
21A40.8Very low38.7Very low92 Ų92135.4 Ų135.476%0.7680%0.796SS**  trans-132.6104.1160.700000108.5V23A21-V23 PolarHBondContact O-N 2.93Å
22L41.8Very low38.9Very low144 Ų144136.2 Ų136.275%0.75480%0.796SS**  trans-75.1110.6176.7-146.389000108L24L22-L24 HydrophobicContact CD2-CD1 4.19Å
23V42.8Very low39Very low118 Ų118139 Ų13972%0.71580%0.798SS**  trans-118.9100.1165.7179.10000107.4A21 L25A21-V23 PolarHBondContact O-N 2.93Å; V23-L25 HydrophobicContact CG1-CD1 3.9Å; V23-L25 HydrophobicContact CG1-CG 4.39Å; V23-L25 PolarHBondContact O-N 2.72Å
24L44.3Very low39.7Very low154 Ų154140.2 Ų140.281%0.80680%0.799SS**  trans-78.7105.6168.9-82158.3000108.2L22L22-L24 HydrophobicContact CD2-CD1 4.19Å
25L41.7Very low40.4Very low155 Ų155133.6 Ų133.681%0.81278%0.783SS**  trans-126.6109.8164.7-92157000109.3V23V23-L25 HydrophobicContact CG1-CD1 3.9Å; V23-L25 HydrophobicContact CG1-CG 4.39Å; V23-L25 PolarHBondContact O-N 2.72Å
26A41Very low41.1Very low93 Ų93133.7 Ų133.777%0.76978%0.784SS**  trans-5.6121.8171.200000117.9G28A26-G28 VanDerWaalsContact C-N 3.34Å; A26-G28 PolarHBondContact O-N 3.04Å
27L38.8Very low41.2Very low180 Ų180136.2 Ų136.294%0.94279%0.785SS**  trans-57.797.1151.2-79.9143.4000108.4A29L27-A29 PolarHBondContact O-N 3.29Å; L27-A29 VanDerWaalsContact O-N 3.17Å
28G37.4Very low41.6Very low67 Ų67130.2 Ų130.269%0.69178%0.778SS**  trans-62.7111.7156.300000107A26 G30A26-G28 VanDerWaalsContact C-N 3.34Å; A26-G28 PolarHBondContact O-N 3.04Å; G28-G30 PolarHBondContact O-N 3Å
29A39.8Very low42.4Very low85 Ų85128.8 Ų128.870%0.70278%0.776SS**  trans-60.192.4163.900000107L27 W31L27-A29 PolarHBondContact O-N 3.29Å; L27-A29 VanDerWaalsContact O-N 3.17Å; A29-W31 PolarHBondContact O-N 2.94Å
30G33.7Very low42.7Very low74 Ų74129.1 Ų129.176%0.76377%0.77SS**  trans-62.795.9165.700000106.4G28 A32G28-G30 PolarHBondContact O-N 3Å; G30-A32 PolarHBondContact O-N 3.16Å
31W34.2Very low42.7Very low231 Ų231129.2 Ų129.288%0.87577%0.77SS**  trans-55.2115.4164.3-78.124.9000106A29 Q33A29-W31 PolarHBondContact O-N 2.94Å; W31-Q33 PolarHBondContact O-N 3.4Å
32A38.4Very low43.2Very low83 Ų83132.6 Ų132.669%0.68677%0.77SS**  trans-53.8111.6159.300000105.7G30 E34G30-A32 PolarHBondContact O-N 3.16Å; A32-E34 PolarHBondContact O-N 3.14Å
33Q45.8Very low43.7Very low188 Ų188128.6 Ų128.688%0.87976%0.764SS**  trans-6989.5163-87.4-148.6-21.800106.7W31 G35W31-Q33 PolarHBondContact O-N 3.4Å; Q33-G35 PolarHBondContact O-N 3.11Å
34E49.3Very low44.1Very low183 Ų183132.5 Ų132.586%0.85577%0.774SS**  trans-6971.2157.1-154.779.5-16400106.7A32A32-E34 PolarHBondContact O-N 3.14Å
35G46.7Very low44.3Very low55 Ų55130.4 Ų130.457%0.56777%0.772SS**  trans-131.649.1-173.700000110.1Q33 E37Q33-G35 PolarHBondContact O-N 3.11Å; G35-E37 VanDerWaalsContact C-N 3.34Å; G35-E37 PolarHBondContact O-N 2.92Å
36S51.4Low44.8Very low111 Ų111126.9 Ų126.978%0.77675%0.753SS**  trans-86.789.7156.454.90000106.7
37E45.9Very low45.4Very low173 Ų173127.8 Ų127.881%0.80875%0.749SS**  trans-51.4133157.4-69.2-174.411900106.8G35 V39G35-E37 VanDerWaalsContact C-N 3.34Å; G35-E37 PolarHBondContact O-N 2.92Å; E37-V39 PolarHBondContact O-N 3.43Å
38P42.5Very low46.4Very low121 Ų121123 Ų12379%0.78673%0.726SS**  trans-57.8119175.524.2-31.4000106.6L40P38-L40 VanDerWaalsContact C-N 3.26Å; P38-L40 PolarHBondContact O-N 2.9Å
39V49.5Very low46.9Very low122 Ų122124.7 Ų124.774%0.73973%0.727SS**  trans-60.4102.6166.2176.40000104.8E37 L41E37-V39 PolarHBondContact O-N 3.43Å; V39-L41 HydrophobicContact CG1-CD2 3.96Å; V39-L41 HydrophobicContact CG1-CG 4.3Å; V39-L41 PolarHBondContact O-N 3.29Å
40L45.3Very low47.6Very low133 Ų133127.2 Ų127.270%0.69672%0.724SS**  trans-63.994.1166.4-172.270.9000104.6P38 E42P38-L40 VanDerWaalsContact C-N 3.26Å; P38-L40 PolarHBondContact O-N 2.9Å; L40-E42 HydrophobicContact CD2-CG 3.74Å; L40-E42 HydrophobicContact CG-CG 3.94Å; L40-E42 PolarHBondContact O-N 2.86Å
41L46.1Very low48.2Very low152 Ų152130 Ų13080%0.79673%0.729SS**  trans-66.188.4161.5-65.8174.2000104.3V39 G43V39-L41 HydrophobicContact CG1-CD2 3.96Å; V39-L41 HydrophobicContact CG1-CG 4.3Å; V39-L41 PolarHBondContact O-N 3.29Å; L41-G43 PolarHBondContact O-N 3.12Å
42E50.5Low48.8Very low162 Ų162122.5 Ų122.576%0.75772%0.723SS**  trans-60.784.9159.5-66.7-158.8158.800105.4L40 E44L40-E42 HydrophobicContact CD2-CG 3.74Å; L40-E42 HydrophobicContact CG-CG 3.94Å; L40-E42 PolarHBondContact O-N 2.86Å; E42-E44 PolarHBondContact O-N 2.74Å
43G52.7Low49.3Very low60 Ų60129.8 Ų129.862%0.61973%0.733SS**  trans-53.3126.9159.500000105.3L41 C45L41-G43 PolarHBondContact O-N 3.12Å; G43-C45 PolarHBondContact O-N 3.21Å
44E51.2Low49.2Very low200 Ų200125.4 Ų125.494%0.93573%0.729SS**  trans-59.891.6173.7-66.6-154.414800107.9E42 L46E42-E44 PolarHBondContact O-N 2.74Å; E44-L46 PolarHBondContact O-N 2.7Å; E44-L46 VanDerWaalsContact O-N 3.12Å
45C49.4Very low49.1Very low111 Ų111122 Ų12275%0.7573%0.732SS**  trans-73.5105.1171.6-149.40000103.8G43 V47G43-C45 PolarHBondContact O-N 3.21Å; C45-V47 PolarHBondContact O-N 2.76Å
46L50.3Low49Very low80 Ų80124.1 Ų124.142%0.41974%0.744SS.*  trans-63.895.3168.8-109.5156.1000106.6E44 V48 F200 I202E44-L46 PolarHBondContact O-N 2.7Å; E44-L46 VanDerWaalsContact O-N 3.12Å; L46-V48 PolarHBondContact O-N 2.58Å; L46-F200 HydrophobicContact CB-CE2 4.3Å; L46-F200 HydrophobicContact CB-CZ 4.14Å; L46-F200 HydrophobicContact CD1-CE2 4.13Å; L46-F200 HydrophobicContact CD1-CZ 3.71Å; L46-I202 HydrophobicContact CD1-CD1 4.14Å; L46-I202 HydrophobicContact CD2-CD1 4.17Å; L46-I202 HydrophobicContact CD2-CG1 4.42Å; L46-I202 HydrophobicContact CD2-CG2 3.91Å
47V53.6Low48.8Very low112 Ų112122.9 Ų122.968%0.67975%0.749SS**  trans-70.8100.3174.9-177.60000106.9C45 C49C45-V47 PolarHBondContact O-N 2.76Å; V47-C49 PolarHBondContact O-N 2.89Å
48V61Low48.3Very low79 Ų79118 Ų11848%0.47975%0.745SS.*  trans-7899.1166.6-178.60000106.7L46 E50L46-V48 PolarHBondContact O-N 2.58Å; V48-E50 PolarHBondContact O-N 2.94Å
49C47.4Very low49.1Very low103 Ų103119 Ų11970%0.69675%0.752SS**  trans-73109.9171.4-67.10000108.9V47 P51V47-C49 PolarHBondContact O-N 2.89Å; C49-P51 WeakPolarHBondContact O-CD 3.35Å
50E54.3Low48.8Very low139 Ų139117 Ų11765%0.6576%0.756SS**  trans-69122.1165.5-72.4-166.8144.800108.9V48 G52 R71V48-E50 PolarHBondContact O-N 2.94Å; E50-G52 PolarHBondContact O-N 2.64Å; E50-R71 IonicContact OE1-NH1 3.93Å
51P46.4Very low48.5Very low132 Ų132114.3 Ų114.386%0.85776%0.76SS**  trans-70.697.3169.626.7-29.5000109.4C49C49-P51 WeakPolarHBondContact O-CD 3.35Å
52G47.4Very low48.7Very low74 Ų74112.6 Ų112.676%0.76377%0.767SS**  trans40.198.7154.500000118.6E50E50-G52 PolarHBondContact O-N 2.64Å
53R47.9Very low48.3Very low236 Ų236108.9 Ų108.989%0.89176%0.764SS**  trans-99.7108.1154.1-147173.7-172176.31.5108.9A55R53-A55 PolarHBondContact O-N 3.06Å
54A43.9Very low48.3Very low96 Ų96115 Ų11579%0.79378%0.782SS**  trans-52.9123.4167.200000108.8A56A54-A56 PolarHBondContact O-N 3.49Å
55A47.2Very low47.6Very low110 Ų110108.3 Ų108.391%0.90977%0.767SS**  trans-64.8104.6178.900000109.9R53R53-A55 PolarHBondContact O-N 3.06Å
56A45.9Very low47.5Very low100 Ų100112.1 Ų112.183%0.82677%0.773SS**  trans-105.7111.4160.800000107.1A54A54-A56 PolarHBondContact O-N 3.49Å
57G46.7Very low47.4Very low85 Ų85109.4 Ų109.488%0.87676%0.763SS**  trans-74.1159.4-172.300000114.9
58G35.8Very low47.5Very low71 Ų71106 Ų10673%0.73274%0.743SS**  trans172.9125.1166.700000110.6
59P58.2Low47.6Very low143 Ų143108.9 Ų108.993%0.92976%0.763SS**  trans-88.1124.2179.832.7-27.7000110.3
60G42.8Very low48.8Very low80 Ų80105.8 Ų105.883%0.82575%0.749SS**  trans166.1118169.100000114.8
61G39.3Very low50.4Low76 Ų76105.1 Ų105.178%0.78474%0.74SS**  trans89.794.4153.400000115.8A63G61-A63 VanDerWaalsContact C-N 3.25Å; G61-A63 PolarHBondContact O-N 2.91Å
62A50.8Low52.8Low115 Ų11599.4 Ų99.495%0.9570%0.703SS**  trans-66.389.1155.300000108.6
63A42.8Very low55.1Low84 Ų8497.2 Ų97.269%0.69468%0.678SS**  trans-82.6139157.300000107.5G61 G65G61-A63 VanDerWaalsContact C-N 3.25Å; G61-A63 PolarHBondContact O-N 2.91Å; A63-G65 PolarHBondContact O-N 3.04Å
64L51.7Low57.5Low190 Ų19086.2 Ų86.2100%0.99564%0.636SS**  trans-59.883.6162.8-71.4160.3000106.9
65G37.8Very low60.1Low59 Ų5982.7 Ų82.761%0.60861%0.607SS**  trans-86.1126.7-163.600000110.2A63 A67A63-G65 PolarHBondContact O-N 3.04Å; G65-A67 PolarHBondContact O-N 3.24Å
66E47.4Very low62.5Low190 Ų19077.5 Ų77.589%0.88856%0.564SS**  trans-39.1126.7158.3-162.4156.3158.800109.7
67A47.7Very low64.9Low24 Ų2474.3 Ų74.320%0.19853%0.534CS..PPolyproline II helixtrans-52.9130.3-179.100000108.5G65 R71G65-A67 PolarHBondContact O-N 3.24Å; A67-R71 HydrophobicContact CB-CB 4.35Å
68P55.1Low67Low40 Ų4070.6 Ų70.626%0.2649%0.494SS..PPolyproline II helixtrans-56.6149.7179.821.5-30000110.2G70 R71P68-G70 PolarHBondContact O-N 2.94Å; P68-G70 VanDerWaalsContact O-N 3.14Å; P68-R71 HydrophobicContact CG-CG 4.27Å; P68-R71 VanDerWaalsContact CG-NE 3.34Å; P68-R71 PolarHBondContact O-N 2.95Å; P68-R71 VanDerWaalsContact O-N 3.11Å
69P62.8Low69.5Low139 Ų13968.8 Ų68.890%0.90347%0.47SS*.THydrogen-bonded Turntrans-55123.1-171.821.1-32.4000109.8
70G73.3Confident70.7Confident38 Ų3866.6 Ų66.639%0.39245%0.447SS..THydrogen-bonded Turntrans101.12.2-179.900000116.1P68 L201P68-G70 PolarHBondContact O-N 2.94Å; P68-G70 VanDerWaalsContact O-N 3.14Å; G70-L201 WeakPolarHBondContact O-CD2 3.42Å
71R88Confident72.1Confident125 Ų12566 Ų6647%0.47242%0.423SS..  trans-98.7111.1168.4-64.1-154.1-65.3-12111.6111.1E50 A67 P68E50-R71 IonicContact OE1-NH1 3.93Å; A67-R71 HydrophobicContact CB-CB 4.35Å; P68-R71 HydrophobicContact CG-CG 4.27Å; P68-R71 VanDerWaalsContact CG-NE 3.34Å; P68-R71 PolarHBondContact O-N 2.95Å; P68-R71 VanDerWaalsContact O-N 3.11Å
72V95.6Very high73.4Confident12 Ų1268.9 Ų68.97%0.07342%0.416CS..  trans-132.7121.8178.3-173.90000108.7E105 F116 P119 V120 Y124 F200 L201V72-E105 WeakPolarHBondContact CA-O 3.34Å; V72-F116 HydrophobicContact CG1-CE2 3.79Å; V72-F116 HydrophobicContact CG1-CZ 3.75Å; V72-P119 HydrophobicContact CB-CG 4.42Å; V72-P119 HydrophobicContact CG1-CG 3.85Å; V72-P119 HydrophobicContact CG2-CG 3.64Å; V72-V120 HydrophobicContact CG2-CG2 4.22Å; V72-Y124 HydrophobicContact CB-CE1 4.29Å; V72-Y124 HydrophobicContact CG1-CE1 4.03Å; V72-F200 CarbonylContact O-C 3.43Å; V72-F200 VanDerWaalsContact O-CA 3.26Å; V72-F200 WeakPolarHBondContact O-CA 3.43Å; V72-F200 WeakPolarHBondContact O-CB 3.38Å; V72-L201 HydrophobicContact CB-CB 3.82Å; V72-L201 HydrophobicContact CB-CD2 4.48Å; V72-L201 HydrophobicContact CG2-CB 4.33Å; V72-L201 HydrophobicContact CG2-CD2 4.08Å; V72-L201 PolarHBondContact O-N 2.84Å
73A97.1Very high73.9Confident28 Ų2867.7 Ų67.723%0.23139%0.39CS..EExtended strand (participates in β ladder)trans-155.9144176.600000110.2V103 N104 E105 G199 F200A73-V103 HydrophobicContact CB-CG1 4.24Å; A73-N104 CarbonylContact O-C 3.57Å; A73-N104 WeakPolarHBondContact O-CA 3.45Å; A73-E105 HydrophobicContact CB-CB 4.32Å; A73-E105 PolarHBondContact N-O 2.81Å; A73-E105 VanDerWaalsContact N-O 3.08Å; A73-E105 PolarHBondContact O-N 2.76Å; A73-G199 CarbonylContact C-O 3.54Å; A73-G199 WeakPolarHBondContact CA-O 3.41Å; A73-F200 HydrophobicContact CB-CB 3.83Å
74F98Very high74.6Confident5 Ų564.4 Ų64.42%0.02236%0.362CS..EExtended strand (participates in β ladder)trans-139.4152.6169.976.9-79.3000111.1V103 F109 F116 F126 F197 S198 G199F74-V103 CarbonylContact C-O 3.57Å; F74-V103 WeakPolarHBondContact CA-O 3.35Å; F74-F109 HydrophobicContact CB-CB 3.64Å; F74-F109 HydrophobicContact CB-CG 4.21Å; F74-F109 HydrophobicContact CD2-CB 3.98Å; F74-F109 HydrophobicContact CD2-CD1 4.47Å; F74-F109 AromaticContact CD2-CD2 3.28Å; F74-F109 HydrophobicContact CD2-CD2 3.28Å; F74-F109 AromaticContact CD2-CE2 3.82Å; F74-F109 HydrophobicContact CD2-CE2 3.82Å; F74-F109 AromaticContact CD2-CG 3.66Å; F74-F109 HydrophobicContact CD2-CG 3.66Å; F74-F109 AromaticContact CE2-CD2 3.5Å; F74-F109 HydrophobicContact CE2-CD2 3.5Å; F74-F109 AromaticContact CE2-CE2 3.71Å; F74-F109 HydrophobicContact CE2-CE2 3.71Å; F74-F109 HydrophobicContact CE2-CG 4.34Å; F74-F109 HydrophobicContact CG-CB 3.82Å; F74-F109 AromaticContact CG-CD2 3.92Å; F74-F109 HydrophobicContact CG-CD2 3.92Å; F74-F109 HydrophobicContact CG-CG 4.05Å; F74-F109 HydrophobicContact CZ-CD2 4.29Å; F74-F116 HydrophobicContact CD1-CB 4.34Å; F74-F116 AromaticContact CD1-CD2 3.37Å; F74-F116 HydrophobicContact CD1-CD2 3.37Å; F74-F116 AromaticContact CD1-CE2 3.85Å; F74-F116 HydrophobicContact CD1-CE2 3.85Å; F74-F116 AromaticContact CD1-CG 3.99Å; F74-F116 HydrophobicContact CD1-CG 3.99Å; F74-F116 HydrophobicContact CE1-CB 3.87Å; F74-F116 HydrophobicContact CE1-CD1 4.46Å; F74-F116 AromaticContact CE1-CD2 3.6Å; F74-F116 HydrophobicContact CE1-CD2 3.6Å; F74-F116 HydrophobicContact CE1-CE2 4.26Å; F74-F116 AromaticContact CE1-CG 3.72Å; F74-F116 HydrophobicContact CE1-CG 3.72Å; F74-F116 HydrophobicContact CG-CD2 4.15Å; F74-F116 HydrophobicContact CZ-CB 4.05Å; F74-F116 HydrophobicContact CZ-CG 4.4Å; F74-F126 AromaticContact CE1-CD1 3.99Å; F74-F126 HydrophobicContact CE1-CD1 3.99Å; F74-F126 AromaticContact CE1-CE1 3.7Å; F74-F126 HydrophobicContact CE1-CE1 3.7Å; F74-F126 HydrophobicContact CZ-CD1 4Å; F74-F126 HydrophobicContact CZ-CE1 4.05Å; F74-F197 AromaticContact CE2-CD1 3.71Å; F74-F197 HydrophobicContact CE2-CD1 3.71Å; F74-F197 HydrophobicContact CE2-CD2 4.23Å; F74-F197 AromaticContact CE2-CE1 3.75Å; F74-F197 HydrophobicContact CE2-CE1 3.75Å; F74-F197 HydrophobicContact CE2-CE2 4.27Å; F74-F197 AromaticContact CE2-CG 3.95Å; F74-F197 HydrophobicContact CE2-CG 3.95Å; F74-F197 HydrophobicContact CE2-CZ 4.03Å; F74-F197 HydrophobicContact CZ-CD1 4.16Å; F74-F197 HydrophobicContact CZ-CD2 4.21Å; F74-F197 AromaticContact CZ-CE1 3.78Å; F74-F197 HydrophobicContact CZ-CE1 3.78Å; F74-F197 AromaticContact CZ-CE2 3.83Å; F74-F197 HydrophobicContact CZ-CE2 3.83Å; F74-F197 HydrophobicContact CZ-CG 4.36Å; F74-F197 AromaticContact CZ-CZ 3.6Å; F74-F197 HydrophobicContact CZ-CZ 3.6Å; F74-S198 CarbonylContact O-C 3.5Å; F74-S198 VanDerWaalsContact O-CA 3.23Å; F74-S198 WeakPolarHBondContact O-CA 3.36Å; F74-S198 WeakPolarHBondContact O-CB 3.38Å; F74-G199 WeakPolarHBondContact CD1-O 3.18Å; F74-G199 VanDerWaalsContact CE1-N 3.29Å; F74-G199 PolarHBondContact N-O 3.21Å; F74-G199 PolarHBondContact O-N 2.94Å
75A98.1Very high74.3Confident22 Ų2260.4 Ų60.418%0.18236%0.356CS..EExtended strand (participates in β ladder)trans-146.6126.3170.500000108.4L102 V103A75-L102 HydrophobicContact CB-CB 4.3Å; A75-L102 PolarHBondContact O-N 2.62Å; A75-V103 HydrophobicContact CB-CB 4.06Å; A75-V103 HydrophobicContact CB-CG2 4.15Å; A75-V103 PolarHBondContact N-O 2.75Å; A75-V103 PolarHBondContact O-N 3.4Å
76A96.9Very high75Confident1 Ų160 Ų601%0.00835%0.353CS..EExtended strand (participates in β ladder)trans-131.7144.7179.800000110.1F98 Q100 V101 F109 S196 F197A76-F98 HydrophobicContact CB-CB 3.66Å; A76-F98 HydrophobicContact CB-CG 4Å; A76-Q100 CarbonylContact C-O 3.46Å; A76-Q100 VanDerWaalsContact CA-O 3.27Å; A76-Q100 WeakPolarHBondContact CA-O 3.48Å; A76-V101 HydrophobicContact CB-CG2 4.41Å; A76-F109 HydrophobicContact CB-CD1 4.33Å; A76-F109 HydrophobicContact CB-CE1 3.58Å; A76-F109 HydrophobicContact CB-CZ 3.69Å; A76-S196 CarbonylContact O-C 3.41Å; A76-S196 WeakPolarHBondContact O-CA 3.38Å; A76-F197 PolarHBondContact N-O 2.67Å; A76-F197 PolarHBondContact O-N 2.86Å
77V96.4Very high75.1Confident33 Ų3357.3 Ų57.320%0.234%0.34CS..EExtended strand (participates in β ladder)trans-134.1154.1-177.2-610000111.4D99 Q100 L102 S195V77-D99 PolarHBondContact O-N 3.09Å; V77-Q100 HydrophobicContact CG2-CB 3.86Å; V77-Q100 HydrophobicContact CG2-CG 4.18Å; V77-Q100 PolarHBondContact N-O 3.05Å; V77-Q100 PolarHBondContact O-N 2.77Å; V77-Q100 VanDerWaalsContact O-N 3.09Å; V77-L102 HydrophobicContact CG1-CD1 3.71Å; V77-L102 HydrophobicContact CG1-CG 4.42Å; V77-L102 HydrophobicContact CG2-CD1 4.09Å; V77-L102 HydrophobicContact CG2-CD2 4.22Å; V77-L102 HydrophobicContact CG2-CG 4.12Å; V77-S195 CarbonylContact C-O 3.43Å; V77-S195 VanDerWaalsContact CA-O 3.28Å; V77-S195 WeakPolarHBondContact CA-O 3.24Å
78R92.2Very high75.4Confident8 Ų857.3 Ų57.33%0.0334%0.337CS..  trans-95.2112.3170.9-176.372.6-179.4173.9-12.1109H80 H82 Y97 F98 D99 W192 Y194 S195R78-H80 PolarHBondContact NE-O 3.19Å; R78-H82 PolarHBondContact NH2-O 2.78Å; R78-Y97 VanDerWaalsContact NH1-CZ 3.29Å; R78-Y97 PolarHBondContact NH1-OH 3.43Å; R78-Y97 PolarHBondContact NH2-OH 3.01Å; R78-F98 HydrophobicContact CB-CD1 4.49Å; R78-D99 WeakPolarHBondContact CA-OD1 3.18Å; R78-D99 VanDerWaalsContact CD-OD1 3.27Å; R78-D99 WeakPolarHBondContact CD-OD1 3.47Å; R78-D99 IonicContact NE-OD1 3.4Å; R78-D99 IonicContact NH1-OD1 3.87Å; R78-W192 WeakPolarHBondContact CB-O 3.34Å; R78-W192 VanDerWaalsContact CD-NE1 3.33Å; R78-W192 HydrophobicContact CG-CD2 4.43Å; R78-W192 HydrophobicContact CG-CG 4.05Å; R78-W192 VanDerWaalsContact CG-O 3.31Å; R78-W192 WeakPolarHBondContact CG-O 3.29Å; R78-Y194 PolarHBondContact O-N 2.81Å; R78-S195 PolarHBondContact N-O 2.97Å
79S88.4Confident75Confident33 Ų3355.7 Ų55.723%0.23133%0.328CS..  trans-99.7-11.8-174.2-60.60000113.2D99 Q100 K193S79-D99 WeakPolarHBondContact CB-OD2 3.36Å; S79-D99 PolarHBondContact N-OD1 2.72Å; S79-Q100 PolarHBondContact OG-OE1 2.89Å; S79-K193 WeakPolarHBondContact O-CE 3.43Å
80H81.7Confident74.4Confident96 Ų9655.1 Ų55.144%0.44432%0.317SS..  trans-119.1145.3-175.4-64.588.4000112.5R78 H82 D99R78-H80 PolarHBondContact NE-O 3.19Å; H80-H82 HydrophobicContact CB-CB 4.39Å; H80-H82 PolarHBondContact O-N 3.08Å; H80-D99 IonicContact CE1-OD2 3.95Å; H80-D99 PolarHBondContact CE1-OD2 3.22Å; H80-D99 IonicContact CG-OD2 3.56Å; H80-D99 IonicContact ND1-OD1 2.94Å; H80-D99 IonicContact ND1-OD2 4Å; H80-D99 PolarHBondContact ND1-OD2 2.9Å
81H72.9Confident73.3Confident69 Ų6955.1 Ų55.132%0.31932%0.317SS..  trans-79.70.5169.2-80.8-75.9000113.1E83 K193H81-E83 PolarHBondContact O-N 2.87Å; H81-E83 VanDerWaalsContact O-N 3.13Å; H81-K193 WeakPolarHBondContact CD2-CD 3.4Å; H81-K193 VanDerWaalsContact NE2-CD 3.31Å; H81-K193 WeakPolarHBondContact NE2-CD 3.44Å
82H66.9Low71.3Confident135 Ų13552.6 Ų52.663%0.62532%0.316SS*.PPolyproline II helixtrans-53.6126-175.8-80-117.6000110.1R78 H80R78-H82 PolarHBondContact NH2-O 2.78Å; H80-H82 HydrophobicContact CB-CB 4.39Å; H80-H82 PolarHBondContact O-N 3.08Å
83E61.2Low69.4Low91 Ų9156.6 Ų56.643%0.42535%0.345SS..PPolyproline II helixtrans-50.2141166-65.8-58.3144.900108H81 A85 L189 G190 G191H81-E83 PolarHBondContact O-N 2.87Å; H81-E83 VanDerWaalsContact O-N 3.13Å; E83-A85 PolarHBondContact O-N 3.38Å; E83-A85 VanDerWaalsContact O-N 3.09Å; E83-L189 WeakPolarHBondContact OE2-CA 3.3Å; E83-G190 WeakPolarHBondContact OE1-CA 3.37Å; E83-G190 PolarHBondContact OE1-N 2.82Å; E83-G190 PolarHBondContact OE2-N 2.92Å; E83-G191 PolarHBondContact OE1-N 2.55Å
84P57.7Low68Low15 Ų1556.5 Ų56.510%0.09735%0.346CS..PPolyproline II helixtrans-56.5122.8175.917.1-18.5000108.5G86 Y97 W192P84-G86 VanDerWaalsContact C-N 3.25Å; P84-G86 PolarHBondContact O-N 2.8Å; P84-Y97 HydrophobicContact CB-CE1 4.34Å; P84-W192 HydrophobicContact CB-CH2 3.79Å; P84-W192 HydrophobicContact CB-CZ3 4.08Å; P84-W192 HydrophobicContact CG-CH2 4.05Å; P84-W192 HydrophobicContact CG-CZ3 3.79Å
85A44.7Very low67.1Low105 Ų10557.3 Ų57.387%0.86835%0.354SS*.SBendtrans-67.891.9162.300000107.1E83E83-A85 PolarHBondContact O-N 3.38Å; E83-A85 VanDerWaalsContact O-N 3.09Å
86G53.8Low66.7Low52 Ų5256.3 Ų56.354%0.53635%0.345SS..SBendtrans108.5-162.9175.700000116.7P84 T88 G89P84-G86 VanDerWaalsContact C-N 3.25Å; P84-G86 PolarHBondContact O-N 2.8Å; G86-T88 PolarHBondContact O-N 2.87Å; G86-G89 PolarHBondContact O-N 2.91Å; G86-G89 VanDerWaalsContact O-N 3.1Å
87E48Very low66.2Low133 Ų13359.2 Ų59.262%0.62136%0.356SS*.G310 helixtrans-48.5-25.5-163.1-63.9179.4160.100116.5G89 N90 T92E87-G89 PolarHBondContact O-N 3.45Å; E87-N90 PolarHBondContact O-N 2.81Å; E87-T92 CarbonylContact C-O 3.55Å; E87-T92 WeakPolarHBondContact CB-O 3.34Å; E87-T92 PolarHBondContact O-N 2.75Å; E87-T92 VanDerWaalsContact O-N 3.15Å; E87-T92 VanDerWaalsContact O-O 3.09Å; E87-T92 PolarHBondContact O-OG1 3Å
88T53.9Low66Low23 Ų2357.7 Ų57.714%0.14135%0.347CS..G310 helixtrans-65.8-21.5179-30.40000113.2G86 Y97G86-T88 PolarHBondContact O-N 2.87Å; T88-Y97 HydrophobicContact CG2-CD1 4.43Å
89G48Very low65.9Low6 Ų658.4 Ų58.46%0.06235%0.352CS..G310 helixtrans-78.9-21.1177.900000115.7G86 E87 N187 L189G86-G89 PolarHBondContact O-N 2.91Å; G86-G89 VanDerWaalsContact O-N 3.1Å; E87-G89 PolarHBondContact O-N 3.45Å; G89-N187 VanDerWaalsContact O-CB 3.27Å; G89-N187 WeakPolarHBondContact O-CB 3.47Å; G89-L189 WeakPolarHBondContact O-CD2 3.42Å
90N48.4Very low66.1Low127 Ų12761 Ų6168%0.67936%0.36SS*.G310 helixtrans-112.723.1-170.8-129.27.6000111.9E87 T92E87-N90 PolarHBondContact O-N 2.81Å; N90-T92 PolarHBondContact O-N 3.11Å; N90-T92 PolarHBondContact O-OG1 2.93Å
91G50.3Low66.8Low38 Ų3858.6 Ų58.639%0.39235%0.352SS..THydrogen-bonded Turntrans65.917.1-177.500000113.5
92T47.3Very low67.9Low72 Ų7260 Ų6044%0.44236%0.362SS..  trans-101105.4-174.1-12.70000109.9E87 N90 G94E87-T92 CarbonylContact C-O 3.55Å; E87-T92 WeakPolarHBondContact CB-O 3.34Å; E87-T92 PolarHBondContact O-N 2.75Å; E87-T92 VanDerWaalsContact O-N 3.15Å; E87-T92 VanDerWaalsContact O-O 3.09Å; E87-T92 PolarHBondContact O-OG1 3Å; N90-T92 PolarHBondContact O-N 3.11Å; N90-T92 PolarHBondContact O-OG1 2.93Å; T92-G94 VanDerWaalsContact C-N 3.27Å; T92-G94 PolarHBondContact O-N 3.1Å
93S56.1Low69.3Low97 Ų9756.3 Ų56.368%0.67835%0.348SS*.SBendtrans66.2-31.9153.2-161.50000120.5
94G66.6Low71Confident25 Ų2554.9 Ų54.926%0.25834%0.344SS..PPolyproline II helixtrans-77147.2-172.600000115T92T92-G94 VanDerWaalsContact C-N 3.27Å; T92-G94 PolarHBondContact O-N 3.1Å
95A80.4Confident72.8Confident23 Ų2358.5 Ų58.519%0.1936%0.359CS..BIsolated β-bridgetrans-62.7147.6165.200000110.5Y97 S113 L181A95-Y97 PolarHBondContact O-N 3.27Å; A95-S113 WeakPolarHBondContact CB-O 3.42Å; A95-L181 CarbonylContact C-O 3.59Å; A95-L181 VanDerWaalsContact CA-O 3.27Å; A95-L181 WeakPolarHBondContact CA-O 3.33Å
96I88.9Confident75Confident0 Ų055.4 Ų55.40%034%0.337CS..PPolyproline II helixtrans-67.3121.5171-59.1175.5000107.1F98 V130 V141 L181 L183 L188I96-F98 HydrophobicContact CG2-CE2 4.29Å; I96-F98 HydrophobicContact CG2-CZ 4.18Å; I96-F98 WeakPolarHBondContact O-CE2 3.44Å; I96-V130 HydrophobicContact CD1-CG1 4.29Å; I96-V130 HydrophobicContact CD1-CG2 4.08Å; I96-V141 HydrophobicContact CD1-CB 4.4Å; I96-V141 HydrophobicContact CD1-CG1 3.69Å; I96-V141 HydrophobicContact CD1-CG2 3.83Å; I96-L181 HydrophobicContact CB-CB 4.16Å; I96-L181 HydrophobicContact CD1-CB 4.23Å; I96-L181 HydrophobicContact CG1-CB 4.44Å; I96-L181 PolarHBondContact N-O 3.15Å; I96-L183 HydrophobicContact CD1-CB 4.46Å; I96-L183 HydrophobicContact CG1-CB 4.45Å; I96-L188 HydrophobicContact CD1-CD1 4.17Å; I96-L188 HydrophobicContact CG1-CD1 4.3Å; I96-L188 HydrophobicContact CG2-CD1 4.41Å
97Y87.1Confident76.9Confident62 Ų6255.6 Ų55.624%0.24334%0.339CS..PPolyproline II helixtrans-102156.2-17674.7-84.6000112.4R78 P84 T88 A95 W192R78-Y97 VanDerWaalsContact NH1-CZ 3.29Å; R78-Y97 PolarHBondContact NH1-OH 3.43Å; R78-Y97 PolarHBondContact NH2-OH 3.01Å; P84-Y97 HydrophobicContact CB-CE1 4.34Å; T88-Y97 HydrophobicContact CG2-CD1 4.43Å; A95-Y97 PolarHBondContact O-N 3.27Å; Y97-W192 HydrophobicContact CD1-CH2 4.18Å; Y97-W192 AromaticContact CD1-CZ2 3.72Å; Y97-W192 HydrophobicContact CD1-CZ2 3.72Å; Y97-W192 AromaticContact CE1-CH2 3.45Å; Y97-W192 HydrophobicContact CE1-CH2 3.45Å; Y97-W192 VanDerWaalsContact CE1-CH2 3.45Å; Y97-W192 AromaticContact CE1-CZ2 3.35Å; Y97-W192 HydrophobicContact CE1-CZ2 3.35Å; Y97-W192 HydrophobicContact CE2-CZ2 4.47Å; Y97-W192 HydrophobicContact CG-CZ2 4.39Å; Y97-W192 AromaticContact CZ-CH2 3.9Å; Y97-W192 AromaticContact CZ-CZ2 3.74Å; Y97-W192 PolarHBondContact O-NE1 3.22Å
98F91Very high79Confident1 Ų149.6 Ų49.60%0.00431%0.313CS..  trans-127.4122.7-175.5-62.8-89.3000108.8A76 R78 I96 F109 L181 F197A76-F98 HydrophobicContact CB-CB 3.66Å; A76-F98 HydrophobicContact CB-CG 4Å; R78-F98 HydrophobicContact CB-CD1 4.49Å; I96-F98 HydrophobicContact CG2-CE2 4.29Å; I96-F98 HydrophobicContact CG2-CZ 4.18Å; I96-F98 WeakPolarHBondContact O-CE2 3.44Å; F98-F109 HydrophobicContact CD2-CZ 4.38Å; F98-L181 HydrophobicContact CE2-CD1 4.14Å; F98-L181 HydrophobicContact CZ-CD1 3.86Å; F98-F197 HydrophobicContact CD2-CB 4.22Å; F98-F197 HydrophobicContact CD2-CD1 4.49Å; F98-F197 HydrophobicContact CE1-CB 3.9Å; F98-F197 HydrophobicContact CE2-CB 3.55Å; F98-F197 AromaticContact CE2-CD1 3.98Å; F98-F197 HydrophobicContact CE2-CD1 3.98Å; F98-F197 HydrophobicContact CE2-CG 4.19Å; F98-F197 HydrophobicContact CZ-CB 3.38Å; F98-F197 HydrophobicContact CZ-CG 4.37Å
99D89.6Confident81.1Confident24 Ų2448.9 Ų48.913%0.12831%0.308CS..SBendtrans-82.9-17-173.762.7-76.8000113.1V77 R78 S79 H80 R111V77-D99 PolarHBondContact O-N 3.09Å; R78-D99 WeakPolarHBondContact CA-OD1 3.18Å; R78-D99 VanDerWaalsContact CD-OD1 3.27Å; R78-D99 WeakPolarHBondContact CD-OD1 3.47Å; R78-D99 IonicContact NE-OD1 3.4Å; R78-D99 IonicContact NH1-OD1 3.87Å; S79-D99 WeakPolarHBondContact CB-OD2 3.36Å; S79-D99 PolarHBondContact N-OD1 2.72Å; H80-D99 IonicContact CE1-OD2 3.95Å; H80-D99 PolarHBondContact CE1-OD2 3.22Å; H80-D99 IonicContact CG-OD2 3.56Å; H80-D99 IonicContact ND1-OD1 2.94Å; H80-D99 IonicContact ND1-OD2 4Å; H80-D99 PolarHBondContact ND1-OD2 2.9Å; D99-R111 PolarHBondContact O-NE 3.17Å; D99-R111 PolarHBondContact O-NH2 2.84Å
100Q93.8Very high83.2Confident86 Ų8651.9 Ų51.940%0.40232%0.323SS..EExtended strand (participates in β ladder)trans-124.5125.4179.5-174.81745.300110.5A76 V77 S79 L102A76-Q100 CarbonylContact C-O 3.46Å; A76-Q100 VanDerWaalsContact CA-O 3.27Å; A76-Q100 WeakPolarHBondContact CA-O 3.48Å; V77-Q100 HydrophobicContact CG2-CB 3.86Å; V77-Q100 HydrophobicContact CG2-CG 4.18Å; V77-Q100 PolarHBondContact N-O 3.05Å; V77-Q100 PolarHBondContact O-N 2.77Å; V77-Q100 VanDerWaalsContact O-N 3.09Å; S79-Q100 PolarHBondContact OG-OE1 2.89Å; Q100-L102 HydrophobicContact CG-CD2 3.92Å
101V96Very high85.2Confident47 Ų4753 Ų5329%0.28532%0.317SS..EExtended strand (participates in β ladder)trans-103.3118.4173.4-1770000107.6A76 V103 N104 F109 R111A76-V101 HydrophobicContact CB-CG2 4.41Å; V101-V103 WeakPolarHBondContact CG1-O 3.32Å; V101-N104 HydrophobicContact CG1-CB 3.9Å; V101-F109 HydrophobicContact CG1-CD1 4.33Å; V101-F109 HydrophobicContact CG2-CD1 3.9Å; V101-F109 HydrophobicContact CG2-CE1 3.88Å; V101-R111 HydrophobicContact CG2-CB 3.95Å; V101-R111 HydrophobicContact CG2-CG 4.02Å
102L96.5Very high86.9Confident99 Ų9955.5 Ų55.552%0.51833%0.334SS..EExtended strand (participates in β ladder)trans-89.8-38.5-178.5-56.8179000111.6A75 V77 Q100A75-L102 HydrophobicContact CB-CB 4.3Å; A75-L102 PolarHBondContact O-N 2.62Å; V77-L102 HydrophobicContact CG1-CD1 3.71Å; V77-L102 HydrophobicContact CG1-CG 4.42Å; V77-L102 HydrophobicContact CG2-CD1 4.09Å; V77-L102 HydrophobicContact CG2-CD2 4.22Å; V77-L102 HydrophobicContact CG2-CG 4.12Å; Q100-L102 HydrophobicContact CG-CD2 3.92Å
103V96.7Very high88.8Confident57 Ų5754 Ų5435%0.34533%0.327SS..EExtended strand (participates in β ladder)trans-136.7138.6-180-176.80000108A73 F74 A75 V101 E105A73-V103 HydrophobicContact CB-CG1 4.24Å; F74-V103 CarbonylContact C-O 3.57Å; F74-V103 WeakPolarHBondContact CA-O 3.35Å; A75-V103 HydrophobicContact CB-CB 4.06Å; A75-V103 HydrophobicContact CB-CG2 4.15Å; A75-V103 PolarHBondContact N-O 2.75Å; A75-V103 PolarHBondContact O-N 3.4Å; V101-V103 WeakPolarHBondContact CG1-O 3.32Å; V103-E105 HydrophobicContact CG1-CG 3.9Å
104N96.3Very high90.4Very high61 Ų6149.4 Ų49.433%0.32630%0.295SS..EExtended strand (participates in β ladder)trans-150.950.7173.5-160.713000111.6A73 V101 G107 F109A73-N104 CarbonylContact O-C 3.57Å; A73-N104 WeakPolarHBondContact O-CA 3.45Å; V101-N104 HydrophobicContact CG1-CB 3.9Å; N104-G107 PolarHBondContact O-N 2.81Å; N104-G107 VanDerWaalsContact O-N 3.16Å; N104-F109 PolarHBondContact ND2-O 2.88Å; N104-F109 WeakPolarHBondContact OD1-CB 3.26Å; N104-F109 PolarHBondContact OD1-N 3.4Å
105E95.8Very high91.7Very high91 Ų9148.4 Ų48.443%0.42528%0.284SS..EExtended strand (participates in β ladder)trans-65.5131.8175.9-62.4-59.613500110.2V72 A73 V103 G107V72-E105 WeakPolarHBondContact CA-O 3.34Å; A73-E105 HydrophobicContact CB-CB 4.32Å; A73-E105 PolarHBondContact N-O 2.81Å; A73-E105 VanDerWaalsContact N-O 3.08Å; A73-E105 PolarHBondContact O-N 2.76Å; V103-E105 HydrophobicContact CG1-CG 3.9Å; E105-G107 PolarHBondContact O-N 3.29Å
106G91.2Very high92.5Very high39 Ų3947.3 Ų47.340%0.40228%0.275SS..THydrogen-bonded Turntrans77.11-174.100000114.5G108G106-G108 PolarHBondContact O-N 3.09Å; G106-G108 VanDerWaalsContact O-N 3.12Å
107G92.4Very high93Very high56 Ų5649.2 Ų49.258%0.57729%0.287SS*.THydrogen-bonded Turntrans6418.717000000115.6N104 E105N104-G107 PolarHBondContact O-N 2.81Å; N104-G107 VanDerWaalsContact O-N 3.16Å; E105-G107 PolarHBondContact O-N 3.29Å
108G93.6Very high93.4Very high8 Ų846.4 Ų46.48%0.08228%0.276CS..  trans-76.9-20.3-175.500000114.5G106 F116 V117G106-G108 PolarHBondContact O-N 3.09Å; G106-G108 VanDerWaalsContact O-N 3.12Å; G108-F116 CarbonylContact O-C 3.49Å; G108-F116 WeakPolarHBondContact O-CA 3.27Å; G108-V117 WeakPolarHBondContact CA-O 3.47Å; G108-V117 PolarHBondContact O-N 3.13Å
109F96.6Very high93.7Very high8 Ų849 Ų494%0.03529%0.293CS..EExtended strand (participates in β ladder)trans-94125.3-178.3-170-99.5000112.4F74 A76 F98 V101 N104 F116 F197F74-F109 HydrophobicContact CB-CB 3.64Å; F74-F109 HydrophobicContact CB-CG 4.21Å; F74-F109 HydrophobicContact CD2-CB 3.98Å; F74-F109 HydrophobicContact CD2-CD1 4.47Å; F74-F109 AromaticContact CD2-CD2 3.28Å; F74-F109 HydrophobicContact CD2-CD2 3.28Å; F74-F109 AromaticContact CD2-CE2 3.82Å; F74-F109 HydrophobicContact CD2-CE2 3.82Å; F74-F109 AromaticContact CD2-CG 3.66Å; F74-F109 HydrophobicContact CD2-CG 3.66Å; F74-F109 AromaticContact CE2-CD2 3.5Å; F74-F109 HydrophobicContact CE2-CD2 3.5Å; F74-F109 AromaticContact CE2-CE2 3.71Å; F74-F109 HydrophobicContact CE2-CE2 3.71Å; F74-F109 HydrophobicContact CE2-CG 4.34Å; F74-F109 HydrophobicContact CG-CB 3.82Å; F74-F109 AromaticContact CG-CD2 3.92Å; F74-F109 HydrophobicContact CG-CD2 3.92Å; F74-F109 HydrophobicContact CG-CG 4.05Å; F74-F109 HydrophobicContact CZ-CD2 4.29Å; A76-F109 HydrophobicContact CB-CD1 4.33Å; A76-F109 HydrophobicContact CB-CE1 3.58Å; A76-F109 HydrophobicContact CB-CZ 3.69Å; F98-F109 HydrophobicContact CD2-CZ 4.38Å; V101-F109 HydrophobicContact CG1-CD1 4.33Å; V101-F109 HydrophobicContact CG2-CD1 3.9Å; V101-F109 HydrophobicContact CG2-CE1 3.88Å; N104-F109 PolarHBondContact ND2-O 2.88Å; N104-F109 WeakPolarHBondContact OD1-CB 3.26Å; N104-F109 PolarHBondContact OD1-N 3.4Å; F109-F116 HydrophobicContact CD2-CB 4.17Å; F109-F197 AromaticContact CE2-CD1 3.87Å; F109-F197 HydrophobicContact CE2-CD1 3.87Å; F109-F197 HydrophobicContact CE2-CE1 4Å
110D92.6Very high93.9Very high68 Ų6850.4 Ų50.436%0.36430%0.302SS..EExtended strand (participates in β ladder)trans-100.8115.1173171.324.8000110.9A112 S113 G114 S115D110-A112 VanDerWaalsContact C-N 3.32Å; D110-A112 PolarHBondContact O-N 2.85Å; D110-A112 PolarHBondContact OD1-N 2.9Å; D110-S113 WeakPolarHBondContact CB-OG 3.43Å; D110-S113 VanDerWaalsContact CG-OG 3.25Å; D110-S113 WeakPolarHBondContact OD2-CB 3.3Å; D110-S113 PolarHBondContact OD2-N 2.97Å; D110-S113 PolarHBondContact OD2-OG 2.97Å; D110-G114 WeakPolarHBondContact O-CA 3.28Å; D110-G114 PolarHBondContact O-N 3.46Å; D110-S115 PolarHBondContact N-O 2.9Å; D110-S115 PolarHBondContact O-N 3.21Å
111R89.4Confident94Very high150 Ų15052.4 Ų52.457%0.56631%0.306SS*.THydrogen-bonded Turntrans-63.1-35.1178.9-175.9-177.1177.1-157.8-1.5112.8D99 V101D99-R111 PolarHBondContact O-NE 3.17Å; D99-R111 PolarHBondContact O-NH2 2.84Å; V101-R111 HydrophobicContact CG2-CB 3.95Å; V101-R111 HydrophobicContact CG2-CG 4.02Å
112A86.9Confident94Very high91 Ų9150.1 Ų50.175%0.75229%0.293SS*.THydrogen-bonded Turntrans-71.6-43.1-175.300000111.3D110D110-A112 VanDerWaalsContact C-N 3.32Å; D110-A112 PolarHBondContact O-N 2.85Å; D110-A112 PolarHBondContact OD1-N 2.9Å
113S86.5Confident94.1Very high42 Ų4246.6 Ų46.629%0.29428%0.275SS..THydrogen-bonded Turntrans-85.5-15.9176.662.20000114.3A95 D110 S115A95-S113 WeakPolarHBondContact CB-O 3.42Å; D110-S113 WeakPolarHBondContact CB-OG 3.43Å; D110-S113 VanDerWaalsContact CG-OG 3.25Å; D110-S113 WeakPolarHBondContact OD2-CB 3.3Å; D110-S113 PolarHBondContact OD2-N 2.97Å; D110-S113 PolarHBondContact OD2-OG 2.97Å; S113-S115 VanDerWaalsContact C-N 3.25Å; S113-S115 PolarHBondContact O-N 3Å; S113-S115 PolarHBondContact OG-OG 2.88Å
114G90.4Very high94.1Very high0 Ų043.9 Ų43.90%026%0.258CS..THydrogen-bonded Turntrans66.229-173.500000112.7D110D110-G114 WeakPolarHBondContact O-CA 3.28Å; D110-G114 PolarHBondContact O-N 3.46Å
115S94.7Very high94.2Very high3 Ų341.9 Ų41.92%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-129145.5-173.569.80000112.6D110 S113 R178 V179D110-S115 PolarHBondContact N-O 2.9Å; D110-S115 PolarHBondContact O-N 3.21Å; S113-S115 VanDerWaalsContact C-N 3.25Å; S113-S115 PolarHBondContact O-N 3Å; S113-S115 PolarHBondContact OG-OG 2.88Å; S115-R178 PolarHBondContact OG-NH1 2.83Å; S115-V179 CarbonylContact C-O 3.53Å; S115-V179 WeakPolarHBondContact CA-O 3.27Å
116F97.4Very high94.4Very high1 Ų137.5 Ų37.50%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-93.8137.4171.8175.3-99.8000109.5V72 F74 G108 F109 A118 Y124 F126 L173 R178 V179V72-F116 HydrophobicContact CG1-CE2 3.79Å; V72-F116 HydrophobicContact CG1-CZ 3.75Å; F74-F116 HydrophobicContact CD1-CB 4.34Å; F74-F116 AromaticContact CD1-CD2 3.37Å; F74-F116 HydrophobicContact CD1-CD2 3.37Å; F74-F116 AromaticContact CD1-CE2 3.85Å; F74-F116 HydrophobicContact CD1-CE2 3.85Å; F74-F116 AromaticContact CD1-CG 3.99Å; F74-F116 HydrophobicContact CD1-CG 3.99Å; F74-F116 HydrophobicContact CE1-CB 3.87Å; F74-F116 HydrophobicContact CE1-CD1 4.46Å; F74-F116 AromaticContact CE1-CD2 3.6Å; F74-F116 HydrophobicContact CE1-CD2 3.6Å; F74-F116 HydrophobicContact CE1-CE2 4.26Å; F74-F116 AromaticContact CE1-CG 3.72Å; F74-F116 HydrophobicContact CE1-CG 3.72Å; F74-F116 HydrophobicContact CG-CD2 4.15Å; F74-F116 HydrophobicContact CZ-CB 4.05Å; F74-F116 HydrophobicContact CZ-CG 4.4Å; G108-F116 CarbonylContact O-C 3.49Å; G108-F116 WeakPolarHBondContact O-CA 3.27Å; F109-F116 HydrophobicContact CD2-CB 4.17Å; F116-A118 HydrophobicContact CE1-CB 4.13Å; F116-Y124 HydrophobicContact CE1-CD1 4.01Å; F116-Y124 AromaticContact CE1-CE1 3.92Å; F116-Y124 HydrophobicContact CE1-CE1 3.92Å; F116-Y124 AromaticContact CZ-CD1 3.98Å; F116-Y124 HydrophobicContact CZ-CD1 3.98Å; F116-Y124 AromaticContact CZ-CE1 3.62Å; F116-Y124 HydrophobicContact CZ-CE1 3.62Å; F116-F126 HydrophobicContact CB-CE1 4.47Å; F116-F126 AromaticContact CD1-CE1 3.76Å; F116-F126 HydrophobicContact CD1-CE1 3.76Å; F116-F126 AromaticContact CD1-CZ 3.76Å; F116-F126 HydrophobicContact CD1-CZ 3.76Å; F116-F126 HydrophobicContact CE1-CE1 4.26Å; F116-F126 AromaticContact CE1-CZ 3.97Å; F116-F126 HydrophobicContact CE1-CZ 3.97Å; F116-F126 HydrophobicContact CG-CE1 4.19Å; F116-L173 HydrophobicContact CD1-CD1 4.47Å; F116-L173 HydrophobicContact CE1-CD1 4.12Å; F116-R178 CarbonylContact O-C 3.55Å; F116-R178 VanDerWaalsContact O-CA 3.27Å; F116-R178 WeakPolarHBondContact O-CA 3.29Å; F116-V179 HydrophobicContact CB-CB 4.43Å; F116-V179 HydrophobicContact CD1-CB 4.47Å; F116-V179 PolarHBondContact N-O 3.16Å; F116-V179 PolarHBondContact O-N 3.29Å
117V97.6Very high94.7Very high40 Ų4042 Ų4224%0.24223%0.233CC..EExtended strand (participates in β ladder)trans-117.9123172.3-177.90000107.6G108 P119 D177 R178G108-V117 WeakPolarHBondContact CA-O 3.47Å; G108-V117 PolarHBondContact O-N 3.13Å; V117-P119 VanDerWaalsContact O-CD 3.24Å; V117-P119 WeakPolarHBondContact O-CD 3.49Å; V117-D177 WeakPolarHBondContact CA-O 3.4Å; V117-R178 HydrophobicContact CG2-CG 4.46Å
118A97.1Very high95Very high2 Ų239.3 Ų39.32%0.01721%0.206CC..  trans-65.2118.4-178.700000110.4F116 Y124 L173 P175 G176 D177F116-A118 HydrophobicContact CE1-CB 4.13Å; A118-Y124 HydrophobicContact CB-CE2 4.27Å; A118-L173 HydrophobicContact CB-CB 3.83Å; A118-L173 HydrophobicContact CB-CD1 3.99Å; A118-P175 WeakPolarHBondContact O-CA 3.34Å; A118-G176 PolarHBondContact O-N 2.86Å; A118-D177 PolarHBondContact N-O 2.87Å
119P95.6Very high95.1Very high57 Ų5741.6 Ų41.637%0.3722%0.215SC..SBendtrans-80.6-26.1179.431.7-34.7000112.3V72 V117V72-P119 HydrophobicContact CB-CG 4.42Å; V72-P119 HydrophobicContact CG1-CG 3.85Å; V72-P119 HydrophobicContact CG2-CG 3.64Å; V117-P119 VanDerWaalsContact O-CD 3.24Å; V117-P119 WeakPolarHBondContact O-CD 3.49Å
120V94.9Very high95Very high53 Ų5341.3 Ų41.332%0.32121%0.213SC..SBendtrans-136.4155.9-178.8-60.50000110.5V72 Y124 L201V72-V120 HydrophobicContact CG2-CG2 4.22Å; V120-Y124 WeakPolarHBondContact CG2-OH 3.27Å; V120-Y124 PolarHBondContact O-OH 2.82Å; V120-L201 HydrophobicContact CG2-CD2 3.65Å
121R96.3Very high94.9Very high127 Ų12739 Ų3948%0.47920%0.202SC..SBendtrans-69.9135174.1-164.6-179.7-171-147.5-2.5110L173 D174 P175 P204 L205R121-L173 WeakPolarHBondContact CA-O 3.27Å; R121-D174 WeakPolarHBondContact CD-OD1 3.45Å; R121-D174 WeakPolarHBondContact CG-OD1 3.45Å; R121-D174 IonicContact CZ-OD1 3.4Å; R121-D174 IonicContact NE-OD1 2.75Å; R121-D174 PolarHBondContact NE-OD1 3.44Å; R121-P175 HydrophobicContact CB-CG 4.24Å; R121-P204 VanDerWaalsContact O-CA 3.29Å; R121-P204 WeakPolarHBondContact O-CA 3.28Å; R121-L205 HydrophobicContact CG-CB 4.18Å; R121-L205 PolarHBondContact O-N 2.86Å
122G96Very high94.7Very high0 Ų032 Ų320%018%0.175CC..EExtended strand (participates in β ladder)trans170.4-176.717900000114.4Y124 P172 L173 F203G122-Y124 WeakPolarHBondContact O-CD2 3.34Å; G122-P172 WeakPolarHBondContact O-CA 3.31Å; G122-L173 PolarHBondContact N-O 2.76Å; G122-L173 VanDerWaalsContact N-O 3.11Å; G122-L173 PolarHBondContact O-N 3.17Å; G122-F203 VanDerWaalsContact CA-O 3.3Å; G122-F203 WeakPolarHBondContact CA-O 3.4Å
123V97.5Very high94.4Very high24 Ų2427.7 Ų27.715%0.14514%0.14CC..EExtended strand (participates in β ladder)trans-98.9124.2173.5-177.80000109.5L170 I202 F203 L205V123-L170 HydrophobicContact CG1-CB 4.43Å; V123-I202 HydrophobicContact CG1-CD1 4.31Å; V123-I202 WeakPolarHBondContact O-CB 3.4Å; V123-I202 PolarHBondContact O-N 3.45Å; V123-F203 HydrophobicContact CB-CD2 4.41Å; V123-F203 HydrophobicContact CB-CE1 4.36Å; V123-F203 HydrophobicContact CB-CE2 3.87Å; V123-F203 HydrophobicContact CB-CZ 3.83Å; V123-F203 HydrophobicContact CG1-CZ 4.44Å; V123-F203 HydrophobicContact CG2-CD2 4.28Å; V123-F203 HydrophobicContact CG2-CE2 3.43Å; V123-F203 VanDerWaalsContact CG2-CE2 3.43Å; V123-F203 HydrophobicContact CG2-CZ 3.6Å; V123-F203 PolarHBondContact N-O 3.41Å; V123-L205 HydrophobicContact CG2-CD1 3.94Å; V123-L205 HydrophobicContact CG2-CG 4.42Å
124Y97.9Very high93.8Very high0 Ų032.9 Ų32.90%015%0.154CC..EExtended strand (participates in β ladder)trans-113.4143.4-176.2-68.5-98.9000111.1V72 F116 A118 V120 G122 F126 L170 L171 L173 F200 L201V72-Y124 HydrophobicContact CB-CE1 4.29Å; V72-Y124 HydrophobicContact CG1-CE1 4.03Å; F116-Y124 HydrophobicContact CE1-CD1 4.01Å; F116-Y124 AromaticContact CE1-CE1 3.92Å; F116-Y124 HydrophobicContact CE1-CE1 3.92Å; F116-Y124 AromaticContact CZ-CD1 3.98Å; F116-Y124 HydrophobicContact CZ-CD1 3.98Å; F116-Y124 AromaticContact CZ-CE1 3.62Å; F116-Y124 HydrophobicContact CZ-CE1 3.62Å; A118-Y124 HydrophobicContact CB-CE2 4.27Å; V120-Y124 WeakPolarHBondContact CG2-OH 3.27Å; V120-Y124 PolarHBondContact O-OH 2.82Å; G122-Y124 WeakPolarHBondContact O-CD2 3.34Å; Y124-F126 VanDerWaalsContact CB-CE2 3.45Å; Y124-F126 HydrophobicContact CG-CE2 4.39Å; Y124-F126 HydrophobicContact CG-CZ 4.32Å; Y124-L170 CarbonylContact O-C 3.59Å; Y124-L170 VanDerWaalsContact O-CA 3.28Å; Y124-L170 WeakPolarHBondContact O-CA 3.38Å; Y124-L171 PolarHBondContact N-O 3.21Å; Y124-L171 PolarHBondContact O-N 2.87Å; Y124-L173 HydrophobicContact CD2-CB 3.76Å; Y124-L173 HydrophobicContact CD2-CD1 3.66Å; Y124-L173 HydrophobicContact CD2-CG 3.77Å; Y124-L173 HydrophobicContact CE2-CB 3.85Å; Y124-L173 HydrophobicContact CE2-CD1 4.16Å; Y124-L173 HydrophobicContact CE2-CG 4.33Å; Y124-L173 HydrophobicContact CG-CD1 3.91Å; Y124-L173 HydrophobicContact CG-CG 4.41Å; Y124-F200 CarbonylContact C-O 3.51Å; Y124-F200 VanDerWaalsContact CA-O 3.31Å; Y124-F200 WeakPolarHBondContact CA-O 3.46Å; Y124-L201 HydrophobicContact CD1-CB 4.01Å; Y124-L201 HydrophobicContact CD1-CD1 4.38Å; Y124-L201 HydrophobicContact CD2-CD1 4.23Å; Y124-L201 HydrophobicContact CE1-CB 3.7Å; Y124-L201 HydrophobicContact CE1-CD1 4.01Å; Y124-L201 HydrophobicContact CE1-CG 4.4Å; Y124-L201 HydrophobicContact CE2-CD1 3.86Å; Y124-L201 HydrophobicContact CG-CD1 4.48Å
125S98.2Very high93Very high19 Ų1933.3 Ų33.313%0.13316%0.156CC..EExtended strand (participates in β ladder)trans-97.5132168.1-176.10000109.8G199 F200S125-G199 CarbonylContact O-C 3.57Å; S125-G199 WeakPolarHBondContact O-CA 3.4Å; S125-F200 PolarHBondContact N-O 2.95Å; S125-F200 PolarHBondContact O-N 3.17Å
126F98.5Very high92.4Very high0 Ų041.9 Ų41.90%019%0.188CC..EExtended strand (participates in β ladder)trans-124.2139.9173.1-63.7-81.6000110.7F74 F116 Y124 L143 S168 V169 L171 L173 V179 F197F74-F126 AromaticContact CE1-CD1 3.99Å; F74-F126 HydrophobicContact CE1-CD1 3.99Å; F74-F126 AromaticContact CE1-CE1 3.7Å; F74-F126 HydrophobicContact CE1-CE1 3.7Å; F74-F126 HydrophobicContact CZ-CD1 4Å; F74-F126 HydrophobicContact CZ-CE1 4.05Å; F116-F126 HydrophobicContact CB-CE1 4.47Å; F116-F126 AromaticContact CD1-CE1 3.76Å; F116-F126 HydrophobicContact CD1-CE1 3.76Å; F116-F126 AromaticContact CD1-CZ 3.76Å; F116-F126 HydrophobicContact CD1-CZ 3.76Å; F116-F126 HydrophobicContact CE1-CE1 4.26Å; F116-F126 AromaticContact CE1-CZ 3.97Å; F116-F126 HydrophobicContact CE1-CZ 3.97Å; F116-F126 HydrophobicContact CG-CE1 4.19Å; Y124-F126 VanDerWaalsContact CB-CE2 3.45Å; Y124-F126 HydrophobicContact CG-CE2 4.39Å; Y124-F126 HydrophobicContact CG-CZ 4.32Å; F126-L143 HydrophobicContact CB-CD1 3.64Å; F126-L143 HydrophobicContact CG-CD1 4.16Å; F126-S168 CarbonylContact O-C 3.56Å; F126-S168 WeakPolarHBondContact O-CA 3.23Å; F126-S168 WeakPolarHBondContact O-CB 3.4Å; F126-V169 HydrophobicContact CB-CG1 4.42Å; F126-V169 PolarHBondContact N-O 2.92Å; F126-V169 PolarHBondContact O-N 3.44Å; F126-L171 HydrophobicContact CD2-CD1 4.33Å; F126-L171 HydrophobicContact CE2-CB 4.36Å; F126-L173 HydrophobicContact CE2-CD1 3.76Å; F126-L173 HydrophobicContact CZ-CD1 3.62Å; F126-V179 HydrophobicContact CD1-CG1 4.08Å; F126-V179 HydrophobicContact CE1-CB 4.02Å; F126-V179 HydrophobicContact CE1-CG1 3.97Å; F126-V179 HydrophobicContact CE1-CG2 4.2Å; F126-V179 HydrophobicContact CE2-CG1 4.43Å; F126-V179 HydrophobicContact CE2-CG2 3.99Å; F126-V179 HydrophobicContact CG-CG1 4.35Å; F126-V179 HydrophobicContact CZ-CB 4.03Å; F126-V179 HydrophobicContact CZ-CG1 4.17Å; F126-V179 HydrophobicContact CZ-CG2 3.68Å; F126-F197 HydrophobicContact CD1-CE2 4.06Å; F126-F197 HydrophobicContact CD1-CZ 4.21Å
127R98.3Very high91.6Very high132 Ų13246.5 Ų46.550%0.49821%0.21SC..EExtended strand (participates in β ladder)trans-138.6140172.2177.1171.9-78.7-168.1-1.1109.7S198R127-S198 PolarHBondContact N-O 2.8Å; R127-S198 PolarHBondContact O-N 2.88Å; R127-S198 VanDerWaalsContact O-O 3.1Å
128F98Very high91.2Very high0 Ų046.1 Ų46.10%021%0.207CC..EExtended strand (participates in β ladder)trans-137.615117269.5-92.6000112V130 V141 L143 I151 A153 T166 S167 L181 S196 F197F128-V130 HydrophobicContact CD2-CG2 4.15Å; F128-V141 HydrophobicContact CD2-CG1 4.22Å; F128-V141 HydrophobicContact CE2-CB 4.08Å; F128-V141 HydrophobicContact CE2-CG1 3.79Å; F128-V141 HydrophobicContact CZ-CG1 4.3Å; F128-L143 HydrophobicContact CD1-CB 4.4Å; F128-L143 HydrophobicContact CD1-CD1 4.35Å; F128-L143 HydrophobicContact CE1-CB 4.02Å; F128-I151 HydrophobicContact CE1-CD1 3.87Å; F128-I151 HydrophobicContact CE1-CG1 4.35Å; F128-A153 HydrophobicContact CE2-CB 3.78Å; F128-A153 HydrophobicContact CZ-CB 3.77Å; F128-T166 WeakPolarHBondContact O-CA 3.31Å; F128-S167 PolarHBondContact N-O 2.87Å; F128-S167 PolarHBondContact O-N 3.12Å; F128-L181 HydrophobicContact CB-CD1 3.52Å; F128-L181 HydrophobicContact CB-CD2 4.02Å; F128-L181 HydrophobicContact CB-CG 4.4Å; F128-L181 HydrophobicContact CD1-CD2 3.62Å; F128-L181 HydrophobicContact CD2-CD1 4.23Å; F128-L181 HydrophobicContact CD2-CD2 4.39Å; F128-L181 HydrophobicContact CE1-CD2 4.13Å; F128-L181 HydrophobicContact CG-CD1 3.89Å; F128-L181 HydrophobicContact CG-CD2 3.76Å; F128-S196 CarbonylContact C-O 3.51Å; F128-S196 WeakPolarHBondContact CA-O 3.28Å; F128-F197 HydrophobicContact CB-CD2 4Å
129H96.5Very high90.8Very high57 Ų5746 Ų4626%0.26421%0.207SC..EExtended strand (participates in β ladder)trans-132.5114.7169.4-59.7-89.1000106.7T166 S195 S196H129-T166 WeakPolarHBondContact CE1-CG2 3.31Å; H129-T166 WeakPolarHBondContact ND1-CG2 2.9Å; H129-T166 PolarHBondContact ND1-OG1 2.86Å; H129-S195 CarbonylContact O-C 3.52Å; H129-S195 WeakPolarHBondContact O-CA 3.33Å; H129-S195 WeakPolarHBondContact O-CB 3.06Å; H129-S196 PolarHBondContact CD2-OG 3.05Å; H129-S196 PolarHBondContact N-O 3Å; H129-S196 PolarHBondContact O-N 2.87Å
130V93.9Very high90.7Very high1 Ų145.3 Ų45.31%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-110.2109.3174.1178.20000108.8I96 F128 V141 A164 A165 L181 L188 S195I96-V130 HydrophobicContact CD1-CG1 4.29Å; I96-V130 HydrophobicContact CD1-CG2 4.08Å; F128-V130 HydrophobicContact CD2-CG2 4.15Å; V130-V141 HydrophobicContact CB-CG2 3.94Å; V130-V141 HydrophobicContact CG1-CG2 4Å; V130-V141 HydrophobicContact CG2-CG1 4Å; V130-V141 HydrophobicContact CG2-CG2 4.12Å; V130-A164 CarbonylContact O-C 3.44Å; V130-A164 VanDerWaalsContact O-CA 3.3Å; V130-A164 WeakPolarHBondContact O-CA 3.3Å; V130-A165 PolarHBondContact N-O 2.74Å; V130-A165 PolarHBondContact O-N 2.92Å; V130-L181 HydrophobicContact CG2-CD1 4.15Å; V130-L188 HydrophobicContact CG1-CD1 4.14Å; V130-L188 HydrophobicContact CG1-CD2 4.01Å; V130-S195 WeakPolarHBondContact CA-OG 3.22Å
131V91Very high90.7Very high20 Ų2042.8 Ų42.812%0.12118%0.183CC..EExtended strand (participates in β ladder)trans-88.2121.2-178.2-176.90000108.6V133 E163 A164 W192 S195V131-V133 HydrophobicContact CG1-CG2 4.13Å; V131-E163 WeakPolarHBondContact CA-O 3.41Å; V131-A164 HydrophobicContact CG2-CB 4.13Å; V131-W192 WeakPolarHBondContact O-CA 3.44Å; V131-W192 WeakPolarHBondContact O-CB 3.29Å; V131-S195 PolarHBondContact N-OG 3.39Å
132K86.1Confident90.7Very high2 Ų236.8 Ų36.81%0.00916%0.161CC..EExtended strand (participates in β ladder)trans-89.2138.3165.771.1174.1-170.2167.50109N135 Q137 V139 A155 D157 E163 L188K132-N135 HydrophobicContact CB-CB 4.33Å; K132-N135 HydrophobicContact CD-CB 4.3Å; K132-N135 WeakPolarHBondContact CE-O 3.28Å; K132-N135 PolarHBondContact NZ-O 2.92Å; K132-Q137 PolarHBondContact NZ-O 3.4Å; K132-Q137 VanDerWaalsContact NZ-O 3.16Å; K132-V139 HydrophobicContact CD-CG2 4.22Å; K132-A155 HydrophobicContact CD-CB 3.95Å; K132-A155 HydrophobicContact CG-CB 4.29Å; K132-D157 PolarHBondContact NZ-O 2.82Å; K132-E163 WeakPolarHBondContact CE-OE2 3.42Å; K132-E163 HydrophobicContact CG-CB 4.26Å; K132-E163 PolarHBondContact N-O 3.03Å; K132-E163 IonicContact NZ-OE2 3.88Å; K132-E163 PolarHBondContact NZ-OE2 3.21Å; K132-E163 PolarHBondContact O-N 2.83Å; K132-L188 HydrophobicContact CB-CD2 4.48Å
133V80.1Confident90.8Very high1 Ų136.8 Ų36.81%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-123.1128.5178.6-162.90000108.4V131 N135 R162V131-V133 HydrophobicContact CG1-CG2 4.13Å; V133-N135 VanDerWaalsContact C-N 3.28Å; V133-N135 PolarHBondContact O-N 2.65Å; V133-R162 HydrophobicContact CG1-CG 4.22Å
134Y73.9Confident90.8Very high151 Ų15135.8 Ų35.859%0.59216%0.155SC*.SBendtrans5833.8177.8-52-72.9000114.9V160Y134-V160 VanDerWaalsContact CA-CG1 3.5Å; Y134-V160 HydrophobicContact CD1-CG1 3.69Å; Y134-V160 HydrophobicContact CG-CG1 4.24Å
135N74.2Confident90.8Very high10 Ų1037.5 Ų37.55%0.05316%0.163CC..  trans-124.6116.4-174.6-163.7-33.4000112.9K132 V133 Q137 N187 L189K132-N135 HydrophobicContact CB-CB 4.33Å; K132-N135 HydrophobicContact CD-CB 4.3Å; K132-N135 WeakPolarHBondContact CE-O 3.28Å; K132-N135 PolarHBondContact NZ-O 2.92Å; V133-N135 VanDerWaalsContact C-N 3.28Å; V133-N135 PolarHBondContact O-N 2.65Å; N135-Q137 VanDerWaalsContact C-N 3.34Å; N135-Q137 WeakPolarHBondContact OD1-CB 3.43Å; N135-Q137 PolarHBondContact OD1-N 3.16Å; N135-N187 PolarHBondContact ND2-O 2.77Å; N135-N187 PolarHBondContact ND2-OD1 2.92Å; N135-L189 PolarHBondContact ND2-O 2.64Å; N135-L189 VanDerWaalsContact ND2-O 3.17Å
136R80.4Confident90.6Very high182 Ų18239.5 Ų39.569%0.68717%0.173SC*.  trans-81.3-10.7-179.6-61.4-174.5-179.6-178.8-2113.9V160R136-V160 HydrophobicContact CG-CG2 3.87Å
137Q82.6Confident90.3Very high98 Ų9843.8 Ų43.846%0.45820%0.199SC..SBendtrans-79.3145.7179.3-63.1-167.7-11.500110.8K132 N135 V139 N187K132-Q137 PolarHBondContact NZ-O 3.4Å; K132-Q137 VanDerWaalsContact NZ-O 3.16Å; N135-Q137 VanDerWaalsContact C-N 3.34Å; N135-Q137 WeakPolarHBondContact OD1-CB 3.43Å; N135-Q137 PolarHBondContact OD1-N 3.16Å; Q137-V139 PolarHBondContact O-N 3.39Å; Q137-N187 PolarHBondContact OE1-ND2 2.84Å
138T87.3Confident90.2Very high32 Ų3246.6 Ų46.620%0.19621%0.21CC..PPolyproline II helixtrans-64.7123.3167.5-43.70000109.4A155 N156 G186T138-A155 WeakPolarHBondContact CA-O 3.32Å; T138-N156 WeakPolarHBondContact CB-OD1 3.12Å; T138-N156 HydrophobicContact CG2-CB 3.95Å; T138-N156 WeakPolarHBondContact CG2-OD1 3.33Å; T138-N156 PolarHBondContact OG1-OD1 2.76Å; T138-G186 WeakPolarHBondContact O-CA 3.18Å
139V89.8Confident90.1Very high1 Ų149.4 Ų49.41%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-102.4133.4175.4162.40000109.1K132 Q137 V141 F154 A155 L183 R185 N187 L188K132-V139 HydrophobicContact CD-CG2 4.22Å; Q137-V139 PolarHBondContact O-N 3.39Å; V139-V141 HydrophobicContact CG1-CG2 3.8Å; V139-F154 CarbonylContact O-C 3.58Å; V139-F154 VanDerWaalsContact O-CA 3.29Å; V139-F154 WeakPolarHBondContact O-CA 3.22Å; V139-A155 HydrophobicContact CB-CB 4.36Å; V139-A155 PolarHBondContact N-O 3.2Å; V139-A155 PolarHBondContact O-N 2.96Å; V139-L183 HydrophobicContact CB-CD1 4.49Å; V139-L183 HydrophobicContact CG1-CD1 3.56Å; V139-R185 WeakPolarHBondContact CA-O 3.27Å; V139-N187 VanDerWaalsContact CG2-O 3.31Å; V139-N187 WeakPolarHBondContact CG2-O 3.22Å; V139-L188 HydrophobicContact CG1-CD2 4.2Å; V139-L188 HydrophobicContact CG2-CD2 4.27Å
140Q93.3Very high90.1Very high42 Ų4249.5 Ų49.520%0.19623%0.232CC..EExtended strand (participates in β ladder)trans-118.8119169.2-178.5-177.1-1.400109.4A153 F154 R184 R185Q140-A153 WeakPolarHBondContact CA-O 3.44Å; Q140-F154 HydrophobicContact CB-CD1 3.8Å; Q140-F154 HydrophobicContact CB-CE1 3.69Å; Q140-F154 HydrophobicContact CG-CD1 3.87Å; Q140-F154 HydrophobicContact CG-CE1 3.39Å; Q140-F154 HydrophobicContact CG-CZ 3.8Å; Q140-R184 HydrophobicContact CB-CB 4.38Å; Q140-R184 HydrophobicContact CG-CB 4.13Å; Q140-R184 PolarHBondContact O-N 2.98Å; Q140-R185 HydrophobicContact CB-CB 3.72Å; Q140-R185 PolarHBondContact N-O 3.4Å
141V94.6Very high90.3Very high0 Ų051 Ų510%024%0.24CC..EExtended strand (participates in β ladder)trans-109.3128.9174.9179.80000108.9I96 F128 V130 V139 S152 A153 A165 L181 R182 L183I96-V141 HydrophobicContact CD1-CB 4.4Å; I96-V141 HydrophobicContact CD1-CG1 3.69Å; I96-V141 HydrophobicContact CD1-CG2 3.83Å; F128-V141 HydrophobicContact CD2-CG1 4.22Å; F128-V141 HydrophobicContact CE2-CB 4.08Å; F128-V141 HydrophobicContact CE2-CG1 3.79Å; F128-V141 HydrophobicContact CZ-CG1 4.3Å; V130-V141 HydrophobicContact CB-CG2 3.94Å; V130-V141 HydrophobicContact CG1-CG2 4Å; V130-V141 HydrophobicContact CG2-CG1 4Å; V130-V141 HydrophobicContact CG2-CG2 4.12Å; V139-V141 HydrophobicContact CG1-CG2 3.8Å; V141-S152 CarbonylContact O-C 3.6Å; V141-S152 VanDerWaalsContact O-CA 3.26Å; V141-S152 WeakPolarHBondContact O-CA 3.11Å; V141-A153 PolarHBondContact N-O 2.86Å; V141-A153 PolarHBondContact O-N 2.81Å; V141-A165 HydrophobicContact CB-CB 4.33Å; V141-A165 HydrophobicContact CG2-CB 4.13Å; V141-L181 HydrophobicContact CG1-CB 4.21Å; V141-R182 WeakPolarHBondContact CA-O 3.44Å; V141-L183 HydrophobicContact CG2-CD1 4.22Å
142S96.7Very high90.6Very high0 Ų052.3 Ų52.30%025%0.25CS..EExtended strand (participates in β ladder)trans-113.2135.6174.1-60.20000110.7I151 S152 L181 R182 R184S142-I151 CarbonylContact C-O 3.54Å; S142-I151 VanDerWaalsContact CA-O 3.26Å; S142-I151 WeakPolarHBondContact CA-O 3.3Å; S142-S152 PolarHBondContact OG-OG 2.92Å; S142-L181 WeakPolarHBondContact O-CA 3.34Å; S142-R182 PolarHBondContact N-O 2.96Å; S142-R182 PolarHBondContact O-N 3.21Å; S142-R184 VanDerWaalsContact OG-CG 3.24Å; S142-R184 WeakPolarHBondContact OG-CG 3.26Å
143L97.9Very high91.1Very high0 Ų052.6 Ų52.60%025%0.253CS..EExtended strand (participates in β ladder)trans-77.9123.1161.6-176148.3000107.8F126 F128 V150 I151 V169 L171 V179 L181 F197F126-L143 HydrophobicContact CB-CD1 3.64Å; F126-L143 HydrophobicContact CG-CD1 4.16Å; F128-L143 HydrophobicContact CD1-CB 4.4Å; F128-L143 HydrophobicContact CD1-CD1 4.35Å; F128-L143 HydrophobicContact CE1-CB 4.02Å; L143-V150 HydrophobicContact CD2-CB 4.14Å; L143-V150 HydrophobicContact CD2-CG2 4.27Å; L143-V150 PolarHBondContact O-N 3.03Å; L143-I151 HydrophobicContact CB-CD1 4.24Å; L143-I151 HydrophobicContact CB-CG1 3.68Å; L143-I151 PolarHBondContact N-O 3.13Å; L143-V169 HydrophobicContact CD1-CG1 4.23Å; L143-V169 HydrophobicContact CD2-CG1 4.28Å; L143-L171 HydrophobicContact CD2-CD1 3.87Å; L143-V179 HydrophobicContact CD1-CG1 3.97Å; L143-V179 HydrophobicContact CD2-CG1 3.71Å; L143-V179 HydrophobicContact CG-CG1 3.77Å; L143-L181 HydrophobicContact CB-CD2 3.93Å; L143-L181 HydrophobicContact CD1-CD2 4.31Å; L143-L181 HydrophobicContact CG-CD2 4.22Å; L143-F197 HydrophobicContact CD1-CE2 4.3Å
144M97.2Very high91.8Very high4 Ų457.8 Ų57.82%0.0228%0.275CS..EExtended strand (participates in β ladder)trans-103.8128.5-177.6-52-62.4-63.900108.6T147 W148 P149 V179 S180 R182M144-T147 WeakPolarHBondContact CE-O 3.3Å; M144-W148 CarbonylContact C-O 3.54Å; M144-W148 VanDerWaalsContact CA-O 3.3Å; M144-W148 WeakPolarHBondContact CA-O 3.15Å; M144-P149 HydrophobicContact CE-CB 4.24Å; M144-P149 HydrophobicContact SD-CB 3.86Å; M144-V179 VanDerWaalsContact O-CA 3.29Å; M144-V179 WeakPolarHBondContact O-CA 3.45Å; M144-S180 PolarHBondContact N-O 2.74Å; M144-S180 PolarHBondContact O-N 3.32Å; M144-R182 HydrophobicContact CG-CB 3.74Å; M144-R182 HydrophobicContact CG-CG 3.62Å; M144-R182 HydrophobicContact SD-CB 4.14Å; M144-R182 HydrophobicContact SD-CG 4.47Å
145L97.5Very high92.6Very high35 Ų3550.6 Ų50.618%0.18325%0.247CC..EExtended strand (participates in β ladder)trans-98.8115.1161.2174.857.5000107.3T147 W148 V150 L173 D177 R178 V179L145-T147 PolarHBondContact O-N 3.37Å; L145-W148 PolarHBondContact N-O 2.69Å; L145-W148 PolarHBondContact O-N 3.45Å; L145-V150 HydrophobicContact CB-CG2 3.52Å; L145-L173 HydrophobicContact CD1-CD2 3.47Å; L145-L173 VanDerWaalsContact CD1-CD2 3.47Å; L145-L173 HydrophobicContact CD2-CD2 4.2Å; L145-L173 HydrophobicContact CG-CD2 4.48Å; L145-D177 HydrophobicContact CD1-CB 3.94Å; L145-R178 CarbonylContact C-O 3.55Å; L145-V179 HydrophobicContact CD1-CG2 4.09Å
146N95.3Very high93.2Very high62 Ų6254.9 Ų54.933%0.33227%0.27SS..THydrogen-bonded Turntrans53.5-109.3-168.1-59.6-44.5000109.9D177 R178N146-D177 PolarHBondContact ND2-OD1 3.3Å; N146-R178 PolarHBondContact N-O 2.88Å; N146-R178 PolarHBondContact OD1-N 2.9Å
147T92.1Very high93.1Very high90 Ų9048.2 Ų48.255%0.55225%0.248SC*.THydrogen-bonded Turntrans-102.9-3.3177.853.50000113.7M144 L145M144-T147 WeakPolarHBondContact CE-O 3.3Å; L145-T147 PolarHBondContact O-N 3.37Å
148W95.3Very high92.4Very high190 Ų19048 Ų4872%0.7226%0.255SS*.EExtended strand (participates in β ladder)trans-104.5132.8-171-62109.8000112M144 L145M144-W148 CarbonylContact C-O 3.54Å; M144-W148 VanDerWaalsContact CA-O 3.3Å; M144-W148 WeakPolarHBondContact CA-O 3.15Å; L145-W148 PolarHBondContact N-O 2.69Å; L145-W148 PolarHBondContact O-N 3.45Å
149P96.1Very high91.5Very high59 Ų5951.5 Ų51.538%0.38327%0.272SS..EExtended strand (participates in β ladder)trans-72.4130.3174.931.4-34.2000110.3M144M144-P149 HydrophobicContact CE-CB 4.24Å; M144-P149 HydrophobicContact SD-CB 3.86Å
150V97.7Very high90.3Very high59 Ų5954.4 Ų54.436%0.35829%0.29SS..EExtended strand (participates in β ladder)trans-99-58.7177.1-179.20000110.5L143 L145 V169 L171L143-V150 HydrophobicContact CD2-CB 4.14Å; L143-V150 HydrophobicContact CD2-CG2 4.27Å; L143-V150 PolarHBondContact O-N 3.03Å; L145-V150 HydrophobicContact CB-CG2 3.52Å; V150-V169 HydrophobicContact CG1-CG2 4.34Å; V150-L171 HydrophobicContact CB-CD1 4.5Å; V150-L171 HydrophobicContact CG1-CD1 4.12Å; V150-L171 HydrophobicContact CG1-CD2 3.79Å; V150-L171 HydrophobicContact CG1-CG 4.42Å; V150-L171 HydrophobicContact CG2-CD1 4.17Å
151I98.1Very high89.3Confident34 Ų3454.9 Ų54.917%0.17430%0.296CS..EExtended strand (participates in β ladder)trans-127.7153.3178.154.8162.6000109.5F128 S142 L143 S167 V169F128-I151 HydrophobicContact CE1-CD1 3.87Å; F128-I151 HydrophobicContact CE1-CG1 4.35Å; S142-I151 CarbonylContact C-O 3.54Å; S142-I151 VanDerWaalsContact CA-O 3.26Å; S142-I151 WeakPolarHBondContact CA-O 3.3Å; L143-I151 HydrophobicContact CB-CD1 4.24Å; L143-I151 HydrophobicContact CB-CG1 3.68Å; L143-I151 PolarHBondContact N-O 3.13Å; I151-S167 WeakPolarHBondContact CD1-OG 3.31Å; I151-V169 HydrophobicContact CD1-CB 3.75Å; I151-V169 HydrophobicContact CD1-CG1 3.65Å; I151-V169 HydrophobicContact CG1-CB 4.28Å; I151-V169 HydrophobicContact CG1-CG1 4.02Å; I151-V169 HydrophobicContact CG2-CB 4.06Å; I151-V169 HydrophobicContact CG2-CG2 4.12Å
152S97.3Very high88.7Confident47 Ų4761.9 Ų61.933%0.32932%0.323SS..EExtended strand (participates in β ladder)trans-131.7148.4175.6-60.70000111V141 S142V141-S152 CarbonylContact O-C 3.6Å; V141-S152 VanDerWaalsContact O-CA 3.26Å; V141-S152 WeakPolarHBondContact O-CA 3.11Å; S142-S152 PolarHBondContact OG-OG 2.92Å
153A96.6Very high88.3Confident7 Ų764.5 Ų64.56%0.05834%0.335CS..EExtended strand (participates in β ladder)trans-127.5153.8171.400000109.9F128 Q140 V141 A165 T166F128-A153 HydrophobicContact CE2-CB 3.78Å; F128-A153 HydrophobicContact CZ-CB 3.77Å; Q140-A153 WeakPolarHBondContact CA-O 3.44Å; V141-A153 PolarHBondContact N-O 2.86Å; V141-A153 PolarHBondContact O-N 2.81Å; A153-A165 HydrophobicContact CB-CB 3.88Å; A153-T166 WeakPolarHBondContact CB-O 3.14Å
154F93.7Very high88Confident111 Ų11166.5 Ų66.549%0.48735%0.351SS..EExtended strand (participates in β ladder)trans-124147.9-177.5-61.4-92.7000110.4V139 Q140V139-F154 CarbonylContact O-C 3.58Å; V139-F154 VanDerWaalsContact O-CA 3.29Å; V139-F154 WeakPolarHBondContact O-CA 3.22Å; Q140-F154 HydrophobicContact CB-CD1 3.8Å; Q140-F154 HydrophobicContact CB-CE1 3.69Å; Q140-F154 HydrophobicContact CG-CD1 3.87Å; Q140-F154 HydrophobicContact CG-CE1 3.39Å; Q140-F154 HydrophobicContact CG-CZ 3.8Å
155A90.5Very high87.8Confident0 Ų066.3 Ų66.30%035%0.35CS..EExtended strand (participates in β ladder)trans-127.8108.9166.500000107.6K132 T138 V139 E163 A165K132-A155 HydrophobicContact CD-CB 3.95Å; K132-A155 HydrophobicContact CG-CB 4.29Å; T138-A155 WeakPolarHBondContact CA-O 3.32Å; V139-A155 HydrophobicContact CB-CB 4.36Å; V139-A155 PolarHBondContact N-O 3.2Å; V139-A155 PolarHBondContact O-N 2.96Å; A155-E163 VanDerWaalsContact C-CD 3.49Å; A155-E163 WeakPolarHBondContact CA-OE1 3.21Å; A155-E163 VanDerWaalsContact CA-OE2 3.22Å; A155-E163 WeakPolarHBondContact CA-OE2 3.18Å; A155-E163 HydrophobicContact CB-CB 4.27Å; A155-E163 HydrophobicContact CB-CG 3.97Å; A155-E163 WeakPolarHBondContact CB-OE2 3.08Å; A155-A165 HydrophobicContact CB-CB 4.2Å
156N86.9Confident87.8Confident99 Ų9967.8 Ų67.853%0.52936%0.361SS..  trans-125.134.9-169.9-166.742.4000114.7T138 P158 E163T138-N156 WeakPolarHBondContact CB-OD1 3.12Å; T138-N156 HydrophobicContact CG2-CB 3.95Å; T138-N156 WeakPolarHBondContact CG2-OD1 3.33Å; T138-N156 PolarHBondContact OG1-OD1 2.76Å; N156-P158 VanDerWaalsContact O-CD 3.31Å; N156-P158 WeakPolarHBondContact O-CD 3.05Å; N156-E163 PolarHBondContact N-OE1 2.97Å; N156-E163 PolarHBondContact N-OE2 2.83Å
157D79.2Confident87.9Confident43 Ų4366.4 Ų66.423%0.2336%0.356CS..  trans-75.7118.6172.3-162.6-30.7000109K132 D159 T161 E163K132-D157 PolarHBondContact NZ-O 2.82Å; D157-D159 VanDerWaalsContact C-N 3.26Å; D157-D159 WeakPolarHBondContact OD1-CB 3.37Å; D157-D159 PolarHBondContact OD1-N 2.92Å; D157-T161 PolarHBondContact OD2-OG1 2.85Å; D157-E163 HydrophobicContact CB-CB 4.22Å; D157-E163 HydrophobicContact CB-CG 4.38Å; D157-E163 VanDerWaalsContact CB-OE2 3.28Å; D157-E163 WeakPolarHBondContact CB-OE2 3.25Å; D157-E163 PolarHBondContact N-OE2 2.95Å
158P66.6Low88.2Confident92 Ų9265 Ų6560%0.59735%0.35SS*.  trans-73.7-18177.131.4-35.7000112.8N156N156-P158 VanDerWaalsContact O-CD 3.31Å; N156-P158 WeakPolarHBondContact O-CD 3.05Å
159D69.9Low88.3Confident106 Ų10657.3 Ų57.357%0.56732%0.324SS*.SBendtrans-84.9163.6177.5-67.4-38.7000111.4D157 T161D157-D159 VanDerWaalsContact C-N 3.26Å; D157-D159 WeakPolarHBondContact OD1-CB 3.37Å; D157-D159 PolarHBondContact OD1-N 2.92Å; D159-T161 HydrophobicContact CB-CG2 3.86Å; D159-T161 PolarHBondContact O-N 2.92Å
160V63.9Low88.4Confident62 Ų6259.1 Ų59.138%0.37633%0.33SS..SBendtrans-82.853.2-179.2-164.80000110.2Y134 R136Y134-V160 VanDerWaalsContact CA-CG1 3.5Å; Y134-V160 HydrophobicContact CD1-CG1 3.69Å; Y134-V160 HydrophobicContact CG-CG1 4.24Å; R136-V160 HydrophobicContact CG-CG2 3.87Å
161T73.4Confident88.4Confident53 Ų5357.1 Ų57.133%0.32532%0.317SS..SBendtrans-102.9-179.1-177.862.30000110.3D157 D159D157-T161 PolarHBondContact OD2-OG1 2.85Å; D159-T161 HydrophobicContact CB-CG2 3.86Å; D159-T161 PolarHBondContact O-N 2.92Å
162R80.1Confident88.4Confident147 Ų14759.7 Ų59.756%0.55534%0.336SS*.EExtended strand (participates in β ladder)trans-97.9126.5172-66.1-179.5179.9172.10.4108.5V133V133-R162 HydrophobicContact CG1-CG 4.22Å
163E88.9Confident88.4Confident54 Ų5457.7 Ų57.725%0.25232%0.321SS..EExtended strand (participates in β ladder)trans-138.7150.6178-166.4-168.6-17500109.6V131 K132 A155 N156 D157V131-E163 WeakPolarHBondContact CA-O 3.41Å; K132-E163 WeakPolarHBondContact CE-OE2 3.42Å; K132-E163 HydrophobicContact CG-CB 4.26Å; K132-E163 PolarHBondContact N-O 3.03Å; K132-E163 IonicContact NZ-OE2 3.88Å; K132-E163 PolarHBondContact NZ-OE2 3.21Å; K132-E163 PolarHBondContact O-N 2.83Å; A155-E163 VanDerWaalsContact C-CD 3.49Å; A155-E163 WeakPolarHBondContact CA-OE1 3.21Å; A155-E163 VanDerWaalsContact CA-OE2 3.22Å; A155-E163 WeakPolarHBondContact CA-OE2 3.18Å; A155-E163 HydrophobicContact CB-CB 4.27Å; A155-E163 HydrophobicContact CB-CG 3.97Å; A155-E163 WeakPolarHBondContact CB-OE2 3.08Å; N156-E163 PolarHBondContact N-OE1 2.97Å; N156-E163 PolarHBondContact N-OE2 2.83Å; D157-E163 HydrophobicContact CB-CB 4.22Å; D157-E163 HydrophobicContact CB-CG 4.38Å; D157-E163 VanDerWaalsContact CB-OE2 3.28Å; D157-E163 WeakPolarHBondContact CB-OE2 3.25Å; D157-E163 PolarHBondContact N-OE2 2.95Å
164A91.3Very high88.5Confident42 Ų4261.4 Ų61.435%0.34734%0.34SS..EExtended strand (participates in β ladder)trans-122.2123.7-176.600000112V130 V131 T166V130-A164 CarbonylContact O-C 3.44Å; V130-A164 VanDerWaalsContact O-CA 3.3Å; V130-A164 WeakPolarHBondContact O-CA 3.3Å; V131-A164 HydrophobicContact CG2-CB 4.13Å; A164-T166 PolarHBondContact O-N 2.67Å
165A94.5Very high88.6Confident0 Ų060 Ų600%034%0.343CS..EExtended strand (participates in β ladder)trans-76.6107.6164.500000108.2V130 V141 A153 A155V130-A165 PolarHBondContact N-O 2.74Å; V130-A165 PolarHBondContact O-N 2.92Å; V141-A165 HydrophobicContact CB-CB 4.33Å; V141-A165 HydrophobicContact CG2-CB 4.13Å; A153-A165 HydrophobicContact CB-CB 3.88Å; A155-A165 HydrophobicContact CB-CB 4.2Å
166T96.8Very high88.9Confident67 Ų6762.5 Ų62.541%0.41137%0.368SS..EExtended strand (participates in β ladder)trans-121133.9-174-620000111.2F128 H129 A153 A164F128-T166 WeakPolarHBondContact O-CA 3.31Å; H129-T166 WeakPolarHBondContact CE1-CG2 3.31Å; H129-T166 WeakPolarHBondContact ND1-CG2 2.9Å; H129-T166 PolarHBondContact ND1-OG1 2.86Å; A153-T166 WeakPolarHBondContact CB-O 3.14Å; A164-T166 PolarHBondContact O-N 2.67Å
167S98Very high89.5Confident32 Ų3259.3 Ų59.322%0.22435%0.351CS..EExtended strand (participates in β ladder)trans-159.9168.5168-168.60000111.4F128 I151F128-S167 PolarHBondContact N-O 2.87Å; F128-S167 PolarHBondContact O-N 3.12Å; I151-S167 WeakPolarHBondContact CD1-OG 3.31Å
168S97.5Very high90.3Very high60 Ų6062.3 Ų62.342%0.4236%0.359SS..EExtended strand (participates in β ladder)trans-150.1152.7178.153.10000111.5F126F126-S168 CarbonylContact O-C 3.56Å; F126-S168 WeakPolarHBondContact O-CA 3.23Å; F126-S168 WeakPolarHBondContact O-CB 3.4Å
169V98.3Very high91.8Very high29 Ų2957.9 Ų57.918%0.17633%0.33CS..EExtended strand (participates in β ladder)trans-152.9151-178.664.40000111.2F126 L143 V150 I151 L171F126-V169 HydrophobicContact CB-CG1 4.42Å; F126-V169 PolarHBondContact N-O 2.92Å; F126-V169 PolarHBondContact O-N 3.44Å; L143-V169 HydrophobicContact CD1-CG1 4.23Å; L143-V169 HydrophobicContact CD2-CG1 4.28Å; V150-V169 HydrophobicContact CG1-CG2 4.34Å; I151-V169 HydrophobicContact CD1-CB 3.75Å; I151-V169 HydrophobicContact CD1-CG1 3.65Å; I151-V169 HydrophobicContact CG1-CB 4.28Å; I151-V169 HydrophobicContact CG1-CG1 4.02Å; I151-V169 HydrophobicContact CG2-CB 4.06Å; I151-V169 HydrophobicContact CG2-CG2 4.12Å; V169-L171 HydrophobicContact CG1-CD1 3.9Å; V169-L171 HydrophobicContact CG1-CG 3.94Å; V169-L171 HydrophobicContact CG2-CD2 4.13Å; V169-L171 HydrophobicContact CG2-CG 4.05Å
170L97.9Very high93.1Very high97 Ų9753.1 Ų53.151%0.50831%0.305SS..EExtended strand (participates in β ladder)trans-98.6129.4165.2-59.1-173.7000109.5V123 Y124 I202V123-L170 HydrophobicContact CG1-CB 4.43Å; Y124-L170 CarbonylContact O-C 3.59Å; Y124-L170 VanDerWaalsContact O-CA 3.28Å; Y124-L170 WeakPolarHBondContact O-CA 3.38Å; L170-I202 HydrophobicContact CD1-CD1 4.09Å; L170-I202 HydrophobicContact CD2-CD1 3.47Å; L170-I202 VanDerWaalsContact CD2-CD1 3.47Å; L170-I202 HydrophobicContact CG-CD1 4.36Å
171L96.9Very high94.6Very high18 Ų1850.2 Ų50.29%0.09429%0.288CS..EExtended strand (participates in β ladder)trans-132.4128.8-177.1-74.1176.1000111.5Y124 F126 L143 V150 V169 L173Y124-L171 PolarHBondContact N-O 3.21Å; Y124-L171 PolarHBondContact O-N 2.87Å; F126-L171 HydrophobicContact CD2-CD1 4.33Å; F126-L171 HydrophobicContact CE2-CB 4.36Å; L143-L171 HydrophobicContact CD2-CD1 3.87Å; V150-L171 HydrophobicContact CB-CD1 4.5Å; V150-L171 HydrophobicContact CG1-CD1 4.12Å; V150-L171 HydrophobicContact CG1-CD2 3.79Å; V150-L171 HydrophobicContact CG1-CG 4.42Å; V150-L171 HydrophobicContact CG2-CD1 4.17Å; V169-L171 HydrophobicContact CG1-CD1 3.9Å; V169-L171 HydrophobicContact CG1-CG 3.94Å; V169-L171 HydrophobicContact CG2-CD2 4.13Å; V169-L171 HydrophobicContact CG2-CG 4.05Å; L171-L173 HydrophobicContact CB-CD2 4.18Å; L171-L173 HydrophobicContact CB-CG 4.47Å
172P97.8Very high95.6Very high88 Ų8851.9 Ų51.957%0.57129%0.288SS*.EExtended strand (participates in β ladder)trans-69.5131.3161.630.8-31.3000108.6G122G122-P172 WeakPolarHBondContact O-CA 3.31Å
173L98.1Very high96.1Very high4 Ų445.8 Ų45.82%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-126.9142.2176.9-59-178.4000110.2F116 A118 R121 G122 Y124 F126 L145 L171 D177 V179F116-L173 HydrophobicContact CD1-CD1 4.47Å; F116-L173 HydrophobicContact CE1-CD1 4.12Å; A118-L173 HydrophobicContact CB-CB 3.83Å; A118-L173 HydrophobicContact CB-CD1 3.99Å; R121-L173 WeakPolarHBondContact CA-O 3.27Å; G122-L173 PolarHBondContact N-O 2.76Å; G122-L173 VanDerWaalsContact N-O 3.11Å; G122-L173 PolarHBondContact O-N 3.17Å; Y124-L173 HydrophobicContact CD2-CB 3.76Å; Y124-L173 HydrophobicContact CD2-CD1 3.66Å; Y124-L173 HydrophobicContact CD2-CG 3.77Å; Y124-L173 HydrophobicContact CE2-CB 3.85Å; Y124-L173 HydrophobicContact CE2-CD1 4.16Å; Y124-L173 HydrophobicContact CE2-CG 4.33Å; Y124-L173 HydrophobicContact CG-CD1 3.91Å; Y124-L173 HydrophobicContact CG-CG 4.41Å; F126-L173 HydrophobicContact CE2-CD1 3.76Å; F126-L173 HydrophobicContact CZ-CD1 3.62Å; L145-L173 HydrophobicContact CD1-CD2 3.47Å; L145-L173 VanDerWaalsContact CD1-CD2 3.47Å; L145-L173 HydrophobicContact CD2-CD2 4.2Å; L145-L173 HydrophobicContact CG-CD2 4.48Å; L171-L173 HydrophobicContact CB-CD2 4.18Å; L171-L173 HydrophobicContact CB-CG 4.47Å; L173-D177 HydrophobicContact CB-CB 4.25Å; L173-D177 HydrophobicContact CD2-CB 4.13Å; L173-V179 HydrophobicContact CD1-CG2 3.82Å; L173-V179 HydrophobicContact CD2-CG2 4.12Å
174D97.9Very high96.1Very high85 Ų8549.6 Ų49.646%0.45528%0.278SS..  trans-93.3155.4167.5-71.7-48.7000110.5R121 G176 D177R121-D174 WeakPolarHBondContact CD-OD1 3.45Å; R121-D174 WeakPolarHBondContact CG-OD1 3.45Å; R121-D174 IonicContact CZ-OD1 3.4Å; R121-D174 IonicContact NE-OD1 2.75Å; R121-D174 PolarHBondContact NE-OD1 3.44Å; D174-G176 PolarHBondContact O-N 2.87Å; D174-D177 PolarHBondContact N-OD2 3.29Å; D174-D177 WeakPolarHBondContact O-CB 3.26Å; D174-D177 PolarHBondContact O-N 2.86Å
175P96.9Very high96Very high83 Ų8354.9 Ų54.954%0.53929%0.289SS..THydrogen-bonded Turntrans-55128.3178.2-23.633000111.5A118 R121A118-P175 WeakPolarHBondContact O-CA 3.34Å; R121-P175 HydrophobicContact CB-CG 4.24Å
176G96.8Very high95.6Very high51 Ų5155.9 Ų55.953%0.52630%0.3SS..THydrogen-bonded Turntrans93.7-10.3-177.400000115.3A118 D174 R178A118-G176 PolarHBondContact O-N 2.86Å; D174-G176 PolarHBondContact O-N 2.87Å; G176-R178 PolarHBondContact O-N 3.23Å
177D98.3Very high95.1Very high33 Ų3353.5 Ų53.518%0.17629%0.285CS..  trans-60.7136.9171.3-87.1-31000111.1V117 A118 L145 N146 L173 D174V117-D177 WeakPolarHBondContact CA-O 3.4Å; A118-D177 PolarHBondContact N-O 2.87Å; L145-D177 HydrophobicContact CD1-CB 3.94Å; N146-D177 PolarHBondContact ND2-OD1 3.3Å; L173-D177 HydrophobicContact CB-CB 4.25Å; L173-D177 HydrophobicContact CD2-CB 4.13Å; D174-D177 PolarHBondContact N-OD2 3.29Å; D174-D177 WeakPolarHBondContact O-CB 3.26Å; D174-D177 PolarHBondContact O-N 2.86Å
178R97.6Very high94.4Very high105 Ų10552 Ų5240%0.39627%0.274SS..EExtended strand (participates in β ladder)trans-107.6124.9-176.6-172.9178.2-61.4-85.9-3.3111.6S115 F116 V117 L145 N146 G176S115-R178 PolarHBondContact OG-NH1 2.83Å; F116-R178 CarbonylContact O-C 3.55Å; F116-R178 VanDerWaalsContact O-CA 3.27Å; F116-R178 WeakPolarHBondContact O-CA 3.29Å; V117-R178 HydrophobicContact CG2-CG 4.46Å; L145-R178 CarbonylContact C-O 3.55Å; N146-R178 PolarHBondContact N-O 2.88Å; N146-R178 PolarHBondContact OD1-N 2.9Å; G176-R178 PolarHBondContact O-N 3.23Å
179V97.9Very high93.5Very high0 Ų052.8 Ų52.80%027%0.273CS..EExtended strand (participates in β ladder)trans-110.1128.7173-174.60000110.4S115 F116 F126 L143 M144 L145 L173 F197S115-V179 CarbonylContact C-O 3.53Å; S115-V179 WeakPolarHBondContact CA-O 3.27Å; F116-V179 HydrophobicContact CB-CB 4.43Å; F116-V179 HydrophobicContact CD1-CB 4.47Å; F116-V179 PolarHBondContact N-O 3.16Å; F116-V179 PolarHBondContact O-N 3.29Å; F126-V179 HydrophobicContact CD1-CG1 4.08Å; F126-V179 HydrophobicContact CE1-CB 4.02Å; F126-V179 HydrophobicContact CE1-CG1 3.97Å; F126-V179 HydrophobicContact CE1-CG2 4.2Å; F126-V179 HydrophobicContact CE2-CG1 4.43Å; F126-V179 HydrophobicContact CE2-CG2 3.99Å; F126-V179 HydrophobicContact CG-CG1 4.35Å; F126-V179 HydrophobicContact CZ-CB 4.03Å; F126-V179 HydrophobicContact CZ-CG1 4.17Å; F126-V179 HydrophobicContact CZ-CG2 3.68Å; L143-V179 HydrophobicContact CD1-CG1 3.97Å; L143-V179 HydrophobicContact CD2-CG1 3.71Å; L143-V179 HydrophobicContact CG-CG1 3.77Å; M144-V179 VanDerWaalsContact O-CA 3.29Å; M144-V179 WeakPolarHBondContact O-CA 3.45Å; L145-V179 HydrophobicContact CD1-CG2 4.09Å; L173-V179 HydrophobicContact CD1-CG2 3.82Å; L173-V179 HydrophobicContact CD2-CG2 4.12Å; V179-F197 HydrophobicContact CG1-CZ 4.1Å
180S96.4Very high92.6Very high6 Ų652.6 Ų52.64%0.04228%0.276CS..EExtended strand (participates in β ladder)trans-146.4164.617962.40000111.5M144M144-S180 PolarHBondContact N-O 2.74Å; M144-S180 PolarHBondContact O-N 3.32Å
181L95.9Very high91.9Very high0 Ų048 Ų480%025%0.252CS..EExtended strand (participates in β ladder)trans-101.6135.5171.7-58.4-178000109.7A95 I96 F98 F128 V130 V141 S142 L143 F197A95-L181 CarbonylContact C-O 3.59Å; A95-L181 VanDerWaalsContact CA-O 3.27Å; A95-L181 WeakPolarHBondContact CA-O 3.33Å; I96-L181 HydrophobicContact CB-CB 4.16Å; I96-L181 HydrophobicContact CD1-CB 4.23Å; I96-L181 HydrophobicContact CG1-CB 4.44Å; I96-L181 PolarHBondContact N-O 3.15Å; F98-L181 HydrophobicContact CE2-CD1 4.14Å; F98-L181 HydrophobicContact CZ-CD1 3.86Å; F128-L181 HydrophobicContact CB-CD1 3.52Å; F128-L181 HydrophobicContact CB-CD2 4.02Å; F128-L181 HydrophobicContact CB-CG 4.4Å; F128-L181 HydrophobicContact CD1-CD2 3.62Å; F128-L181 HydrophobicContact CD2-CD1 4.23Å; F128-L181 HydrophobicContact CD2-CD2 4.39Å; F128-L181 HydrophobicContact CE1-CD2 4.13Å; F128-L181 HydrophobicContact CG-CD1 3.89Å; F128-L181 HydrophobicContact CG-CD2 3.76Å; V130-L181 HydrophobicContact CG2-CD1 4.15Å; V141-L181 HydrophobicContact CG1-CB 4.21Å; S142-L181 WeakPolarHBondContact O-CA 3.34Å; L143-L181 HydrophobicContact CB-CD2 3.93Å; L143-L181 HydrophobicContact CD1-CD2 4.31Å; L143-L181 HydrophobicContact CG-CD2 4.22Å; L181-F197 HydrophobicContact CD1-CB 3.98Å; L181-F197 HydrophobicContact CD1-CD1 4.29Å; L181-F197 HydrophobicContact CD1-CD2 4.07Å; L181-F197 HydrophobicContact CD1-CG 3.87Å; L181-F197 HydrophobicContact CD2-CD2 4.36Å; L181-F197 HydrophobicContact CD2-CE2 4.23Å; L181-F197 HydrophobicContact CG-CD1 4.21Å; L181-F197 HydrophobicContact CG-CD2 4.22Å; L181-F197 HydrophobicContact CG-CE1 4.36Å; L181-F197 HydrophobicContact CG-CE2 4.37Å; L181-F197 HydrophobicContact CG-CG 4.16Å; L181-F197 HydrophobicContact CG-CZ 4.44Å
182R93.1Very high91.6Very high88 Ų8847.1 Ų47.133%0.33225%0.248SC..EExtended strand (participates in β ladder)trans-125.6140.1174.3-75.1-169.5-178.2-176-4.7111.6V141 S142 M144 R184V141-R182 WeakPolarHBondContact CA-O 3.44Å; S142-R182 PolarHBondContact N-O 2.96Å; S142-R182 PolarHBondContact O-N 3.21Å; M144-R182 HydrophobicContact CG-CB 3.74Å; M144-R182 HydrophobicContact CG-CG 3.62Å; M144-R182 HydrophobicContact SD-CB 4.14Å; M144-R182 HydrophobicContact SD-CG 4.47Å; R182-R184 PolarHBondContact O-N 2.68Å
183L91.2Very high91.2Very high20 Ų2045.6 Ų45.611%0.10523%0.232CC..EExtended strand (participates in β ladder)trans-80.6111.1169.4-171.166.8000108.8I96 V139 V141 R185 G186 L188I96-L183 HydrophobicContact CD1-CB 4.46Å; I96-L183 HydrophobicContact CG1-CB 4.45Å; V139-L183 HydrophobicContact CB-CD1 4.49Å; V139-L183 HydrophobicContact CG1-CD1 3.56Å; V141-L183 HydrophobicContact CG2-CD1 4.22Å; L183-R185 WeakPolarHBondContact CD1-O 3.47Å; L183-G186 WeakPolarHBondContact CD2-O 3.24Å; L183-L188 HydrophobicContact CD1-CG 4.31Å; L183-L188 HydrophobicContact CD2-CG 4.06Å
184R89.9Confident90.9Very high134 Ų13451.5 Ų51.551%0.50626%0.255SS..EExtended strand (participates in β ladder)trans-92.8-27.8-178-70.1-63.2-62.3-83.3-0.7113.2Q140 S142 R182Q140-R184 HydrophobicContact CB-CB 4.38Å; Q140-R184 HydrophobicContact CG-CB 4.13Å; Q140-R184 PolarHBondContact O-N 2.98Å; S142-R184 VanDerWaalsContact OG-CG 3.24Å; S142-R184 WeakPolarHBondContact OG-CG 3.26Å; R182-R184 PolarHBondContact O-N 2.68Å
185R87.9Confident90.8Very high153 Ų15347.4 Ų47.458%0.57723%0.233SC*.EExtended strand (participates in β ladder)trans-146.9144.8179.4-171.9178171.1-179.3-3.5109.7V139 Q140 L183V139-R185 WeakPolarHBondContact CA-O 3.27Å; Q140-R185 HydrophobicContact CB-CB 3.72Å; Q140-R185 PolarHBondContact N-O 3.4Å; L183-R185 WeakPolarHBondContact CD1-O 3.47Å
186G87Confident90.8Very high21 Ų2145 Ų4522%0.21622%0.218CC..SBendtrans83.2-165.4-18000000112.5T138 L183T138-G186 WeakPolarHBondContact O-CA 3.18Å; L183-G186 WeakPolarHBondContact CD2-O 3.24Å
187N85Confident90.8Very high17 Ų1742.5 Ų42.59%0.09119%0.193CC..  trans-136.4164.717561.957.9000110G89 N135 Q137 V139 L189G89-N187 VanDerWaalsContact O-CB 3.27Å; G89-N187 WeakPolarHBondContact O-CB 3.47Å; N135-N187 PolarHBondContact ND2-O 2.77Å; N135-N187 PolarHBondContact ND2-OD1 2.92Å; Q137-N187 PolarHBondContact OE1-ND2 2.84Å; V139-N187 VanDerWaalsContact CG2-O 3.31Å; V139-N187 WeakPolarHBondContact CG2-O 3.22Å; N187-L189 HydrophobicContact CB-CD1 4.34Å; N187-L189 HydrophobicContact CB-CG 3.97Å; N187-L189 VanDerWaalsContact CG-CG 3.49Å; N187-L189 VanDerWaalsContact OD1-CB 3.3Å; N187-L189 WeakPolarHBondContact OD1-CB 3.41Å; N187-L189 VanDerWaalsContact OD1-CG 3.25Å; N187-L189 WeakPolarHBondContact OD1-CG 3.39Å; N187-L189 PolarHBondContact OD1-N 2.93Å
188L84.1Confident90.8Very high1 Ų142.9 Ų42.91%0.00520%0.198CC..  trans-109.135.2172.1-62.9171.5000110.8I96 V130 K132 V139 L183 G191 W192I96-L188 HydrophobicContact CD1-CD1 4.17Å; I96-L188 HydrophobicContact CG1-CD1 4.3Å; I96-L188 HydrophobicContact CG2-CD1 4.41Å; V130-L188 HydrophobicContact CG1-CD1 4.14Å; V130-L188 HydrophobicContact CG1-CD2 4.01Å; K132-L188 HydrophobicContact CB-CD2 4.48Å; V139-L188 HydrophobicContact CG1-CD2 4.2Å; V139-L188 HydrophobicContact CG2-CD2 4.27Å; L183-L188 HydrophobicContact CD1-CG 4.31Å; L183-L188 HydrophobicContact CD2-CG 4.06Å; L188-G191 PolarHBondContact O-N 2.87Å; L188-G191 VanDerWaalsContact O-N 3.13Å; L188-W192 HydrophobicContact CB-CB 4.45Å; L188-W192 HydrophobicContact CB-CD2 4.23Å; L188-W192 HydrophobicContact CB-CE3 3.5Å; L188-W192 VanDerWaalsContact CB-CE3 3.5Å; L188-W192 HydrophobicContact CB-CZ3 4.07Å; L188-W192 HydrophobicContact CD1-CB 4.15Å; L188-W192 HydrophobicContact CD1-CD2 3.91Å; L188-W192 HydrophobicContact CD1-CE3 3.98Å; L188-W192 HydrophobicContact CD1-CG 3.99Å; L188-W192 HydrophobicContact CD2-CB 4.32Å; L188-W192 HydrophobicContact CG-CE3 4.37Å
189L79.9Confident90.8Very high76 Ų7638 Ų3840%0.39818%0.181SC..THydrogen-bonded Turntrans-61.2141170.3-59173.6000108.8E83 G89 N135 N187 G191E83-L189 WeakPolarHBondContact OE2-CA 3.3Å; G89-L189 WeakPolarHBondContact O-CD2 3.42Å; N135-L189 PolarHBondContact ND2-O 2.64Å; N135-L189 VanDerWaalsContact ND2-O 3.17Å; N187-L189 HydrophobicContact CB-CD1 4.34Å; N187-L189 HydrophobicContact CB-CG 3.97Å; N187-L189 VanDerWaalsContact CG-CG 3.49Å; N187-L189 VanDerWaalsContact OD1-CB 3.3Å; N187-L189 WeakPolarHBondContact OD1-CB 3.41Å; N187-L189 VanDerWaalsContact OD1-CG 3.25Å; N187-L189 WeakPolarHBondContact OD1-CG 3.39Å; N187-L189 PolarHBondContact OD1-N 2.93Å; L189-G191 VanDerWaalsContact C-N 3.35Å
190G79.3Confident90.8Very high24 Ų2441.3 Ų41.325%0.24720%0.196CC..THydrogen-bonded Turntrans92.9-6.3-166.700000113.7E83E83-G190 WeakPolarHBondContact OE1-CA 3.37Å; E83-G190 PolarHBondContact OE1-N 2.82Å; E83-G190 PolarHBondContact OE2-N 2.92Å
191G83.1Confident90.8Very high0 Ų041.6 Ų41.60%020%0.196CC..  trans78.4161.3-17600000113.6E83 L188 L189E83-G191 PolarHBondContact OE1-N 2.55Å; L188-G191 PolarHBondContact O-N 2.87Å; L188-G191 VanDerWaalsContact O-N 3.13Å; L189-G191 VanDerWaalsContact C-N 3.35Å
192W89.6Confident90.8Very high0 Ų042.7 Ų42.70%020%0.202CC..  trans-122.138.4-178.761.4100.4000112.6R78 P84 Y97 V131 L188 S195R78-W192 WeakPolarHBondContact CB-O 3.34Å; R78-W192 VanDerWaalsContact CD-NE1 3.33Å; R78-W192 HydrophobicContact CG-CD2 4.43Å; R78-W192 HydrophobicContact CG-CG 4.05Å; R78-W192 VanDerWaalsContact CG-O 3.31Å; R78-W192 WeakPolarHBondContact CG-O 3.29Å; P84-W192 HydrophobicContact CB-CH2 3.79Å; P84-W192 HydrophobicContact CB-CZ3 4.08Å; P84-W192 HydrophobicContact CG-CH2 4.05Å; P84-W192 HydrophobicContact CG-CZ3 3.79Å; Y97-W192 HydrophobicContact CD1-CH2 4.18Å; Y97-W192 AromaticContact CD1-CZ2 3.72Å; Y97-W192 HydrophobicContact CD1-CZ2 3.72Å; Y97-W192 AromaticContact CE1-CH2 3.45Å; Y97-W192 HydrophobicContact CE1-CH2 3.45Å; Y97-W192 VanDerWaalsContact CE1-CH2 3.45Å; Y97-W192 AromaticContact CE1-CZ2 3.35Å; Y97-W192 HydrophobicContact CE1-CZ2 3.35Å; Y97-W192 HydrophobicContact CE2-CZ2 4.47Å; Y97-W192 HydrophobicContact CG-CZ2 4.39Å; Y97-W192 AromaticContact CZ-CH2 3.9Å; Y97-W192 AromaticContact CZ-CZ2 3.74Å; Y97-W192 PolarHBondContact O-NE1 3.22Å; V131-W192 WeakPolarHBondContact O-CA 3.44Å; V131-W192 WeakPolarHBondContact O-CB 3.29Å; L188-W192 HydrophobicContact CB-CB 4.45Å; L188-W192 HydrophobicContact CB-CD2 4.23Å; L188-W192 HydrophobicContact CB-CE3 3.5Å; L188-W192 VanDerWaalsContact CB-CE3 3.5Å; L188-W192 HydrophobicContact CB-CZ3 4.07Å; L188-W192 HydrophobicContact CD1-CB 4.15Å; L188-W192 HydrophobicContact CD1-CD2 3.91Å; L188-W192 HydrophobicContact CD1-CE3 3.98Å; L188-W192 HydrophobicContact CD1-CG 3.99Å; L188-W192 HydrophobicContact CD2-CB 4.32Å; L188-W192 HydrophobicContact CG-CE3 4.37Å; W192-S195 VanDerWaalsContact O-CB 3.22Å; W192-S195 WeakPolarHBondContact O-CB 3.33Å; W192-S195 PolarHBondContact O-N 2.82Å; W192-S195 VanDerWaalsContact O-N 3.16Å; W192-S195 PolarHBondContact O-OG 2.88Å
193K90.1Very high90.7Very high56 Ų5643.3 Ų43.324%0.24321%0.207CC..THydrogen-bonded Turntrans-52.9147175.2-170.9179.5177.7-1800110.2S79 H81 S195S79-K193 WeakPolarHBondContact O-CE 3.43Å; H81-K193 WeakPolarHBondContact CD2-CD 3.4Å; H81-K193 VanDerWaalsContact NE2-CD 3.31Å; H81-K193 WeakPolarHBondContact NE2-CD 3.44Å; K193-S195 PolarHBondContact O-N 2.97Å
194Y91.8Very high90.8Very high128 Ų12846.3 Ų46.350%0.50223%0.228SC..THydrogen-bonded Turntrans74.91.3-175.4-46-71.8000114.6R78R78-Y194 PolarHBondContact O-N 2.81Å
195S94.4Very high90.8Very high0 Ų046.1 Ų46.10%024%0.236CC..  trans-66.3144.6168.2-580000110.9V77 R78 H129 V130 V131 W192 K193V77-S195 CarbonylContact C-O 3.43Å; V77-S195 VanDerWaalsContact CA-O 3.28Å; V77-S195 WeakPolarHBondContact CA-O 3.24Å; R78-S195 PolarHBondContact N-O 2.97Å; H129-S195 CarbonylContact O-C 3.52Å; H129-S195 WeakPolarHBondContact O-CA 3.33Å; H129-S195 WeakPolarHBondContact O-CB 3.06Å; V130-S195 WeakPolarHBondContact CA-OG 3.22Å; V131-S195 PolarHBondContact N-OG 3.39Å; W192-S195 VanDerWaalsContact O-CB 3.22Å; W192-S195 WeakPolarHBondContact O-CB 3.33Å; W192-S195 PolarHBondContact O-N 2.82Å; W192-S195 VanDerWaalsContact O-N 3.16Å; W192-S195 PolarHBondContact O-OG 2.88Å; K193-S195 PolarHBondContact O-N 2.97Å
196S96.9Very high90.9Very high31 Ų3140.8 Ų40.822%0.21722%0.219CC..EExtended strand (participates in β ladder)trans-136.4143.9178.7630000111.2A76 F128 H129A76-S196 CarbonylContact O-C 3.41Å; A76-S196 WeakPolarHBondContact O-CA 3.38Å; F128-S196 CarbonylContact C-O 3.51Å; F128-S196 WeakPolarHBondContact CA-O 3.28Å; H129-S196 PolarHBondContact CD2-OG 3.05Å; H129-S196 PolarHBondContact N-O 3Å; H129-S196 PolarHBondContact O-N 2.87Å
197F98Very high91.1Very high0 Ų041.8 Ų41.80%022%0.219CC..EExtended strand (participates in β ladder)trans-136.6125.6170.9178.3-145.2000109.2F74 A76 F98 F109 F126 F128 L143 V179 L181F74-F197 AromaticContact CE2-CD1 3.71Å; F74-F197 HydrophobicContact CE2-CD1 3.71Å; F74-F197 HydrophobicContact CE2-CD2 4.23Å; F74-F197 AromaticContact CE2-CE1 3.75Å; F74-F197 HydrophobicContact CE2-CE1 3.75Å; F74-F197 HydrophobicContact CE2-CE2 4.27Å; F74-F197 AromaticContact CE2-CG 3.95Å; F74-F197 HydrophobicContact CE2-CG 3.95Å; F74-F197 HydrophobicContact CE2-CZ 4.03Å; F74-F197 HydrophobicContact CZ-CD1 4.16Å; F74-F197 HydrophobicContact CZ-CD2 4.21Å; F74-F197 AromaticContact CZ-CE1 3.78Å; F74-F197 HydrophobicContact CZ-CE1 3.78Å; F74-F197 AromaticContact CZ-CE2 3.83Å; F74-F197 HydrophobicContact CZ-CE2 3.83Å; F74-F197 HydrophobicContact CZ-CG 4.36Å; F74-F197 AromaticContact CZ-CZ 3.6Å; F74-F197 HydrophobicContact CZ-CZ 3.6Å; A76-F197 PolarHBondContact N-O 2.67Å; A76-F197 PolarHBondContact O-N 2.86Å; F98-F197 HydrophobicContact CD2-CB 4.22Å; F98-F197 HydrophobicContact CD2-CD1 4.49Å; F98-F197 HydrophobicContact CE1-CB 3.9Å; F98-F197 HydrophobicContact CE2-CB 3.55Å; F98-F197 AromaticContact CE2-CD1 3.98Å; F98-F197 HydrophobicContact CE2-CD1 3.98Å; F98-F197 HydrophobicContact CE2-CG 4.19Å; F98-F197 HydrophobicContact CZ-CB 3.38Å; F98-F197 HydrophobicContact CZ-CG 4.37Å; F109-F197 AromaticContact CE2-CD1 3.87Å; F109-F197 HydrophobicContact CE2-CD1 3.87Å; F109-F197 HydrophobicContact CE2-CE1 4Å; F126-F197 HydrophobicContact CD1-CE2 4.06Å; F126-F197 HydrophobicContact CD1-CZ 4.21Å; F128-F197 HydrophobicContact CB-CD2 4Å; L143-F197 HydrophobicContact CD1-CE2 4.3Å; V179-F197 HydrophobicContact CG1-CZ 4.1Å; L181-F197 HydrophobicContact CD1-CB 3.98Å; L181-F197 HydrophobicContact CD1-CD1 4.29Å; L181-F197 HydrophobicContact CD1-CD2 4.07Å; L181-F197 HydrophobicContact CD1-CG 3.87Å; L181-F197 HydrophobicContact CD2-CD2 4.36Å; L181-F197 HydrophobicContact CD2-CE2 4.23Å; L181-F197 HydrophobicContact CG-CD1 4.21Å; L181-F197 HydrophobicContact CG-CD2 4.22Å; L181-F197 HydrophobicContact CG-CE1 4.36Å; L181-F197 HydrophobicContact CG-CE2 4.37Å; L181-F197 HydrophobicContact CG-CG 4.16Å; L181-F197 HydrophobicContact CG-CZ 4.44Å
198S98.4Very high91.5Very high40 Ų4043.2 Ų43.228%0.2823%0.226SC..EExtended strand (participates in β ladder)trans-143154.5-176.457.70000111.2F74 R127F74-S198 CarbonylContact O-C 3.5Å; F74-S198 VanDerWaalsContact O-CA 3.23Å; F74-S198 WeakPolarHBondContact O-CA 3.36Å; F74-S198 WeakPolarHBondContact O-CB 3.38Å; R127-S198 PolarHBondContact N-O 2.8Å; R127-S198 PolarHBondContact O-N 2.88Å; R127-S198 VanDerWaalsContact O-O 3.1Å
199G97.9Very high91.9Very high4 Ų445.6 Ų45.64%0.04124%0.239CC..EExtended strand (participates in β ladder)trans-167.4163.5170.400000112.6A73 F74 S125A73-G199 CarbonylContact C-O 3.54Å; A73-G199 WeakPolarHBondContact CA-O 3.41Å; F74-G199 WeakPolarHBondContact CD1-O 3.18Å; F74-G199 VanDerWaalsContact CE1-N 3.29Å; F74-G199 PolarHBondContact N-O 3.21Å; F74-G199 PolarHBondContact O-N 2.94Å; S125-G199 CarbonylContact O-C 3.57Å; S125-G199 WeakPolarHBondContact O-CA 3.4Å
200F97.3Very high92.7Very high69 Ų6943.8 Ų43.830%0.30323%0.229SC..EExtended strand (participates in β ladder)trans-153.6154.8-177.760.5-86.4000111.5L46 V72 A73 Y124 S125 I202L46-F200 HydrophobicContact CB-CE2 4.3Å; L46-F200 HydrophobicContact CB-CZ 4.14Å; L46-F200 HydrophobicContact CD1-CE2 4.13Å; L46-F200 HydrophobicContact CD1-CZ 3.71Å; V72-F200 CarbonylContact O-C 3.43Å; V72-F200 VanDerWaalsContact O-CA 3.26Å; V72-F200 WeakPolarHBondContact O-CA 3.43Å; V72-F200 WeakPolarHBondContact O-CB 3.38Å; A73-F200 HydrophobicContact CB-CB 3.83Å; Y124-F200 CarbonylContact C-O 3.51Å; Y124-F200 VanDerWaalsContact CA-O 3.31Å; Y124-F200 WeakPolarHBondContact CA-O 3.46Å; S125-F200 PolarHBondContact N-O 2.95Å; S125-F200 PolarHBondContact O-N 3.17Å; F200-I202 HydrophobicContact CD2-CG1 4.45Å; F200-I202 HydrophobicContact CE2-CG1 4.06Å
201L96.2Very high93.6Very high12 Ų1245.1 Ų45.16%0.06323%0.228CC..EExtended strand (participates in β ladder)trans-73.6125.3171.917663.6000109.2G70 V72 V120 Y124 F203G70-L201 WeakPolarHBondContact O-CD2 3.42Å; V72-L201 HydrophobicContact CB-CB 3.82Å; V72-L201 HydrophobicContact CB-CD2 4.48Å; V72-L201 HydrophobicContact CG2-CB 4.33Å; V72-L201 HydrophobicContact CG2-CD2 4.08Å; V72-L201 PolarHBondContact O-N 2.84Å; V120-L201 HydrophobicContact CG2-CD2 3.65Å; Y124-L201 HydrophobicContact CD1-CB 4.01Å; Y124-L201 HydrophobicContact CD1-CD1 4.38Å; Y124-L201 HydrophobicContact CD2-CD1 4.23Å; Y124-L201 HydrophobicContact CE1-CB 3.7Å; Y124-L201 HydrophobicContact CE1-CD1 4.01Å; Y124-L201 HydrophobicContact CE1-CG 4.4Å; Y124-L201 HydrophobicContact CE2-CD1 3.86Å; Y124-L201 HydrophobicContact CG-CD1 4.48Å; L201-F203 VanDerWaalsContact CD1-O 3.28Å; L201-F203 WeakPolarHBondContact CD1-O 3.31Å
202I95.4Very high94.3Very high23 Ų2348.3 Ų48.312%0.11825%0.245CC..EExtended strand (participates in β ladder)trans-81.2-53.8173.3-56.9178.1000109.2L46 V123 L170 F200L46-I202 HydrophobicContact CD1-CD1 4.14Å; L46-I202 HydrophobicContact CD2-CD1 4.17Å; L46-I202 HydrophobicContact CD2-CG1 4.42Å; L46-I202 HydrophobicContact CD2-CG2 3.91Å; V123-I202 HydrophobicContact CG1-CD1 4.31Å; V123-I202 WeakPolarHBondContact O-CB 3.4Å; V123-I202 PolarHBondContact O-N 3.45Å; L170-I202 HydrophobicContact CD1-CD1 4.09Å; L170-I202 HydrophobicContact CD2-CD1 3.47Å; L170-I202 VanDerWaalsContact CD2-CD1 3.47Å; L170-I202 HydrophobicContact CG-CD1 4.36Å; F200-I202 HydrophobicContact CD2-CG1 4.45Å; F200-I202 HydrophobicContact CE2-CG1 4.06Å
203F92.1Very high94.7Very high101 Ų10152 Ų5244%0.44326%0.263SS..EExtended strand (participates in β ladder)trans-155.3145174.951.5-100.4000111.1G122 V123 L201 L205G122-F203 VanDerWaalsContact CA-O 3.3Å; G122-F203 WeakPolarHBondContact CA-O 3.4Å; V123-F203 HydrophobicContact CB-CD2 4.41Å; V123-F203 HydrophobicContact CB-CE1 4.36Å; V123-F203 HydrophobicContact CB-CE2 3.87Å; V123-F203 HydrophobicContact CB-CZ 3.83Å; V123-F203 HydrophobicContact CG1-CZ 4.44Å; V123-F203 HydrophobicContact CG2-CD2 4.28Å; V123-F203 HydrophobicContact CG2-CE2 3.43Å; V123-F203 VanDerWaalsContact CG2-CE2 3.43Å; V123-F203 HydrophobicContact CG2-CZ 3.6Å; V123-F203 PolarHBondContact N-O 3.41Å; L201-F203 VanDerWaalsContact CD1-O 3.28Å; L201-F203 WeakPolarHBondContact CD1-O 3.31Å; F203-L205 HydrophobicContact CD2-CD2 4.17Å; F203-L205 HydrophobicContact CD2-CG 4.46Å; F203-L205 HydrophobicContact CE2-CD2 3.9Å; F203-L205 HydrophobicContact CE2-CG 4.34Å
204P93.1Very high95.1Very high83 Ų8351.7 Ų51.754%0.53927%0.265SS..EExtended strand (participates in β ladder)trans-70.9157.6172.830.5-34.4000112.1R121R121-P204 VanDerWaalsContact O-CA 3.29Å; R121-P204 WeakPolarHBondContact O-CA 3.28Å
205L89.3Confident95.4Very high129 Ų12944.7 Ų44.768%0.67524%0.243SC*.  trans-125.20179.2-74.1177.6000112.8R121 V123 F203R121-L205 HydrophobicContact CG-CB 4.18Å; R121-L205 PolarHBondContact O-N 2.86Å; V123-L205 HydrophobicContact CG2-CD1 3.94Å; V123-L205 HydrophobicContact CG2-CG 4.42Å; F203-L205 HydrophobicContact CD2-CD2 4.17Å; F203-L205 HydrophobicContact CD2-CG 4.46Å; F203-L205 HydrophobicContact CE2-CD2 3.9Å; F203-L205 HydrophobicContact CE2-CG 4.34Å

Retrieved 205 of 205 residues in 40.2 ms (Link to these results)