A0A087WZI4_HUMAN Loading...

ADAMTS like 5

AlphaFold DB , UniProt , Accession A0A087WZI4, Species HUMAN (Homo sapiens, Human), Gene ADAMTSL5, Length 210 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
1M33.3Very low36Very low257 Ų257171 Ų171100%1.26688%0.875SS**  0122.20-62.8155.6164.800106.1
2G36.2Very low35.4Very low78 Ų78171.8 Ų171.880%0.80488%0.881SS**  cis-152.6162.33.600000110
3K41.4Very low35.6Very low203 Ų203165.4 Ų165.488%0.88387%0.869SS**  trans-66.1157.6168.3-71.5179.9174.51790110
4L33.6Very low35.4Very low174 Ų174162.1 Ų162.191%0.91187%0.867SS**  trans-174110.2135.9-93.5154000110.4
5R37.1Very low35.8Very low237 Ų237156.1 Ų156.189%0.89486%0.858SS**  trans-98.5174.9135.2-61.3-171-172.9-165.33105.7
6P46.4Very low35.7Very low128 Ų128157.6 Ų157.683%0.83186%0.857SS**  cis-135-177.7-2.333-11000113.6
7G33.6Very low35.5Very low81 Ų81155.8 Ų155.884%0.83585%0.853SS**  trans-146.1107.516200000110.4
8R34.7Very low35.9Very low208 Ų208157.9 Ų157.979%0.78586%0.856SS**  trans-98.4136173170.8-168.7-70.5-163.1-0.8107.2
9V34.8Very low36.4Very low151 Ų151160.9 Ų160.992%0.91585%0.853SS**  trans-134.2139.4151.1179.90000108.9
10E32.1Very low36.6Very low140 Ų140158.4 Ų158.465%0.65485%0.846SS**  trans-79.3168.4-163.7-122.6133.9-159.500115.5
11W33.2Very low37.1Very low224 Ų224158.5 Ų158.585%0.84884%0.841SS**  trans-54.8153.2-176.3-51.489.9000118.2
12L29.1Very low38Very low181 Ų181152.9 Ų152.995%0.94882%0.816SS**  trans-134.7125.8131.8-86.6170.2000109.5
13A37.6Very low38.6Very low88 Ų88157 Ų15773%0.72781%0.812SS**  trans-82.9140.7175.400000110.4
14S32.6Very low39.1Very low119 Ų119154.1 Ų154.183%0.83280%0.802SS**  trans-128.3111.5153.7-75.30000107.4
15G42.2Very low40.1Very low72 Ų72150.4 Ų150.474%0.74278%0.783SS**  trans-67.5139.5177.600000111.4
16H33.3Very low41.1Very low180 Ų180144 Ų14483%0.83377%0.766SS**  trans-124.8122152.4-87.1-72.4000108.9E18H16-E18 PolarHBondContact O-N 3.4Å
17T32.3Very low41.7Very low128 Ų128144.2 Ų144.279%0.78576%0.759SS**  trans-43.3117.8172.113.10000112.8R19T17-R19 PolarHBondContact O-N 3.38Å
18E43.2Very low42.8Very low194 Ų194145 Ų14591%0.90774%0.743SS**  trans-61.7122.9164.8-72.9-107.8133.400110.3H16H16-E18 PolarHBondContact O-N 3.4Å
19R44.7Very low43.9Very low214 Ų214141.6 Ų141.681%0.80874%0.735SS**  trans-120.6145.3161.5-82.4-172.6-170.1179.74.2108.6T17 H21T17-R19 PolarHBondContact O-N 3.38Å; R19-H21 PolarHBondContact O-N 2.97Å
20P41.2Very low45Very low111 Ų111138.9 Ų138.972%0.72172%0.715SS**  trans-76.6116.2-157.329.5-33.7000112.3L22P20-L22 PolarHBondContact O-N 3.39Å
21H47Very low46.3Very low160 Ų160140.3 Ų140.374%0.74171%0.714SS**THydrogen-bonded Turntrans-75.437.4170.7-79.3-78.8000113.3R19R19-H21 PolarHBondContact O-N 2.97Å
22L51.8Low47.4Very low139 Ų139132.3 Ų132.373%0.72870%0.696SS**THydrogen-bonded Turntrans-81.8-14.6179.7-117124.1000113.4P20P20-L22 PolarHBondContact O-N 3.39Å
23F49.9Very low48.8Very low166 Ų166129.6 Ų129.673%0.72868%0.682SS**THydrogen-bonded Turntrans-97.5-18.2-176-90.3-89.6000115.3
24Q51.4Low49.7Very low142 Ų142131.9 Ų131.966%0.66468%0.681SS**Hα-helixtrans-78.5-26.3177.8-152.393.97.400112.2
25N54.5Low50.7Low95 Ų95130.4 Ų130.451%0.50866%0.664SS.*Hα-helixtrans-79.2-28.8177.8-86.8-13.8000112.8L27 L28 F29N25-L27 PolarHBondContact O-N 2.86Å; N25-L28 PolarHBondContact O-N 2.85Å; N25-F29 HydrophobicContact CB-CD2 4.41Å; N25-F29 WeakPolarHBondContact O-CB 3.15Å; N25-F29 VanDerWaalsContact O-CD2 3.29Å; N25-F29 WeakPolarHBondContact O-CD2 3.26Å; N25-F29 PolarHBondContact O-N 3.43Å
26L57.5Low51.2Low104 Ų104132.3 Ų132.355%0.54566%0.664SS.*Hα-helixtrans-68.8-37.1-176.3-144.681.8000112.3L30L26-L30 HydrophobicContact CD2-CD1 4.48Å; L26-L30 HydrophobicContact CG-CD1 4.4Å; L26-L30 VanDerWaalsContact O-CB 3.27Å; L26-L30 WeakPolarHBondContact O-CB 3.39Å; L26-L30 WeakPolarHBondContact O-CD1 3.44Å; L26-L30 WeakPolarHBondContact O-CG 3.24Å; L26-L30 PolarHBondContact O-N 3.28Å
27L58.9Low52.3Low131 Ų131126.8 Ų126.869%0.68666%0.656SS**Hα-helixtrans-71.2-34.1175.2-89.6126.4000112.9N25 W31N25-L27 PolarHBondContact O-N 2.86Å; L27-W31 VanDerWaalsContact O-CB 3.24Å; L27-W31 WeakPolarHBondContact O-CB 3.49Å; L27-W31 PolarHBondContact O-N 3.34Å
28L57.7Low53.3Low97 Ų97127.7 Ų127.751%0.50866%0.655SS.*Hα-helixtrans-71.2-38.5173.1-75.9166.6000111.9N25 W31 A32N25-L28 PolarHBondContact O-N 2.85Å; L28-W31 HydrophobicContact CD2-CE3 4.46Å; L28-W31 PolarHBondContact O-N 3.06Å; L28-A32 WeakPolarHBondContact O-CB 3.28Å; L28-A32 PolarHBondContact O-N 3.25Å
29F57.5Low53.9Low138 Ų138122 Ų12261%0.60565%0.649SS**Hα-helixtrans-67.5-40.9172.7-93.3-80.9000112.1N25 W31 A32 L33N25-F29 HydrophobicContact CB-CD2 4.41Å; N25-F29 WeakPolarHBondContact O-CB 3.15Å; N25-F29 VanDerWaalsContact O-CD2 3.29Å; N25-F29 WeakPolarHBondContact O-CD2 3.26Å; N25-F29 PolarHBondContact O-N 3.43Å; F29-W31 VanDerWaalsContact C-N 3.34Å; F29-A32 PolarHBondContact O-N 2.85Å; F29-L33 WeakPolarHBondContact O-CB 3.41Å; F29-L33 VanDerWaalsContact O-CG 3.23Å; F29-L33 WeakPolarHBondContact O-CG 3.19Å; F29-L33 PolarHBondContact O-N 3.43Å
30L57.8Low54.4Low94 Ų94118 Ų11849%0.49265%0.647SS.*Hα-helixtrans-67-33.4173.8-82.5157.1000112.1L26 L33 L34L26-L30 HydrophobicContact CD2-CD1 4.48Å; L26-L30 HydrophobicContact CG-CD1 4.4Å; L26-L30 VanDerWaalsContact O-CB 3.27Å; L26-L30 WeakPolarHBondContact O-CB 3.39Å; L26-L30 WeakPolarHBondContact O-CD1 3.44Å; L26-L30 WeakPolarHBondContact O-CG 3.24Å; L26-L30 PolarHBondContact O-N 3.28Å; L30-L33 PolarHBondContact O-N 3.02Å; L30-L34 WeakPolarHBondContact O-CB 3.42Å; L30-L34 PolarHBondContact O-N 2.81Å
31W58.6Low54.8Low170 Ų170116.6 Ų116.664%0.64464%0.64SS**Hα-helixtrans-71.2-36.7173.6-171.859000112.8L27 L28 F29 L34 N35L27-W31 VanDerWaalsContact O-CB 3.24Å; L27-W31 WeakPolarHBondContact O-CB 3.49Å; L27-W31 PolarHBondContact O-N 3.34Å; L28-W31 HydrophobicContact CD2-CE3 4.46Å; L28-W31 PolarHBondContact O-N 3.06Å; F29-W31 VanDerWaalsContact C-N 3.34Å; W31-L34 PolarHBondContact O-N 2.96Å; W31-N35 VanDerWaalsContact CE2-ND2 3.33Å; W31-N35 PolarHBondContact NE1-ND2 3.36Å; W31-N35 VanDerWaalsContact NE1-ND2 3.15Å; W31-N35 WeakPolarHBondContact O-CB 3.4Å; W31-N35 PolarHBondContact O-N 3.12Å
32A57.5Low55.1Low56 Ų56113.6 Ų113.646%0.46364%0.644SS.*Hα-helixtrans-65.4-38.9171.400000111.9L28 F29 C36L28-A32 WeakPolarHBondContact O-CB 3.28Å; L28-A32 PolarHBondContact O-N 3.25Å; F29-A32 PolarHBondContact O-N 2.85Å; A32-C36 PolarHBondContact O-N 2.8Å
33L57.3Low55.3Low124 Ų124109.8 Ų109.865%0.64962%0.622SS**Hα-helixtrans-72.5-33.2175.5-68.5168.9000112.8F29 L30F29-L33 WeakPolarHBondContact O-CB 3.41Å; F29-L33 VanDerWaalsContact O-CG 3.23Å; F29-L33 WeakPolarHBondContact O-CG 3.19Å; F29-L33 PolarHBondContact O-N 3.43Å; L30-L33 PolarHBondContact O-N 3.02Å
34L55.8Low55.8Low135 Ų135104 Ų10471%0.70761%0.609SS**Hα-helixtrans-75.5-28.4175.7-114.877.9000113.5L30 W31L30-L34 WeakPolarHBondContact O-CB 3.42Å; L30-L34 PolarHBondContact O-N 2.81Å; W31-L34 PolarHBondContact O-N 2.96Å
35N55.2Low56.9Low89 Ų89101.3 Ų101.348%0.47660%0.604SS.*G310 helixtrans-86.5-2.1176.2-86.7-42.6000114.4W31 G37W31-N35 VanDerWaalsContact CE2-ND2 3.33Å; W31-N35 PolarHBondContact NE1-ND2 3.36Å; W31-N35 VanDerWaalsContact NE1-ND2 3.15Å; W31-N35 WeakPolarHBondContact O-CB 3.4Å; W31-N35 PolarHBondContact O-N 3.12Å; N35-G37 PolarHBondContact O-N 3.31Å
36C51.7Low58.3Low112 Ų11297.2 Ų97.276%0.75758%0.584SS**G310 helixtrans-73.3-1165.2-84.20000113.4A32A32-C36 PolarHBondContact O-N 2.8Å
37G55.8Low59.9Low64 Ų6499.3 Ų99.366%0.6659%0.591SS**G310 helixtrans-99.5-3.8-175.300000116.8N35 G39N35-G37 PolarHBondContact O-N 3.31Å; G37-G39 PolarHBondContact O-N 3.23Å
38L54.4Low61.7Low147 Ų14795.9 Ų95.977%0.7757%0.569SS**SBendtrans-95.885.3166.4-78.7164.3000107.6V40L38-V40 PolarHBondContact O-N 2.91Å
39G56.3Low63.5Low74 Ų7492.8 Ų92.876%0.76355%0.554SS**  trans-60.283.5172.900000111.2G37 S41G37-G39 PolarHBondContact O-N 3.23Å; G39-S41 PolarHBondContact O-N 2.89Å
40V53.5Low65.4Low129 Ų12991.7 Ų91.778%0.78256%0.561SS**  trans-67.5102.3137.3179.80000103.4L38 A42L38-V40 PolarHBondContact O-N 2.91Å; V40-A42 PolarHBondContact O-N 3.11Å
41S51Low67.3Low82 Ų8290.3 Ų90.357%0.57355%0.549SS*.  trans-47.7108.6169.4-164.40000106.3G39 Q43G39-S41 PolarHBondContact O-N 2.89Å; S41-Q43 PolarHBondContact O-N 3.4Å; S41-Q43 PolarHBondContact O-NE2 3.3Å
42A52.6Low69.2Low98 Ų9886.1 Ų86.181%0.8154%0.542SS*.  trans-64.481.3163.300000104.3V40 G44V40-A42 PolarHBondContact O-N 3.11Å; A42-G44 PolarHBondContact O-N 3.17Å
43Q55.9Low71.1Confident59 Ų5988.1 Ų88.128%0.27655%0.553SS.*PPolyproline II helixtrans-55.6118.1172.9-77.514494.800104.4S41 E78S41-Q43 PolarHBondContact O-N 3.4Å; S41-Q43 PolarHBondContact O-NE2 3.3Å; Q43-E78 HydrophobicContact CB-CB 3.75Å; Q43-E78 HydrophobicContact CB-CG 3.4Å; Q43-E78 HydrophobicContact CG-CG 3.74Å; Q43-E78 VanDerWaalsContact OE1-CG 3.27Å
44G61.3Low73Confident43 Ų4384.9 Ų84.944%0.44353%0.532SS..PPolyproline II helixtrans-52.6161.9179.900000110.6A42 G46A42-G44 PolarHBondContact O-N 3.17Å; G44-G46 PolarHBondContact O-N 2.88Å
45P74.5Confident75Confident87 Ų8782 Ų8257%0.56552%0.52SS*.SBendtrans-52138.7174.124.7-32.9000108.9
46G84.2Confident76.9Confident9 Ų988.9 Ų88.99%0.09354%0.54CS..PPolyproline II helixtrans-49.5157.4179.900000112.5G44 L73 E79 C81G44-G46 PolarHBondContact O-N 2.88Å; G46-L73 CarbonylContact C-O 3.5Å; G46-L73 VanDerWaalsContact CA-O 3.31Å; G46-L73 WeakPolarHBondContact CA-O 3.32Å; G46-E79 PolarHBondContact N-O 3.11Å; G46-C81 PolarHBondContact O-SG 3.2Å
47E91.4Very high78.9Confident148 Ų14884.6 Ų84.669%0.69251%0.51SS*.EExtended strand (participates in β ladder)trans-93130.7-177.6-167.5177.717700110.8L73E47-L73 PolarHBondContact N-O 3.2Å; E47-L73 WeakPolarHBondContact O-CB 3.31Å; E47-L73 PolarHBondContact O-N 3.31Å
48W95.4Very high80.7Confident58 Ų5884.1 Ų84.122%0.2250%0.497CS..EExtended strand (participates in β ladder)trans-73.5133.3172.9-78.7120.1000110.8R70 R71 C72 C81 W82 G83W48-R70 HydrophobicContact CD2-CG 4.09Å; W48-R70 HydrophobicContact CE3-CB 4.26Å; W48-R70 HydrophobicContact CE3-CG 3.5Å; W48-R70 HydrophobicContact CZ3-CG 3.85Å; W48-R71 VanDerWaalsContact CE3-C 3.42Å; W48-C72 HydrophobicContact CE3-CB 4.02Å; W48-C72 HydrophobicContact CH2-CB 4.07Å; W48-C72 HydrophobicContact CZ3-CB 3.69Å; W48-C81 HydrophobicContact CD2-CB 3.68Å; W48-C81 HydrophobicContact CE3-CB 4.25Å; W48-C81 HydrophobicContact CG-CB 4.18Å; W48-C81 HydrophobicContact CH2-CB 3.93Å; W48-C81 HydrophobicContact CZ2-CB 3.33Å; W48-C81 HydrophobicContact CZ3-CB 4.37Å; W48-W82 PolarHBondContact NE1-O 3.35Å; W48-G83 WeakPolarHBondContact CZ2-O 3.29Å
49T96.8Very high82.4Confident33 Ų3377.8 Ų77.820%0.20247%0.465CS..PPolyproline II helixtrans-61.3157.616267.70000110.1R71 L73T49-R71 HydrophobicContact CG2-CB 4.02Å; T49-R71 WeakPolarHBondContact CG2-O 3.38Å; T49-R71 PolarHBondContact N-O 3.29Å; T49-R71 PolarHBondContact OG1-N 3Å; T49-R71 PolarHBondContact OG1-O 3.12Å; T49-L73 HydrophobicContact CG2-CD1 3.92Å; T49-L73 HydrophobicContact CG2-CD2 3.92Å; T49-L73 HydrophobicContact CG2-CG 3.73Å
50P97.1Very high84.1Confident114 Ų11479.4 Ų79.474%0.7447%0.465SS*.PPolyproline II helixtrans-52.6149.5164-24.534.4000111V52P50-V52 PolarHBondContact O-N 3.26Å
51W97.8Very high86Confident65 Ų6574.5 Ų74.525%0.24644%0.436CS..PPolyproline II helixtrans-61.8131.6172-73.7109.6000110.3R68 S69 R70 E87W51-R68 HydrophobicContact CD2-CG 4.29Å; W51-R68 HydrophobicContact CE3-CB 4.36Å; W51-R68 HydrophobicContact CE3-CG 3.71Å; W51-R68 HydrophobicContact CZ3-CG 4.13Å; W51-S69 VanDerWaalsContact CE3-C 3.47Å; W51-R70 HydrophobicContact CD2-CB 4.11Å; W51-R70 HydrophobicContact CD2-CG 4.05Å; W51-R70 HydrophobicContact CE3-CB 3.79Å; W51-R70 HydrophobicContact CE3-CG 3.73Å; W51-R70 HydrophobicContact CH2-CG 3.68Å; W51-R70 VanDerWaalsContact CZ2-CD 3.46Å; W51-R70 HydrophobicContact CZ2-CG 4.01Å; W51-R70 VanDerWaalsContact CZ2-CZ 3.41Å; W51-R70 HydrophobicContact CZ3-CB 4.08Å; W51-R70 HydrophobicContact CZ3-CG 3.55Å; W51-E87 HydrophobicContact CH2-CB 4.21Å; W51-E87 HydrophobicContact CH2-CG 3.6Å; W51-E87 HydrophobicContact CZ2-CG 3.82Å; W51-E87 WeakPolarHBondContact CZ2-OE1 3.35Å; W51-E87 HydrophobicContact CZ3-CB 4.37Å; W51-E87 HydrophobicContact CZ3-CG 4.24Å
52V97.9Very high87.9Confident82 Ų8271.3 Ų71.350%0.49742%0.416SS..PPolyproline II helixtrans-66.2157.6167.3-176.40000109P50 R68 S69P50-V52 PolarHBondContact O-N 3.26Å; V52-R68 WeakPolarHBondContact O-CB 3.47Å; V52-S69 WeakPolarHBondContact CB-O 3.09Å; V52-S69 WeakPolarHBondContact CG2-O 3.49Å; V52-S69 PolarHBondContact N-O 3.21Å
53S97.8Very high89.7Confident98 Ų9871.5 Ų71.569%0.68540%0.396SS*.PPolyproline II helixtrans-57.9151.117153.90000111.5T55S53-T55 PolarHBondContact O-N 3.37Å
54W97.6Very high91.4Very high56 Ų5668.7 Ų68.721%0.21238%0.382CS..PPolyproline II helixtrans-59.8136.7175.2-6899.3000111.1S66 V67 R68 E87 R89 L180W54-S66 WeakPolarHBondContact CZ3-O 3.36Å; W54-V67 WeakPolarHBondContact CA-O 3.5Å; W54-R68 HydrophobicContact CD2-CB 3.87Å; W54-R68 HydrophobicContact CD2-CG 3.95Å; W54-R68 VanDerWaalsContact CE2-CD 3.44Å; W54-R68 HydrophobicContact CE3-CB 3.77Å; W54-R68 HydrophobicContact CE3-CG 3.84Å; W54-R68 HydrophobicContact CG-CB 4.38Å; W54-R68 HydrophobicContact CH2-CB 4.48Å; W54-R68 HydrophobicContact CH2-CG 3.64Å; W54-R68 VanDerWaalsContact CZ2-CD 3.42Å; W54-R68 HydrophobicContact CZ2-CG 3.75Å; W54-R68 VanDerWaalsContact CZ2-NE 3.3Å; W54-R68 HydrophobicContact CZ3-CB 4.09Å; W54-R68 HydrophobicContact CZ3-CG 3.69Å; W54-E87 HydrophobicContact CH2-CB 3.92Å; W54-E87 HydrophobicContact CZ3-CB 4.48Å; W54-E87 VanDerWaalsContact CZ3-O 3.28Å; W54-E87 WeakPolarHBondContact CZ3-O 3.27Å; W54-R89 HydrophobicContact CD2-CG 4.16Å; W54-R89 HydrophobicContact CE3-CG 3.79Å; W54-R89 VanDerWaalsContact CG-CZ 3.41Å; W54-R89 HydrophobicContact CH2-CB 3.89Å; W54-R89 HydrophobicContact CH2-CG 3.86Å; W54-R89 HydrophobicContact CZ2-CB 4.42Å; W54-R89 HydrophobicContact CZ2-CG 4.22Å; W54-R89 HydrophobicContact CZ3-CB 4.01Å; W54-R89 HydrophobicContact CZ3-CG 3.63Å; W54-L180 HydrophobicContact CH2-CD2 3.78Å; W54-L180 HydrophobicContact CZ2-CD2 4.01Å
55T96.9Very high93Very high76 Ų7666.8 Ų66.847%0.46636%0.363SS..PPolyproline II helixtrans-63160.7170.463.50000110.8S53 S66 V67S53-T55 PolarHBondContact O-N 3.37Å; T55-S66 WeakPolarHBondContact O-CB 3.25Å; T55-S66 PolarHBondContact O-OG 3.03Å; T55-V67 WeakPolarHBondContact CG2-O 3.24Å; T55-V67 PolarHBondContact N-O 3.47Å; T55-V67 PolarHBondContact OG1-N 3.16Å; T55-V67 PolarHBondContact OG1-O 3.35Å
56R95.5Very high94Very high233 Ų23362.9 Ų62.988%0.87934%0.337SS*.PPolyproline II helixtrans-54150.3163.6-171.5178.6-70-170-0.8109.8
57C94.3Very high94.6Very high21 Ų2164 Ų6414%0.14234%0.342CS..PPolyproline II helixtrans-56.9140.5174.3-161.40000111S59 C91 L93C57-S59 PolarHBondContact O-N 3.17Å; C57-C91 WeakPolarHBondContact CA-SG 3.36Å; C57-C91 HydrophobicContact CB-CB 3.76Å; C57-C91 WeakPolarHBondContact CB-SG 3.14Å; C57-C91 WeakPolarHBondContact SG-CB 3.03Å; C57-C91 CovalentContact SG-SG 2.02Å; C57-C91 PolarHBondContact SG-SG 3.17Å; C57-L93 HydrophobicContact CB-CD1 4Å
58S92.4Very high94.9Very high55 Ų5560 Ų6039%0.38532%0.321SS..SBendtrans-66.6-23.217763.20000113.6V65S58-V65 PolarHBondContact N-O 2.04Å; S58-V65 PolarHBondContact OG-N 3.12Å; S58-V65 PolarHBondContact OG-O 3.21Å
59S90.9Very high95Very high13 Ų1359.3 Ų59.39%0.09133%0.325CS..  trans-102.4159.8176-560000111.3C57 C61 R63 G64 L93C57-S59 PolarHBondContact O-N 3.17Å; S59-C61 WeakPolarHBondContact CB-O 3.42Å; S59-R63 WeakPolarHBondContact CB-O 3.36Å; S59-R63 PolarHBondContact OG-O 3.28Å; S59-G64 WeakPolarHBondContact OG-CA 3.41Å; S59-L93 WeakPolarHBondContact O-CD1 3.49Å
60S91.7Very high95Very high109 Ų10960 Ų6076%0.76232%0.324SS*.SBendtrans-99.7-13.9171.653.30000113.7
61C93.1Very high95Very high26 Ų2663.9 Ų63.918%0.17632%0.324CS..SBendtrans-149.2167.4175.861.20000109.8S59 R63 P94 C96S59-C61 WeakPolarHBondContact CB-O 3.42Å; C61-R63 PolarHBondContact O-N 3Å; C61-P94 CarbonylContact C-O 3.6Å; C61-P94 WeakPolarHBondContact CA-O 3.42Å; C61-P94 WeakPolarHBondContact CB-O 3.25Å; C61-C96 HydrophobicContact CB-CB 3.9Å; C61-C96 WeakPolarHBondContact CB-SG 3.37Å; C61-C96 WeakPolarHBondContact SG-CA 2.97Å; C61-C96 WeakPolarHBondContact SG-CB 3.43Å; C61-C96 CovalentContact SG-SG 2.04Å; C61-C96 PolarHBondContact SG-SG 2.81Å
62G90.7Very high94.9Very high15 Ų1562.8 Ų62.816%0.15533%0.325CS..SBendtrans60.1-130.9178.100000112.7L93 P94G62-L93 WeakPolarHBondContact O-CB 3.49Å; G62-L93 PolarHBondContact O-N 3.12Å; G62-P94 PolarHBondContact N-O 3.31Å
63R90.6Very high94.7Very high101 Ų10163.6 Ų63.638%0.38133%0.326SS..EExtended strand (participates in β ladder)trans-101.5139.9-178.3-168.2-178.7-64152.36.7110.5S59 C61 L90 A163 Q164S59-R63 WeakPolarHBondContact CB-O 3.36Å; S59-R63 PolarHBondContact OG-O 3.28Å; C61-R63 PolarHBondContact O-N 3Å; R63-L90 HydrophobicContact CG-CD2 3.79Å; R63-A163 PolarHBondContact NH1-O 3.37Å; R63-Q164 PolarHBondContact NH1-O 3.3Å; R63-Q164 VanDerWaalsContact NH1-O 3.13Å
64G91.6Very high94.4Very high0 Ų065.6 Ų65.60%032%0.319CS..EExtended strand (participates in β ladder)trans-147.2-168.8169.500000111.7S59 C91S59-G64 WeakPolarHBondContact OG-CA 3.41Å; G64-C91 PolarHBondContact N-O 2.71Å; G64-C91 PolarHBondContact O-N 3.49Å; G64-C91 PolarHBondContact O-SG 3.43Å; G64-C91 VanDerWaalsContact O-SG 3.35Å
65V95Very high93.9Very high4 Ų468.1 Ų68.12%0.02434%0.336CS..EExtended strand (participates in β ladder)trans-122136.4179.9175.10000110.1S58 V67 Y88 R89 C91 G156 V166 V168 L181S58-V65 PolarHBondContact N-O 2.04Å; S58-V65 PolarHBondContact OG-N 3.12Å; S58-V65 PolarHBondContact OG-O 3.21Å; V65-V67 HydrophobicContact CG1-CG2 4.25Å; V65-Y88 HydrophobicContact CG1-CD1 4Å; V65-R89 WeakPolarHBondContact CA-O 3.2Å; V65-C91 PolarHBondContact N-SG 2.99Å; V65-C91 VanDerWaalsContact N-SG 3.37Å; V65-G156 VanDerWaalsContact CG2-CA 3.45Å; V65-V166 HydrophobicContact CG2-CB 4.33Å; V65-V166 HydrophobicContact CG2-CG2 3.58Å; V65-V168 HydrophobicContact CG1-CG2 4.24Å; V65-V168 HydrophobicContact CG2-CG2 4.13Å; V65-L181 HydrophobicContact CG1-CD1 4.11Å; V65-L181 HydrophobicContact CG2-CD1 3.77Å
66S96.2Very high93.4Very high5 Ų570.4 Ų70.44%0.03535%0.352CS..EExtended strand (participates in β ladder)trans-110.1144.3165.1-80.40000109W54 T55 Y88 R89W54-S66 WeakPolarHBondContact CZ3-O 3.36Å; T55-S66 WeakPolarHBondContact O-CB 3.25Å; T55-S66 PolarHBondContact O-OG 3.03Å; S66-Y88 WeakPolarHBondContact O-CA 3.46Å; S66-R89 PolarHBondContact N-O 3.18Å; S66-R89 PolarHBondContact O-N 3.11Å
67V96.1Very high92.8Very high32 Ų3262.4 Ų62.419%0.19434%0.342CS..EExtended strand (participates in β ladder)trans-119.9143.4-179-167.10000109W54 T55 V65 H86 E87 Y88W54-V67 WeakPolarHBondContact CA-O 3.5Å; T55-V67 WeakPolarHBondContact CG2-O 3.24Å; T55-V67 PolarHBondContact N-O 3.47Å; T55-V67 PolarHBondContact OG1-N 3.16Å; T55-V67 PolarHBondContact OG1-O 3.35Å; V65-V67 HydrophobicContact CG1-CG2 4.25Å; V67-H86 HydrophobicContact CG1-CB 4.47Å; V67-E87 CarbonylContact C-O 3.53Å; V67-E87 WeakPolarHBondContact CA-O 3.31Å; V67-Y88 HydrophobicContact CB-CD1 4.22Å; V67-Y88 HydrophobicContact CB-CE1 4.27Å; V67-Y88 HydrophobicContact CG1-CD1 3.89Å; V67-Y88 HydrophobicContact CG1-CE1 3.64Å; V67-Y88 HydrophobicContact CG2-CD1 3.55Å; V67-Y88 HydrophobicContact CG2-CE1 3.65Å
68R97.3Very high92.5Very high64 Ų6463.4 Ų63.424%0.24235%0.345CS..EExtended strand (participates in β ladder)trans-125.5151.6161.265.8176.5178.9178.91.4109.2W51 V52 W54 H86 E87W51-R68 HydrophobicContact CD2-CG 4.29Å; W51-R68 HydrophobicContact CE3-CB 4.36Å; W51-R68 HydrophobicContact CE3-CG 3.71Å; W51-R68 HydrophobicContact CZ3-CG 4.13Å; V52-R68 WeakPolarHBondContact O-CB 3.47Å; W54-R68 HydrophobicContact CD2-CB 3.87Å; W54-R68 HydrophobicContact CD2-CG 3.95Å; W54-R68 VanDerWaalsContact CE2-CD 3.44Å; W54-R68 HydrophobicContact CE3-CB 3.77Å; W54-R68 HydrophobicContact CE3-CG 3.84Å; W54-R68 HydrophobicContact CG-CB 4.38Å; W54-R68 HydrophobicContact CH2-CB 4.48Å; W54-R68 HydrophobicContact CH2-CG 3.64Å; W54-R68 VanDerWaalsContact CZ2-CD 3.42Å; W54-R68 HydrophobicContact CZ2-CG 3.75Å; W54-R68 VanDerWaalsContact CZ2-NE 3.3Å; W54-R68 HydrophobicContact CZ3-CB 4.09Å; W54-R68 HydrophobicContact CZ3-CG 3.69Å; R68-H86 WeakPolarHBondContact O-CA 2.94Å; R68-E87 HydrophobicContact CG-CB 3.92Å; R68-E87 IonicContact CZ-OE2 3.05Å; R68-E87 PolarHBondContact N-O 3.46Å; R68-E87 IonicContact NE-OE2 2.73Å; R68-E87 PolarHBondContact NE-OE2 3.06Å; R68-E87 IonicContact NH2-OE1 3.68Å; R68-E87 IonicContact NH2-OE2 2.6Å; R68-E87 PolarHBondContact NH2-OE2 2.89Å; R68-E87 PolarHBondContact O-N 2.87Å
69S97.3Very high92.3Very high44 Ų4466.4 Ų66.431%0.30835%0.353SS..EExtended strand (participates in β ladder)trans-131.8157.3-178.260.30000111.5W51 V52 S85W51-S69 VanDerWaalsContact CE3-C 3.47Å; V52-S69 WeakPolarHBondContact CB-O 3.09Å; V52-S69 WeakPolarHBondContact CG2-O 3.49Å; V52-S69 PolarHBondContact N-O 3.21Å; S69-S85 VanDerWaalsContact CA-O 3.31Å; S69-S85 WeakPolarHBondContact CA-O 3.45Å
70R97.6Very high92.2Very high48 Ų4869.3 Ų69.318%0.18137%0.371CS..  trans-139.4159.9169.960.7178.1177.9-179.4-1.7108.7W48 W51 D84 S85W48-R70 HydrophobicContact CD2-CG 4.09Å; W48-R70 HydrophobicContact CE3-CB 4.26Å; W48-R70 HydrophobicContact CE3-CG 3.5Å; W48-R70 HydrophobicContact CZ3-CG 3.85Å; W51-R70 HydrophobicContact CD2-CB 4.11Å; W51-R70 HydrophobicContact CD2-CG 4.05Å; W51-R70 HydrophobicContact CE3-CB 3.79Å; W51-R70 HydrophobicContact CE3-CG 3.73Å; W51-R70 HydrophobicContact CH2-CG 3.68Å; W51-R70 VanDerWaalsContact CZ2-CD 3.46Å; W51-R70 HydrophobicContact CZ2-CG 4.01Å; W51-R70 VanDerWaalsContact CZ2-CZ 3.41Å; W51-R70 HydrophobicContact CZ3-CB 4.08Å; W51-R70 HydrophobicContact CZ3-CG 3.55Å; R70-D84 PolarHBondContact NE-O 3.29Å; R70-D84 PolarHBondContact NH2-O 2.86Å; R70-S85 PolarHBondContact N-O 2.78Å
71R96.4Very high92.2Very high195 Ų19564.9 Ų64.974%0.73634%0.34SS*.  trans-114.2144.4179.6-63.1-177.8-177.3179.41109.8W48 T49W48-R71 VanDerWaalsContact CE3-C 3.42Å; T49-R71 HydrophobicContact CG2-CB 4.02Å; T49-R71 WeakPolarHBondContact CG2-O 3.38Å; T49-R71 PolarHBondContact N-O 3.29Å; T49-R71 PolarHBondContact OG1-N 3Å; T49-R71 PolarHBondContact OG1-O 3.12Å
72C95.4Very high92.2Very high41 Ų4173.5 Ų73.528%0.27737%0.369SS..EExtended strand (participates in β ladder)trans-86.5112.5171.4-178.10000108.4W48 C81W48-C72 HydrophobicContact CE3-CB 4.02Å; W48-C72 HydrophobicContact CH2-CB 4.07Å; W48-C72 HydrophobicContact CZ3-CB 3.69Å; C72-C81 WeakPolarHBondContact CA-SG 3.3Å; C72-C81 HydrophobicContact CB-CB 3.72Å; C72-C81 WeakPolarHBondContact CB-SG 3.39Å; C72-C81 WeakPolarHBondContact SG-CB 3.45Å; C72-C81 PolarHBondContact SG-N 3.02Å; C72-C81 CovalentContact SG-SG 2.02Å; C72-C81 PolarHBondContact SG-SG 3.46Å
73L94.1Very high92.2Very high100 Ų10075.4 Ų75.452%0.52439%0.389SS..EExtended strand (participates in β ladder)trans-83.5119.5171.5-57.4-177.7000107.8G46 E47 T49G46-L73 CarbonylContact C-O 3.5Å; G46-L73 VanDerWaalsContact CA-O 3.31Å; G46-L73 WeakPolarHBondContact CA-O 3.32Å; E47-L73 PolarHBondContact N-O 3.2Å; E47-L73 WeakPolarHBondContact O-CB 3.31Å; E47-L73 PolarHBondContact O-N 3.31Å; T49-L73 HydrophobicContact CG2-CD1 3.92Å; T49-L73 HydrophobicContact CG2-CD2 3.92Å; T49-L73 HydrophobicContact CG2-CG 3.73Å
74R91Very high92.3Very high140 Ų14076.4 Ų76.453%0.52840%0.402SS..  trans-149.1148.1178.270.9176.8-173.385.12.3111.5E78R74-E78 VanDerWaalsContact CA-OE2 3.24Å; R74-E78 WeakPolarHBondContact CA-OE2 3.05Å; R74-E78 HydrophobicContact CB-CB 4.21Å
75L88.1Confident92.5Very high109 Ų10978.8 Ų78.857%0.57142%0.418SS*.  trans-79.5162.6168.8-58.5174.3000111.2G77 E78L75-G77 PolarHBondContact O-N 3.48Å; L75-E78 HydrophobicContact CB-CG 3.68Å; L75-E78 VanDerWaalsContact N-CD 3.31Å; L75-E78 PolarHBondContact N-OE2 3.03Å; L75-E78 PolarHBondContact O-N 3.39Å
76P86Confident92.5Very high124 Ų12482.5 Ų82.581%0.80544%0.435SS*.THydrogen-bonded Turntrans-62.3116.7170.6-20.533.2000110.7
77G83.3Confident92.6Very high65 Ų6584.2 Ų84.267%0.6744%0.442SS*.THydrogen-bonded Turntrans105.4-7.7-178.900000114.7L75L75-G77 PolarHBondContact O-N 3.48Å
78E87.3Confident92.6Very high41 Ų4184.9 Ų84.919%0.19244%0.442CS..SBendtrans-83.2151.6172-39.7-166.613600112.1Q43 R74 L75Q43-E78 HydrophobicContact CB-CB 3.75Å; Q43-E78 HydrophobicContact CB-CG 3.4Å; Q43-E78 HydrophobicContact CG-CG 3.74Å; Q43-E78 VanDerWaalsContact OE1-CG 3.27Å; R74-E78 VanDerWaalsContact CA-OE2 3.24Å; R74-E78 WeakPolarHBondContact CA-OE2 3.05Å; R74-E78 HydrophobicContact CB-CB 4.21Å; L75-E78 HydrophobicContact CB-CG 3.68Å; L75-E78 VanDerWaalsContact N-CD 3.31Å; L75-E78 PolarHBondContact N-OE2 3.03Å; L75-E78 PolarHBondContact O-N 3.39Å
79E87.9Confident92.5Very high119 Ų11986.5 Ų86.556%0.55645%0.448SS*.PPolyproline II helixtrans-63.1141.3173.8-74-64.814500111.3G46G46-E79 PolarHBondContact N-O 3.11Å
80P89.9Confident92.4Very high73 Ų7386.6 Ų86.647%0.47445%0.445SS..PPolyproline II helixtrans-64.6154.5174.528.9-33.3000111.2
81C92.4Very high92.2Very high16 Ų1685.1 Ų85.111%0.10844%0.442CS..PPolyproline II helixtrans-64.9142.5175.1-53.80000110.7G46 W48 C72G46-C81 PolarHBondContact O-SG 3.2Å; W48-C81 HydrophobicContact CD2-CB 3.68Å; W48-C81 HydrophobicContact CE3-CB 4.25Å; W48-C81 HydrophobicContact CG-CB 4.18Å; W48-C81 HydrophobicContact CH2-CB 3.93Å; W48-C81 HydrophobicContact CZ2-CB 3.33Å; W48-C81 HydrophobicContact CZ3-CB 4.37Å; C72-C81 WeakPolarHBondContact CA-SG 3.3Å; C72-C81 HydrophobicContact CB-CB 3.72Å; C72-C81 WeakPolarHBondContact CB-SG 3.39Å; C72-C81 WeakPolarHBondContact SG-CB 3.45Å; C72-C81 PolarHBondContact SG-N 3.02Å; C72-C81 CovalentContact SG-SG 2.02Å; C72-C81 PolarHBondContact SG-SG 3.46Å
82W92.2Very high91.9Very high207 Ų20783.7 Ų83.778%0.78444%0.443SS*.SBendtrans-87.3139.5178.5-66.655.1000110.4W48W48-W82 PolarHBondContact NE1-O 3.35Å
83G90.9Very high91.8Very high56 Ų5684.4 Ų84.458%0.57744%0.444SS*.SBendtrans96.3-178.7-17900000114.2W48W48-G83 WeakPolarHBondContact CZ2-O 3.29Å
84D92.8Very high91.9Very high122 Ų12284.7 Ų84.765%0.65245%0.452SS*.  trans-79.9144.1-172-64.1-50.2000112.9R70 H86R70-D84 PolarHBondContact NE-O 3.29Å; R70-D84 PolarHBondContact NH2-O 2.86Å; D84-H86 VanDerWaalsContact C-N 3.34Å; D84-H86 WeakPolarHBondContact CB-O 3.48Å
85S95.6Very high92Very high49 Ų4985.1 Ų85.134%0.34347%0.465SS..SBendtrans-83.7-13.8172.654.60000112.9S69 R70S69-S85 VanDerWaalsContact CA-O 3.31Å; S69-S85 WeakPolarHBondContact CA-O 3.45Å; R70-S85 PolarHBondContact N-O 2.78Å
86H95.8Very high92.3Very high83 Ų8382.6 Ų82.638%0.38446%0.456SS..EExtended strand (participates in β ladder)trans-133.7140.4-177.7-64.876.4000109.8V67 R68 D84 Y88V67-H86 HydrophobicContact CG1-CB 4.47Å; R68-H86 WeakPolarHBondContact O-CA 2.94Å; D84-H86 VanDerWaalsContact C-N 3.34Å; D84-H86 WeakPolarHBondContact CB-O 3.48Å; H86-Y88 HydrophobicContact CB-CE2 3.83Å
87E96.9Very high92.7Very high40 Ų4080.8 Ų80.819%0.18744%0.444CS..EExtended strand (participates in β ladder)trans-123.4148.5166.9-77.7176.8-16600109.3W51 W54 V67 R68W51-E87 HydrophobicContact CH2-CB 4.21Å; W51-E87 HydrophobicContact CH2-CG 3.6Å; W51-E87 HydrophobicContact CZ2-CG 3.82Å; W51-E87 WeakPolarHBondContact CZ2-OE1 3.35Å; W51-E87 HydrophobicContact CZ3-CB 4.37Å; W51-E87 HydrophobicContact CZ3-CG 4.24Å; W54-E87 HydrophobicContact CH2-CB 3.92Å; W54-E87 HydrophobicContact CZ3-CB 4.48Å; W54-E87 VanDerWaalsContact CZ3-O 3.28Å; W54-E87 WeakPolarHBondContact CZ3-O 3.27Å; V67-E87 CarbonylContact C-O 3.53Å; V67-E87 WeakPolarHBondContact CA-O 3.31Å; R68-E87 HydrophobicContact CG-CB 3.92Å; R68-E87 IonicContact CZ-OE2 3.05Å; R68-E87 PolarHBondContact N-O 3.46Å; R68-E87 IonicContact NE-OE2 2.73Å; R68-E87 PolarHBondContact NE-OE2 3.06Å; R68-E87 IonicContact NH2-OE1 3.68Å; R68-E87 IonicContact NH2-OE2 2.6Å; R68-E87 PolarHBondContact NH2-OE2 2.89Å; R68-E87 PolarHBondContact O-N 2.87Å
88Y96.9Very high93.3Very high47 Ų4784.2 Ų84.218%0.18445%0.454CS..EExtended strand (participates in β ladder)trans-125.2141.5-175.8-58-91.1000108.2V65 S66 V67 H86 V168 L180 L181V65-Y88 HydrophobicContact CG1-CD1 4Å; S66-Y88 WeakPolarHBondContact O-CA 3.46Å; V67-Y88 HydrophobicContact CB-CD1 4.22Å; V67-Y88 HydrophobicContact CB-CE1 4.27Å; V67-Y88 HydrophobicContact CG1-CD1 3.89Å; V67-Y88 HydrophobicContact CG1-CE1 3.64Å; V67-Y88 HydrophobicContact CG2-CD1 3.55Å; V67-Y88 HydrophobicContact CG2-CE1 3.65Å; H86-Y88 HydrophobicContact CB-CE2 3.83Å; Y88-V168 HydrophobicContact CD1-CG1 3.35Å; Y88-V168 HydrophobicContact CD1-CG2 4.39Å; Y88-V168 HydrophobicContact CD2-CG1 3.89Å; Y88-V168 HydrophobicContact CE1-CG1 3.28Å; Y88-V168 HydrophobicContact CE2-CG1 3.83Å; Y88-V168 HydrophobicContact CG-CG1 3.68Å; Y88-L180 WeakPolarHBondContact O-CA 3.29Å; Y88-L181 PolarHBondContact O-N 3.35Å
89R96Very high93.5Very high97 Ų9785.9 Ų85.937%0.36648%0.483SS..EExtended strand (participates in β ladder)trans-137.4155.117270.8179.2-178.1178.11.5110.6W54 V65 S66 G179 L180W54-R89 HydrophobicContact CD2-CG 4.16Å; W54-R89 HydrophobicContact CE3-CG 3.79Å; W54-R89 VanDerWaalsContact CG-CZ 3.41Å; W54-R89 HydrophobicContact CH2-CB 3.89Å; W54-R89 HydrophobicContact CH2-CG 3.86Å; W54-R89 HydrophobicContact CZ2-CB 4.42Å; W54-R89 HydrophobicContact CZ2-CG 4.22Å; W54-R89 HydrophobicContact CZ3-CB 4.01Å; W54-R89 HydrophobicContact CZ3-CG 3.63Å; V65-R89 WeakPolarHBondContact CA-O 3.2Å; S66-R89 PolarHBondContact N-O 3.18Å; S66-R89 PolarHBondContact O-N 3.11Å; R89-G179 WeakPolarHBondContact CB-O 3.04Å; R89-L180 HydrophobicContact CB-CD2 4.49Å
90L94.1Very high93.7Very high46 Ų4682.5 Ų82.524%0.24148%0.475CS..EExtended strand (participates in β ladder)trans-71137167.9-70175.6000109.8R63 V166 A175 L181R63-L90 HydrophobicContact CG-CD2 3.79Å; L90-V166 HydrophobicContact CD2-CG1 3.93Å; L90-V166 HydrophobicContact CD2-CG2 3.71Å; L90-A175 HydrophobicContact CD1-CB 3.94Å; L90-A175 HydrophobicContact CG-CB 4.47Å; L90-L181 HydrophobicContact CD1-CD2 4.33Å; L90-L181 HydrophobicContact CD2-CD1 4.11Å; L90-L181 HydrophobicContact CD2-CD2 4.03Å; L90-L181 HydrophobicContact CD2-CG 4.47Å; L90-L181 HydrophobicContact CG-CD1 4.28Å; L90-L181 HydrophobicContact CG-CD2 3.82Å; L90-L181 HydrophobicContact CG-CG 4.18Å
91C92.7Very high93.8Very high18 Ų1883.7 Ų83.712%0.12248%0.481CS..EExtended strand (participates in β ladder)trans-112.7134.5164.139.30000108.2C57 G64 V65C57-C91 WeakPolarHBondContact CA-SG 3.36Å; C57-C91 HydrophobicContact CB-CB 3.76Å; C57-C91 WeakPolarHBondContact CB-SG 3.14Å; C57-C91 WeakPolarHBondContact SG-CB 3.03Å; C57-C91 CovalentContact SG-SG 2.02Å; C57-C91 PolarHBondContact SG-SG 3.17Å; G64-C91 PolarHBondContact N-O 2.71Å; G64-C91 PolarHBondContact O-N 3.49Å; G64-C91 PolarHBondContact O-SG 3.43Å; G64-C91 VanDerWaalsContact O-SG 3.35Å; V65-C91 PolarHBondContact N-SG 2.99Å; V65-C91 VanDerWaalsContact N-SG 3.37Å
92Q91.1Very high93.8Very high164 Ų16486.5 Ų86.577%0.76650%0.499SS*.EExtended strand (participates in β ladder)trans-114.2117.3-177.1-152.4146.7-2.100108.1
93L92.9Very high93.9Very high56 Ų5680.8 Ų80.829%0.29348%0.48SS..  trans-110.2167.2-178-64.4163.8000108.5C57 S59 G62C57-L93 HydrophobicContact CB-CD1 4Å; S59-L93 WeakPolarHBondContact O-CD1 3.49Å; G62-L93 WeakPolarHBondContact O-CB 3.49Å; G62-L93 PolarHBondContact O-N 3.12Å
94P95.6Very high94.1Very high106 Ų10678.5 Ų78.569%0.68845%0.454SS*.SBendtrans-52147.5170.5-25.935.6000111.4C61 G62C61-P94 CarbonylContact C-O 3.6Å; C61-P94 WeakPolarHBondContact CA-O 3.42Å; C61-P94 WeakPolarHBondContact CB-O 3.25Å; G62-P94 PolarHBondContact N-O 3.31Å
95D94.1Very high94.3Very high150 Ų15075.7 Ų75.780%0.80244%0.439SS*.PPolyproline II helixtrans-53.5145.3-179.3-70.2-38.6000111.8
96C93Very high94.4Very high56 Ų5677.9 Ų77.938%0.37845%0.446SS..PPolyproline II helixtrans-65.3146.1177.4-67.80000110.8C61 A100C61-C96 HydrophobicContact CB-CB 3.9Å; C61-C96 WeakPolarHBondContact CB-SG 3.37Å; C61-C96 WeakPolarHBondContact SG-CA 2.97Å; C61-C96 WeakPolarHBondContact SG-CB 3.43Å; C61-C96 CovalentContact SG-SG 2.04Å; C61-C96 PolarHBondContact SG-SG 2.81Å; C96-A100 HydrophobicContact CB-CB 3.62Å
97P95.8Very high94.5Very high85 Ų8574.4 Ų74.455%0.55243%0.43SS*.PPolyproline II helixtrans-58.8152.4179.225-34.1000110.9G99 A100P97-G99 PolarHBondContact O-N 3.13Å; P97-A100 HydrophobicContact CG-CB 4.35Å; P97-A100 WeakPolarHBondContact O-CB 3.01Å; P97-A100 PolarHBondContact O-N 3.46Å
98P95Very high94.5Very high137 Ų13772.5 Ų72.589%0.8942%0.421SS*.THydrogen-bonded Turntrans-52.8134.6175.1-25.234000111.4A100P98-A100 VanDerWaalsContact C-N 3.3Å
99G92Very high94.5Very high77 Ų7772.2 Ų72.279%0.79443%0.429SS*.THydrogen-bonded Turntrans805.4-17700000115P97 V101P97-G99 PolarHBondContact O-N 3.13Å; G99-V101 PolarHBondContact O-N 2.88Å
100A92.3Very high94.6Very high48 Ų4872.4 Ų72.440%0.39744%0.436SS..PPolyproline II helixtrans-57.9128.8169.400000110.7C96 P97 P98C96-A100 HydrophobicContact CB-CB 3.62Å; P97-A100 HydrophobicContact CG-CB 4.35Å; P97-A100 WeakPolarHBondContact O-CB 3.01Å; P97-A100 PolarHBondContact O-N 3.46Å; P98-A100 VanDerWaalsContact C-N 3.3Å
101V92.4Very high94.7Very high97 Ų9774 Ų7459%0.58844%0.44SS*.PPolyproline II helixtrans-78.5130.5177.8-179.70000108.8G99 D105 L106G99-V101 PolarHBondContact O-N 2.88Å; V101-D105 HydrophobicContact CG1-CB 3.71Å; V101-L106 HydrophobicContact CG1-CB 4.44Å
102P92.1Very high94.9Very high76 Ų7675.5 Ų75.549%0.49445%0.446SS..PPolyproline II helixtrans-63.3150176.8-14.125.5000111.5R104 D105 L106P102-R104 PolarHBondContact O-N 3.15Å; P102-R104 VanDerWaalsContact O-N 3.15Å; P102-D105 VanDerWaalsContact CB-OD2 3.25Å; P102-D105 WeakPolarHBondContact CB-OD2 3.32Å; P102-D105 WeakPolarHBondContact CG-OD2 2.97Å; P102-D105 WeakPolarHBondContact O-CB 3.42Å; P102-D105 PolarHBondContact O-N 2.87Å; P102-L106 PolarHBondContact O-N 3.32Å; P102-L106 VanDerWaalsContact O-N 3.12Å
103F93.4Very high95Very high86 Ų8669.7 Ų69.738%0.37743%0.431SS..Hα-helixtrans-57.1-35-175.5-98.6-114.6000113.5Q107 T157F103-Q107 VanDerWaalsContact O-CG 3.25Å; F103-Q107 WeakPolarHBondContact O-CG 3.38Å; F103-Q107 PolarHBondContact O-N 2.77Å; F103-Q107 VanDerWaalsContact O-N 3.09Å; F103-Q107 PolarHBondContact O-NE2 3.47Å; F103-T157 HydrophobicContact CB-CG2 4.5Å
104R96.6Very high95.1Very high9 Ų974.2 Ų74.23%0.03444%0.444CS..Hα-helixtrans-71.4-40.8-178.8-164.2178.3-179.3128.7-0.3111.8P102 L106 Q107 C108 P127 F128 H129 Q134 D136 L137 T157 C159P102-R104 PolarHBondContact O-N 3.15Å; P102-R104 VanDerWaalsContact O-N 3.15Å; R104-L106 VanDerWaalsContact C-N 3.34Å; R104-Q107 WeakPolarHBondContact O-CB 3.24Å; R104-Q107 PolarHBondContact O-N 2.9Å; R104-C108 PolarHBondContact O-N 3.09Å; R104-P127 HydrophobicContact CB-CG 4.34Å; R104-P127 HydrophobicContact CG-CB 3.99Å; R104-P127 HydrophobicContact CG-CG 4.12Å; R104-F128 PolarHBondContact NH2-O 2.99Å; R104-F128 VanDerWaalsContact NH2-O 3.12Å; R104-H129 WeakPolarHBondContact CD-CE1 3.38Å; R104-H129 VanDerWaalsContact CZ-CE1 3.48Å; R104-H129 PolarHBondContact NE-CE1 3.48Å; R104-H129 PolarHBondContact NH1-CE1 3Å; R104-H129 PolarHBondContact NH1-ND1 2.02Å; R104-Q134 PolarHBondContact NH1-O 2.77Å; R104-Q134 PolarHBondContact NH2-O 3.44Å; R104-D136 PolarHBondContact NH2-O 3.39Å; R104-D136 VanDerWaalsContact NH2-O 3.12Å; R104-L137 HydrophobicContact CG-CD1 4.33Å; R104-T157 HydrophobicContact CB-CG2 3.69Å; R104-T157 HydrophobicContact CG-CG2 4.17Å; R104-C159 PolarHBondContact NH1-O 2.94Å
105D97.1Very high94.9Very high63 Ų6373.3 Ų73.334%0.33744%0.438SS..Hα-helixtrans-59.8-46.4174.9-59.6-110.2000110.5V101 P102 Q107 C108 A109 P127V101-D105 HydrophobicContact CG1-CB 3.71Å; P102-D105 VanDerWaalsContact CB-OD2 3.25Å; P102-D105 WeakPolarHBondContact CB-OD2 3.32Å; P102-D105 WeakPolarHBondContact CG-OD2 2.97Å; P102-D105 WeakPolarHBondContact O-CB 3.42Å; P102-D105 PolarHBondContact O-N 2.87Å; D105-Q107 VanDerWaalsContact C-N 3.31Å; D105-Q107 PolarHBondContact O-N 2.02Å; D105-C108 PolarHBondContact O-N 2.91Å; D105-A109 VanDerWaalsContact O-CB 3.31Å; D105-A109 WeakPolarHBondContact O-CB 2.96Å; D105-A109 PolarHBondContact O-N 2.87Å; D105-P127 HydrophobicContact CB-CG 4.21Å
106L96Very high94.6Very high95 Ų9567 Ų6750%0.49741%0.405SS..Hα-helixtrans-58.9-43.8175-177.262.8000111.7V101 P102 R104 C108 A109 L110V101-L106 HydrophobicContact CG1-CB 4.44Å; P102-L106 PolarHBondContact O-N 3.32Å; P102-L106 VanDerWaalsContact O-N 3.12Å; R104-L106 VanDerWaalsContact C-N 3.34Å; L106-C108 PolarHBondContact O-N 3.48Å; L106-A109 PolarHBondContact O-N 2.97Å; L106-L110 WeakPolarHBondContact O-CG 3.28Å; L106-L110 PolarHBondContact O-N 2.84Å
107Q97.6Very high94.1Very high10 Ų1072.1 Ų72.15%0.04743%0.428CS..Hα-helixtrans-63.1-40179.5-75.8168.878.800113.1F103 R104 D105 Y111 L137 L154 T157F103-Q107 VanDerWaalsContact O-CG 3.25Å; F103-Q107 WeakPolarHBondContact O-CG 3.38Å; F103-Q107 PolarHBondContact O-N 2.77Å; F103-Q107 VanDerWaalsContact O-N 3.09Å; F103-Q107 PolarHBondContact O-NE2 3.47Å; R104-Q107 WeakPolarHBondContact O-CB 3.24Å; R104-Q107 PolarHBondContact O-N 2.9Å; D105-Q107 VanDerWaalsContact C-N 3.31Å; D105-Q107 PolarHBondContact O-N 2.02Å; Q107-Y111 WeakPolarHBondContact O-CD2 3.41Å; Q107-L137 HydrophobicContact CB-CD1 3.64Å; Q107-L137 HydrophobicContact CB-CD2 3.86Å; Q107-L137 HydrophobicContact CB-CG 4.44Å; Q107-L154 HydrophobicContact CG-CD1 4.29Å; Q107-L154 HydrophobicContact CG-CG 4.49Å; Q107-T157 PolarHBondContact NE2-OG1 3.03Å
108C97.9Very high93.3Very high0 Ų072.2 Ų72.20%044%0.444CS..Hα-helixtrans-66.8-43.5171.7-74.10000111.3R104 D105 L106 L110 Y111 W125 C139R104-C108 PolarHBondContact O-N 3.09Å; D105-C108 PolarHBondContact O-N 2.91Å; L106-C108 PolarHBondContact O-N 3.48Å; C108-L110 PolarHBondContact O-N 2.03Å; C108-L110 VanDerWaalsContact O-N 3.16Å; C108-Y111 PolarHBondContact O-N 2.04Å; C108-W125 HydrophobicContact CB-CB 4.04Å; C108-C139 WeakPolarHBondContact CA-SG 3.48Å; C108-C139 HydrophobicContact CB-CB 3.87Å; C108-C139 WeakPolarHBondContact CB-SG 3.47Å; C108-C139 WeakPolarHBondContact SG-CB 3.04Å; C108-C139 CovalentContact SG-SG 2.04Å; C108-C139 PolarHBondContact SG-SG 2.66Å
109A97.8Very high92.8Very high41 Ų4169 Ų6934%0.33942%0.423SS..Hα-helixtrans-62.1-24.4-178.200000113.7D105 L106 Y111 N112D105-A109 VanDerWaalsContact O-CB 3.31Å; D105-A109 WeakPolarHBondContact O-CB 2.96Å; D105-A109 PolarHBondContact O-N 2.87Å; L106-A109 PolarHBondContact O-N 2.97Å; A109-Y111 PolarHBondContact O-N 3.22Å; A109-Y111 VanDerWaalsContact O-N 3.11Å; A109-N112 VanDerWaalsContact O-CB 3.3Å; A109-N112 WeakPolarHBondContact O-CB 3.12Å; A109-N112 PolarHBondContact O-N 2.96Å
110L96.8Very high92.6Very high101 Ų10174.5 Ų74.553%0.52943%0.427SS..THydrogen-bonded Turntrans-57.1-24.2172.6-71.4174000113.2L106 C108 R114L106-L110 WeakPolarHBondContact O-CG 3.28Å; L106-L110 PolarHBondContact O-N 2.84Å; C108-L110 PolarHBondContact O-N 2.03Å; C108-L110 VanDerWaalsContact O-N 3.16Å; L110-R114 PolarHBondContact O-NE 3.04Å
111Y96.3Very high92.5Very high80 Ų8078.8 Ų78.831%0.31444%0.437SS..THydrogen-bonded Turntrans-97.1-0.6179.6-62.9-84.4000113.7Q107 C108 A109 G113 R114 W125 L137 F150Q107-Y111 WeakPolarHBondContact O-CD2 3.41Å; C108-Y111 PolarHBondContact O-N 2.04Å; A109-Y111 PolarHBondContact O-N 3.22Å; A109-Y111 VanDerWaalsContact O-N 3.11Å; Y111-G113 PolarHBondContact O-N 2.87Å; Y111-R114 WeakPolarHBondContact O-CB 3.21Å; Y111-R114 PolarHBondContact O-N 3.19Å; Y111-W125 VanDerWaalsContact C-CD1 3.5Å; Y111-W125 PolarHBondContact O-NE1 3.38Å; Y111-L137 HydrophobicContact CE2-CD2 4.04Å; Y111-F150 AromaticContact CD1-CD1 3.54Å; Y111-F150 HydrophobicContact CD1-CD1 3.54Å; Y111-F150 AromaticContact CD1-CE1 3.6Å; Y111-F150 HydrophobicContact CD1-CE1 3.6Å; Y111-F150 HydrophobicContact CD1-CG 4.14Å; Y111-F150 HydrophobicContact CD1-CZ 4.24Å; Y111-F150 HydrophobicContact CD2-CB 4.18Å; Y111-F150 HydrophobicContact CD2-CD1 4.08Å; Y111-F150 AromaticContact CD2-CD2 3.96Å; Y111-F150 HydrophobicContact CD2-CD2 3.96Å; Y111-F150 HydrophobicContact CD2-CE1 4.46Å; Y111-F150 HydrophobicContact CD2-CE2 4.34Å; Y111-F150 AromaticContact CD2-CG 3.8Å; Y111-F150 HydrophobicContact CD2-CG 3.8Å; Y111-F150 HydrophobicContact CE1-CB 4.37Å; Y111-F150 AromaticContact CE1-CD1 3.57Å; Y111-F150 HydrophobicContact CE1-CD1 3.57Å; Y111-F150 HydrophobicContact CE1-CE1 4.1Å; Y111-F150 HydrophobicContact CE1-CG 4.11Å; Y111-F150 HydrophobicContact CE2-CB 3.67Å; Y111-F150 HydrophobicContact CE2-CD1 4.11Å; Y111-F150 HydrophobicContact CE2-CD2 4.32Å; Y111-F150 AromaticContact CE2-CG 3.78Å; Y111-F150 HydrophobicContact CE2-CG 3.78Å; Y111-F150 AromaticContact CG-CD1 3.8Å; Y111-F150 HydrophobicContact CG-CD1 3.8Å; Y111-F150 HydrophobicContact CG-CD2 4.17Å; Y111-F150 AromaticContact CG-CE1 3.81Å; Y111-F150 HydrophobicContact CG-CE1 3.81Å; Y111-F150 HydrophobicContact CG-CE2 4.17Å; Y111-F150 AromaticContact CG-CG 3.99Å; Y111-F150 HydrophobicContact CG-CG 3.99Å; Y111-F150 AromaticContact CG-CZ 3.99Å; Y111-F150 HydrophobicContact CG-CZ 3.99Å; Y111-F150 AromaticContact CZ-CD1 3.86Å; Y111-F150 AromaticContact CZ-CG 3.93Å
112N96.7Very high92.7Very high48 Ų4877.8 Ų77.826%0.25743%0.431SS..THydrogen-bonded Turntrans-60.5135.9177.9-71.1-7000111.1A109 R114 Q124 W125A109-N112 VanDerWaalsContact O-CB 3.3Å; A109-N112 WeakPolarHBondContact O-CB 3.12Å; A109-N112 PolarHBondContact O-N 2.96Å; N112-R114 PolarHBondContact O-N 3.48Å; N112-R114 VanDerWaalsContact O-N 3.11Å; N112-Q124 PolarHBondContact ND2-OE1 2.04Å; N112-W125 WeakPolarHBondContact OD1-CB 3.43Å; N112-W125 PolarHBondContact OD1-N 2.89Å
113G94.7Very high92.9Very high43 Ų4375.9 Ų75.944%0.44341%0.414SS..THydrogen-bonded Turntrans69.13.6179.900000114.8Y111 T122 Y123Y111-G113 PolarHBondContact O-N 2.87Å; G113-T122 VanDerWaalsContact O-CG2 3.31Å; G113-T122 WeakPolarHBondContact O-CG2 3.25Å; G113-Y123 PolarHBondContact N-O 2.81Å; G113-Y123 VanDerWaalsContact N-O 3.11Å
114R94Very high93.1Very high151 Ų15176.5 Ų76.557%0.5742%0.418SS*.PPolyproline II helixtrans-93.6139.2174.6-56.7-171.5-171.5-128.4-1.6110.5L110 Y111 N112L110-R114 PolarHBondContact O-NE 3.04Å; Y111-R114 WeakPolarHBondContact O-CB 3.21Å; Y111-R114 PolarHBondContact O-N 3.19Å; N112-R114 PolarHBondContact O-N 3.48Å; N112-R114 VanDerWaalsContact O-N 3.11Å
115P91.8Very high93.1Very high86 Ų8676.4 Ų76.456%0.55842%0.418SS*.BIsolated β-bridgetrans-67136.8176.625.3-31.5000110.9T119 K121P115-T119 WeakPolarHBondContact CB-O 3.47Å; P115-K121 WeakPolarHBondContact CA-O 3.42Å
116V87.5Confident93.2Very high19 Ų1976 Ų7612%0.11542%0.417CS..PPolyproline II helixtrans-77.7139.3175.6-177.70000109.6G118 T119 K121 Y123 W125 H148V116-G118 PolarHBondContact O-N 2.85Å; V116-T119 PolarHBondContact O-N 3.1Å; V116-T119 PolarHBondContact O-OG1 2.96Å; V116-K121 PolarHBondContact N-O 2.78Å; V116-Y123 HydrophobicContact CG2-CD2 3.97Å; V116-Y123 HydrophobicContact CG2-CE2 4.13Å; V116-W125 HydrophobicContact CG2-CH2 3.92Å; V116-W125 HydrophobicContact CG2-CZ2 3.4Å; V116-W125 VanDerWaalsContact CG2-CZ2 3.4Å; V116-H148 VanDerWaalsContact CG1-CD2 3.41Å; V116-H148 WeakPolarHBondContact CG1-CD2 3.08Å
117L81.8Confident93.3Very high162 Ų16272.7 Ų72.785%0.84840%0.402SS*.THydrogen-bonded Turntrans-45.7123.8-179.8-68172.7000111.3
118G80.1Confident93.2Very high88 Ų8875 Ų7591%0.90741%0.412SS*.THydrogen-bonded Turntrans88.7-0.9-178.400000115.7V116V116-G118 PolarHBondContact O-N 2.85Å
119T83Confident93.1Very high70 Ų7077.9 Ų77.943%0.42943%0.425SS..  trans-139.3159.3176.375.50000112.1P115 V116P115-T119 WeakPolarHBondContact CB-O 3.47Å; V116-T119 PolarHBondContact O-N 3.1Å; V116-T119 PolarHBondContact O-OG1 2.96Å
120Q88.4Confident92.9Very high191 Ų19178.9 Ų78.989%0.89344%0.439SS*.SBendtrans-93.23.5169.3-81.7162.7-35.700113.1
121K91.3Very high92.7Very high139 Ų13974.5 Ų74.560%0.60442%0.418SS*.  trans-80.5140.8-179-67.7-172.6177.5-175.80110.4P115 V116 Y123P115-K121 WeakPolarHBondContact CA-O 3.42Å; V116-K121 PolarHBondContact N-O 2.78Å; K121-Y123 HydrophobicContact CB-CE2 3.77Å; K121-Y123 WeakPolarHBondContact CB-OH 3.4Å; K121-Y123 VanDerWaalsContact CD-OH 3.26Å; K121-Y123 WeakPolarHBondContact CD-OH 3.09Å
122T95.4Very high92.6Very high75 Ų7577.1 Ų77.146%0.4644%0.444SS..BIsolated β-bridgetrans-116.1152.5177.863.40000109.3G113G113-T122 VanDerWaalsContact O-CG2 3.31Å; G113-T122 WeakPolarHBondContact O-CG2 3.25Å
123Y96.1Very high92.6Very high36 Ų3677.4 Ų77.414%0.14145%0.446CS..  trans-140.7164.6-175.8-56.1-84.7000110.5G113 V116 K121 W125 A141 H144 F146G113-Y123 PolarHBondContact N-O 2.81Å; G113-Y123 VanDerWaalsContact N-O 3.11Å; V116-Y123 HydrophobicContact CG2-CD2 3.97Å; V116-Y123 HydrophobicContact CG2-CE2 4.13Å; K121-Y123 HydrophobicContact CB-CE2 3.77Å; K121-Y123 WeakPolarHBondContact CB-OH 3.4Å; K121-Y123 VanDerWaalsContact CD-OH 3.26Å; K121-Y123 WeakPolarHBondContact CD-OH 3.09Å; Y123-W125 HydrophobicContact CD2-CH2 4.27Å; Y123-W125 AromaticContact CD2-CZ2 3.79Å; Y123-W125 HydrophobicContact CD2-CZ2 3.79Å; Y123-W125 HydrophobicContact CG-CZ2 4.21Å; Y123-A141 HydrophobicContact CD1-CB 4Å; Y123-A141 HydrophobicContact CG-CB 4.07Å; Y123-H144 AromaticContact CD1-CE1 3.97Å; Y123-H144 AromaticContact CE1-NE2 3.85Å; Y123-F146 HydrophobicContact CD1-CZ 4.15Å; Y123-F146 HydrophobicContact CD2-CZ 4.21Å; Y123-F146 HydrophobicContact CE1-CE1 4.03Å; Y123-F146 AromaticContact CE1-CZ 3.79Å; Y123-F146 HydrophobicContact CE1-CZ 3.79Å; Y123-F146 AromaticContact CE2-CZ 3.85Å; Y123-F146 HydrophobicContact CE2-CZ 3.85Å; Y123-F146 HydrophobicContact CG-CZ 4.34Å; Y123-F146 AromaticContact CZ-CZ 3.63Å
124Q97.7Very high92.6Very high99 Ų9978.9 Ų78.946%0.46344%0.441SS..  trans-95.5137.2161.2-60.6-59.8-34.900108.2N112 E142N112-Q124 PolarHBondContact ND2-OE1 2.04Å; Q124-E142 HydrophobicContact CB-CB 4.19Å; Q124-E142 PolarHBondContact O-N 3.4Å
125W97.9Very high92.8Very high8 Ų871.7 Ų71.73%0.0341%0.414CS..EExtended strand (participates in β ladder)trans-118.3130-170-63.3102.3000110.9C108 Y111 N112 V116 Y123 C139 L140 A141 F146 H148 F150C108-W125 HydrophobicContact CB-CB 4.04Å; Y111-W125 VanDerWaalsContact C-CD1 3.5Å; Y111-W125 PolarHBondContact O-NE1 3.38Å; N112-W125 WeakPolarHBondContact OD1-CB 3.43Å; N112-W125 PolarHBondContact OD1-N 2.89Å; V116-W125 HydrophobicContact CG2-CH2 3.92Å; V116-W125 HydrophobicContact CG2-CZ2 3.4Å; V116-W125 VanDerWaalsContact CG2-CZ2 3.4Å; Y123-W125 HydrophobicContact CD2-CH2 4.27Å; Y123-W125 AromaticContact CD2-CZ2 3.79Å; Y123-W125 HydrophobicContact CD2-CZ2 3.79Å; Y123-W125 HydrophobicContact CG-CZ2 4.21Å; W125-C139 HydrophobicContact CB-CB 3.93Å; W125-C139 HydrophobicContact CD2-CB 4.27Å; W125-C139 HydrophobicContact CE3-CB 3.76Å; W125-C139 VanDerWaalsContact CE3-O 3.26Å; W125-C139 HydrophobicContact CG-CB 4.38Å; W125-C139 VanDerWaalsContact CZ3-O 3.27Å; W125-C139 WeakPolarHBondContact CZ3-O 3.24Å; W125-L140 WeakPolarHBondContact CA-O 3.42Å; W125-A141 HydrophobicContact CE3-CB 4.25Å; W125-A141 HydrophobicContact CH2-CB 4.24Å; W125-A141 HydrophobicContact CZ3-CB 3.88Å; W125-F146 AromaticContact CH2-CE2 3.91Å; W125-F146 HydrophobicContact CH2-CE2 3.91Å; W125-F146 HydrophobicContact CZ3-CE2 4.31Å; W125-H148 HydrophobicContact CH2-CB 3.69Å; W125-H148 HydrophobicContact CZ3-CB 3.74Å; W125-F150 AromaticContact CD2-CE2 3.9Å; W125-F150 HydrophobicContact CD2-CE2 3.9Å; W125-F150 HydrophobicContact CD2-CZ 4.14Å; W125-F150 AromaticContact CE2-CZ 3.78Å; W125-F150 HydrophobicContact CE3-CE2 4.04Å; W125-F150 HydrophobicContact CE3-CZ 4.47Å; W125-F150 HydrophobicContact CG-CE2 4.38Å; W125-F150 HydrophobicContact CH2-CE2 4.44Å; W125-F150 HydrophobicContact CH2-CZ 4.17Å; W125-F150 HydrophobicContact CZ2-CE2 4.35Å; W125-F150 AromaticContact CZ2-CZ 3.83Å; W125-F150 HydrophobicContact CZ2-CZ 3.83Å; W125-F150 HydrophobicContact CZ3-CE2 4.3Å; W125-F150 HydrophobicContact CZ3-CZ 4.47Å
126V97.8Very high93.1Very high53 Ų5369.7 Ų69.732%0.32140%0.399SS..EExtended strand (participates in β ladder)trans-121151.7173.4-61.80000110.3F128 C139 L140V126-F128 PolarHBondContact O-N 3.28Å; V126-C139 CarbonylContact O-C 3.45Å; V126-C139 VanDerWaalsContact O-CA 3.24Å; V126-C139 WeakPolarHBondContact O-CA 3.4Å; V126-L140 HydrophobicContact CG2-CB 4Å; V126-L140 HydrophobicContact CG2-CD2 4.39Å; V126-L140 PolarHBondContact N-O 3.06Å; V126-L140 PolarHBondContact O-N 2.89Å
127P97.9Very high93.6Very high26 Ų2669.1 Ų69.117%0.16940%0.395CS..EExtended strand (participates in β ladder)trans-57.4131.8179.7-2736.4000113.3R104 D105R104-P127 HydrophobicContact CB-CG 4.34Å; R104-P127 HydrophobicContact CG-CB 3.99Å; R104-P127 HydrophobicContact CG-CG 4.12Å; D105-P127 HydrophobicContact CB-CG 4.21Å
128F97.3Very high94.4Very high58 Ų5861.7 Ų61.725%0.25436%0.356SS..  trans-109.6124.6169.9-176.9-112.1000110.2R104 V126 A131 N138 L140 Y147R104-F128 PolarHBondContact NH2-O 2.99Å; R104-F128 VanDerWaalsContact NH2-O 3.12Å; V126-F128 PolarHBondContact O-N 3.28Å; F128-A131 HydrophobicContact CD1-CB 4.29Å; F128-A131 HydrophobicContact CE1-CB 4.24Å; F128-N138 HydrophobicContact CB-CB 4.21Å; F128-N138 HydrophobicContact CD1-CB 4.11Å; F128-N138 PolarHBondContact N-O 3.03Å; F128-L140 HydrophobicContact CB-CB 4.18Å; F128-Y147 AromaticContact CD1-CD1 3.78Å; F128-Y147 HydrophobicContact CD1-CD1 3.78Å; F128-Y147 HydrophobicContact CD1-CD2 4.04Å; F128-Y147 HydrophobicContact CD1-CE1 4.18Å; F128-Y147 HydrophobicContact CD1-CE2 4.42Å; F128-Y147 AromaticContact CD1-CG 3.71Å; F128-Y147 HydrophobicContact CD1-CG 3.71Å; F128-Y147 AromaticContact CE1-CD1 3.62Å; F128-Y147 HydrophobicContact CE1-CD1 3.62Å; F128-Y147 HydrophobicContact CE1-CD2 4.5Å; F128-Y147 AromaticContact CE1-CE1 3.69Å; F128-Y147 HydrophobicContact CE1-CE1 3.69Å; F128-Y147 HydrophobicContact CE1-CG 4.05Å; F128-Y147 HydrophobicContact CG-CG 4.31Å; F128-Y147 HydrophobicContact CZ-CD1 4.25Å; F128-Y147 HydrophobicContact CZ-CE1 4.42Å
129H95.4Very high95.2Very high62 Ų6257.5 Ų57.529%0.28731%0.313SS..  trans-107.9-0.3-177.8-66.6-83.2000113.8R104 A131 C159R104-H129 WeakPolarHBondContact CD-CE1 3.38Å; R104-H129 VanDerWaalsContact CZ-CE1 3.48Å; R104-H129 PolarHBondContact NE-CE1 3.48Å; R104-H129 PolarHBondContact NH1-CE1 3Å; R104-H129 PolarHBondContact NH1-ND1 2.02Å; H129-A131 VanDerWaalsContact C-N 3.29Å; H129-A131 PolarHBondContact O-N 3.32Å; H129-C159 PolarHBondContact ND1-O 3.43Å
130G93.2Very high95.9Very high61 Ų6156.8 Ų56.863%0.62931%0.306SS*.  trans-82.10.3-178.300000115.1
131A93.1Very high96.3Very high10 Ų1047.7 Ų47.78%0.08326%0.264CS..SBendtrans-80.1153.3179.400000111.8F128 H129 N133 N138F128-A131 HydrophobicContact CD1-CB 4.29Å; F128-A131 HydrophobicContact CE1-CB 4.24Å; H129-A131 VanDerWaalsContact C-N 3.29Å; H129-A131 PolarHBondContact O-N 3.32Å; A131-N133 PolarHBondContact O-N 2.96Å; A131-N138 HydrophobicContact CB-CB 4.17Å; A131-N138 WeakPolarHBondContact CB-ND2 3.41Å
132P93.1Very high96.6Very high134 Ų13446.9 Ų46.987%0.8726%0.262SS*.SBendtrans-57.6-42.6-175.4-26.534.5000114.3
133N96.1Very high96.6Very high54 Ų5447.3 Ų47.329%0.28928%0.281SS..  trans-96.4111.4174.2-173.32.8000110.4A131 C135 D136 G170A131-N133 PolarHBondContact O-N 2.96Å; N133-C135 PolarHBondContact O-N 3.43Å; N133-C135 PolarHBondContact OD1-N 3.29Å; N133-D136 HydrophobicContact CB-CB 4.47Å; N133-D136 WeakPolarHBondContact CB-OD2 3.26Å; N133-D136 PolarHBondContact ND2-OD1 3.23Å; N133-D136 PolarHBondContact ND2-OD2 3.18Å; N133-D136 PolarHBondContact O-N 3.13Å; N133-G170 PolarHBondContact ND2-O 3.32Å; N133-G170 PolarHBondContact OD1-O 3Å
134Q96.4Very high96.5Very high74 Ų7450.2 Ų50.235%0.34630%0.296SS..THydrogen-bonded Turntrans-64.5-21.3179.4-66.4172.452.100112.9R104 C159R104-Q134 PolarHBondContact NH1-O 2.77Å; R104-Q134 PolarHBondContact NH2-O 3.44Å; Q134-C159 HydrophobicContact CB-CB 4.11Å
135C97.6Very high96.4Very high0 Ų050.8 Ų50.80%032%0.318CS..THydrogen-bonded Turntrans-98.97.6-177.3-63.30000114.4N133 R152 V153 C167 G170 R171 C172N133-C135 PolarHBondContact O-N 3.43Å; N133-C135 PolarHBondContact OD1-N 3.29Å; C135-R152 WeakPolarHBondContact O-CA 3.05Å; C135-V153 HydrophobicContact CB-CG2 4.27Å; C135-V153 PolarHBondContact O-N 3.38Å; C135-C167 WeakPolarHBondContact CA-SG 3.13Å; C135-C167 HydrophobicContact CB-CB 3.65Å; C135-C167 WeakPolarHBondContact CB-SG 3.36Å; C135-C167 WeakPolarHBondContact SG-CA 3.47Å; C135-C167 WeakPolarHBondContact SG-CB 3.28Å; C135-C167 CovalentContact SG-SG 2.04Å; C135-C167 PolarHBondContact SG-SG 2.73Å; C135-G170 WeakPolarHBondContact CB-O 3.43Å; C135-R171 PolarHBondContact SG-O 2.81Å; C135-C172 VanDerWaalsContact SG-CA 3.59Å; C135-C172 PolarHBondContact SG-N 2.95Å
136D97.9Very high96.2Very high45 Ų4554 Ų5424%0.24133%0.332CS..EExtended strand (participates in β ladder)trans-84.7138.8161.9-66.9-19.7000109.4R104 N133 N138 G151R104-D136 PolarHBondContact NH2-O 3.39Å; R104-D136 VanDerWaalsContact NH2-O 3.12Å; N133-D136 HydrophobicContact CB-CB 4.47Å; N133-D136 WeakPolarHBondContact CB-OD2 3.26Å; N133-D136 PolarHBondContact ND2-OD1 3.23Å; N133-D136 PolarHBondContact ND2-OD2 3.18Å; N133-D136 PolarHBondContact O-N 3.13Å; D136-N138 WeakPolarHBondContact CB-ND2 3.42Å; D136-N138 PolarHBondContact O-N 2.89Å; D136-N138 PolarHBondContact O-ND2 3.47Å; D136-G151 CarbonylContact C-O 3.6Å; D136-G151 VanDerWaalsContact CA-O 3.29Å; D136-G151 WeakPolarHBondContact CA-O 2.98Å
137L98.1Very high96.1Very high6 Ų656.7 Ų56.73%0.03134%0.337CS..EExtended strand (participates in β ladder)trans-77.273177.7-174.863.5000109.4R104 Q107 Y111 S149 F150 G151 V153R104-L137 HydrophobicContact CG-CD1 4.33Å; Q107-L137 HydrophobicContact CB-CD1 3.64Å; Q107-L137 HydrophobicContact CB-CD2 3.86Å; Q107-L137 HydrophobicContact CB-CG 4.44Å; Y111-L137 HydrophobicContact CE2-CD2 4.04Å; L137-S149 WeakPolarHBondContact O-CA 3.3Å; L137-F150 HydrophobicContact CB-CB 4.45Å; L137-F150 HydrophobicContact CD2-CB 3.88Å; L137-F150 HydrophobicContact CG-CB 4.22Å; L137-F150 PolarHBondContact O-N 3.21Å; L137-G151 PolarHBondContact N-O 2.68Å; L137-V153 HydrophobicContact CB-CG1 3.95Å; L137-V153 HydrophobicContact CD1-CG1 3.98Å
138N97.7Very high95.9Very high7 Ų758 Ų584%0.03734%0.341CS..EExtended strand (participates in β ladder)trans-83.1124171.9-61.6-71.9000108.9F128 A131 D136 Y147 H148 S149F128-N138 HydrophobicContact CB-CB 4.21Å; F128-N138 HydrophobicContact CD1-CB 4.11Å; F128-N138 PolarHBondContact N-O 3.03Å; A131-N138 HydrophobicContact CB-CB 4.17Å; A131-N138 WeakPolarHBondContact CB-ND2 3.41Å; D136-N138 WeakPolarHBondContact CB-ND2 3.42Å; D136-N138 PolarHBondContact O-N 2.89Å; D136-N138 PolarHBondContact O-ND2 3.47Å; N138-Y147 HydrophobicContact CB-CD2 3.89Å; N138-Y147 HydrophobicContact CB-CE2 4.24Å; N138-Y147 WeakPolarHBondContact OD1-CE2 3.34Å; N138-H148 WeakPolarHBondContact CA-O 3.09Å; N138-S149 WeakPolarHBondContact OD1-CB 3.35Å
139C97.8Very high95.9Very high0 Ų057.6 Ų57.60%035%0.346CS..EExtended strand (participates in β ladder)trans-124.8128179.4-52.70000110C108 W125 V126 Y147 H148 F150C108-C139 WeakPolarHBondContact CA-SG 3.48Å; C108-C139 HydrophobicContact CB-CB 3.87Å; C108-C139 WeakPolarHBondContact CB-SG 3.47Å; C108-C139 WeakPolarHBondContact SG-CB 3.04Å; C108-C139 CovalentContact SG-SG 2.04Å; C108-C139 PolarHBondContact SG-SG 2.66Å; W125-C139 HydrophobicContact CB-CB 3.93Å; W125-C139 HydrophobicContact CD2-CB 4.27Å; W125-C139 HydrophobicContact CE3-CB 3.76Å; W125-C139 VanDerWaalsContact CE3-O 3.26Å; W125-C139 HydrophobicContact CG-CB 4.38Å; W125-C139 VanDerWaalsContact CZ3-O 3.27Å; W125-C139 WeakPolarHBondContact CZ3-O 3.24Å; V126-C139 CarbonylContact O-C 3.45Å; V126-C139 VanDerWaalsContact O-CA 3.24Å; V126-C139 WeakPolarHBondContact O-CA 3.4Å; C139-Y147 CarbonylContact O-C 3.51Å; C139-Y147 WeakPolarHBondContact O-CA 3.38Å; C139-Y147 VanDerWaalsContact O-CB 3.28Å; C139-Y147 WeakPolarHBondContact O-CB 2.96Å; C139-H148 PolarHBondContact N-O 3.22Å; C139-H148 PolarHBondContact O-N 2.95Å; C139-F150 HydrophobicContact CB-CD2 4.13Å; C139-F150 HydrophobicContact CB-CE2 4Å
140L97.6Very high95.9Very high55 Ų5556.7 Ų56.729%0.28834%0.341SS..EExtended strand (participates in β ladder)trans-79.8134.7175.4-176.374.4000109.2W125 V126 F128 E142 F146W125-L140 WeakPolarHBondContact CA-O 3.42Å; V126-L140 HydrophobicContact CG2-CB 4Å; V126-L140 HydrophobicContact CG2-CD2 4.39Å; V126-L140 PolarHBondContact N-O 3.06Å; V126-L140 PolarHBondContact O-N 2.89Å; F128-L140 HydrophobicContact CB-CB 4.18Å; L140-E142 PolarHBondContact O-N 3.5Å; L140-F146 WeakPolarHBondContact CD1-O 3.28Å
141A97.1Very high96Very high0 Ų055.5 Ų55.50%033%0.329CS..EExtended strand (participates in β ladder)trans-74.4117.5170.400000109.2Y123 W125 G143 H144 F146Y123-A141 HydrophobicContact CD1-CB 4Å; Y123-A141 HydrophobicContact CG-CB 4.07Å; W125-A141 HydrophobicContact CE3-CB 4.25Å; W125-A141 HydrophobicContact CH2-CB 4.24Å; W125-A141 HydrophobicContact CZ3-CB 3.88Å; A141-G143 PolarHBondContact O-N 3.07Å; A141-H144 HydrophobicContact CB-CB 3.93Å; A141-H144 WeakPolarHBondContact O-CB 3.32Å; A141-H144 PolarHBondContact O-N 2.85Å; A141-F146 HydrophobicContact CB-CD1 4.4Å; A141-F146 HydrophobicContact CB-CE1 3.81Å; A141-F146 HydrophobicContact CB-CE2 3.93Å; A141-F146 HydrophobicContact CB-CZ 3.53Å; A141-F146 PolarHBondContact N-O 3.22Å
142E97.2Very high96.2Very high121 Ų12163.2 Ų63.257%0.56536%0.355SS*.THydrogen-bonded Turntrans-59133.4-176.9-168.5173.3-133.500110.9Q124 L140 H144Q124-E142 HydrophobicContact CB-CB 4.19Å; Q124-E142 PolarHBondContact O-N 3.4Å; L140-E142 PolarHBondContact O-N 3.5Å; E142-H144 PolarHBondContact O-N 2.82Å; E142-H144 PolarHBondContact O-ND1 3.39Å
143G95.8Very high96.4Very high84 Ų8457.1 Ų57.187%0.86632%0.316SS*.THydrogen-bonded Turntrans73.85.7-174.600000115.3A141A141-G143 PolarHBondContact O-N 3.07Å
144H94.6Very high96.4Very high97 Ų9759.6 Ų59.645%0.44933%0.329SS..SBendtrans-128.9156.1-177.9-6075.8000111.9Y123 A141 E142 F146Y123-H144 AromaticContact CD1-CE1 3.97Å; Y123-H144 AromaticContact CE1-NE2 3.85Å; A141-H144 HydrophobicContact CB-CB 3.93Å; A141-H144 WeakPolarHBondContact O-CB 3.32Å; A141-H144 PolarHBondContact O-N 2.85Å; E142-H144 PolarHBondContact O-N 2.82Å; E142-H144 PolarHBondContact O-ND1 3.39Å; H144-F146 VanDerWaalsContact C-N 3.34Å; H144-F146 HydrophobicContact CB-CD1 3.79Å; H144-F146 HydrophobicContact CB-CE1 3.65Å; H144-F146 PolarHBondContact O-N 3.46Å
145A94.3Very high96.3Very high111 Ų11159.2 Ų59.292%0.91733%0.329SS*.SBendtrans-95.536.4-17600000113.3
146F94.1Very high96Very high77 Ų7759.7 Ų59.734%0.33833%0.333SS..  trans-143.8150.5176.375.5-86.8000111.3Y123 W125 L140 A141 H144Y123-F146 HydrophobicContact CD1-CZ 4.15Å; Y123-F146 HydrophobicContact CD2-CZ 4.21Å; Y123-F146 HydrophobicContact CE1-CE1 4.03Å; Y123-F146 AromaticContact CE1-CZ 3.79Å; Y123-F146 HydrophobicContact CE1-CZ 3.79Å; Y123-F146 AromaticContact CE2-CZ 3.85Å; Y123-F146 HydrophobicContact CE2-CZ 3.85Å; Y123-F146 HydrophobicContact CG-CZ 4.34Å; Y123-F146 AromaticContact CZ-CZ 3.63Å; W125-F146 AromaticContact CH2-CE2 3.91Å; W125-F146 HydrophobicContact CH2-CE2 3.91Å; W125-F146 HydrophobicContact CZ3-CE2 4.31Å; L140-F146 WeakPolarHBondContact CD1-O 3.28Å; A141-F146 HydrophobicContact CB-CD1 4.4Å; A141-F146 HydrophobicContact CB-CE1 3.81Å; A141-F146 HydrophobicContact CB-CE2 3.93Å; A141-F146 HydrophobicContact CB-CZ 3.53Å; A141-F146 PolarHBondContact N-O 3.22Å; H144-F146 VanDerWaalsContact C-N 3.34Å; H144-F146 HydrophobicContact CB-CD1 3.79Å; H144-F146 HydrophobicContact CB-CE1 3.65Å; H144-F146 PolarHBondContact O-N 3.46Å
147Y95.4Very high95.9Very high108 Ų10857.6 Ų57.642%0.42432%0.323SS..EExtended strand (participates in β ladder)trans-117.1157.9171.371.7-89.2000110.1F128 N138 C139F128-Y147 AromaticContact CD1-CD1 3.78Å; F128-Y147 HydrophobicContact CD1-CD1 3.78Å; F128-Y147 HydrophobicContact CD1-CD2 4.04Å; F128-Y147 HydrophobicContact CD1-CE1 4.18Å; F128-Y147 HydrophobicContact CD1-CE2 4.42Å; F128-Y147 AromaticContact CD1-CG 3.71Å; F128-Y147 HydrophobicContact CD1-CG 3.71Å; F128-Y147 AromaticContact CE1-CD1 3.62Å; F128-Y147 HydrophobicContact CE1-CD1 3.62Å; F128-Y147 HydrophobicContact CE1-CD2 4.5Å; F128-Y147 AromaticContact CE1-CE1 3.69Å; F128-Y147 HydrophobicContact CE1-CE1 3.69Å; F128-Y147 HydrophobicContact CE1-CG 4.05Å; F128-Y147 HydrophobicContact CG-CG 4.31Å; F128-Y147 HydrophobicContact CZ-CD1 4.25Å; F128-Y147 HydrophobicContact CZ-CE1 4.42Å; N138-Y147 HydrophobicContact CB-CD2 3.89Å; N138-Y147 HydrophobicContact CB-CE2 4.24Å; N138-Y147 WeakPolarHBondContact OD1-CE2 3.34Å; C139-Y147 CarbonylContact O-C 3.51Å; C139-Y147 WeakPolarHBondContact O-CA 3.38Å; C139-Y147 VanDerWaalsContact O-CB 3.28Å; C139-Y147 WeakPolarHBondContact O-CB 2.96Å
148H95.1Very high95.8Very high54 Ų5459.6 Ų59.625%0.2534%0.34CS..EExtended strand (participates in β ladder)trans-123.2142.8173.2-171-70.2000109.3V116 W125 N138 C139 F150V116-H148 VanDerWaalsContact CG1-CD2 3.41Å; V116-H148 WeakPolarHBondContact CG1-CD2 3.08Å; W125-H148 HydrophobicContact CH2-CB 3.69Å; W125-H148 HydrophobicContact CZ3-CB 3.74Å; N138-H148 WeakPolarHBondContact CA-O 3.09Å; C139-H148 PolarHBondContact N-O 3.22Å; C139-H148 PolarHBondContact O-N 2.95Å; H148-F150 HydrophobicContact CB-CE2 4.15Å; H148-F150 HydrophobicContact CB-CZ 4.12Å; H148-F150 AromaticContact ND1-CD1 3.74Å; H148-F150 AromaticContact ND1-CE1 3.61Å; H148-F150 AromaticContact ND1-CZ 3.83Å
149S95.7Very high95.7Very high50 Ų5059.2 Ų59.235%0.3534%0.338SS..EExtended strand (participates in β ladder)trans-94.2121.5173.3-178.80000110.5L137 N138L137-S149 WeakPolarHBondContact O-CA 3.3Å; N138-S149 WeakPolarHBondContact OD1-CB 3.35Å
150F95.7Very high95.5Very high42 Ų4260.9 Ų60.918%0.18435%0.349CS..EExtended strand (participates in β ladder)trans-99.120.8178.3-66.5-71.8000112.9Y111 W125 L137 C139 H148Y111-F150 AromaticContact CD1-CD1 3.54Å; Y111-F150 HydrophobicContact CD1-CD1 3.54Å; Y111-F150 AromaticContact CD1-CE1 3.6Å; Y111-F150 HydrophobicContact CD1-CE1 3.6Å; Y111-F150 HydrophobicContact CD1-CG 4.14Å; Y111-F150 HydrophobicContact CD1-CZ 4.24Å; Y111-F150 HydrophobicContact CD2-CB 4.18Å; Y111-F150 HydrophobicContact CD2-CD1 4.08Å; Y111-F150 AromaticContact CD2-CD2 3.96Å; Y111-F150 HydrophobicContact CD2-CD2 3.96Å; Y111-F150 HydrophobicContact CD2-CE1 4.46Å; Y111-F150 HydrophobicContact CD2-CE2 4.34Å; Y111-F150 AromaticContact CD2-CG 3.8Å; Y111-F150 HydrophobicContact CD2-CG 3.8Å; Y111-F150 HydrophobicContact CE1-CB 4.37Å; Y111-F150 AromaticContact CE1-CD1 3.57Å; Y111-F150 HydrophobicContact CE1-CD1 3.57Å; Y111-F150 HydrophobicContact CE1-CE1 4.1Å; Y111-F150 HydrophobicContact CE1-CG 4.11Å; Y111-F150 HydrophobicContact CE2-CB 3.67Å; Y111-F150 HydrophobicContact CE2-CD1 4.11Å; Y111-F150 HydrophobicContact CE2-CD2 4.32Å; Y111-F150 AromaticContact CE2-CG 3.78Å; Y111-F150 HydrophobicContact CE2-CG 3.78Å; Y111-F150 AromaticContact CG-CD1 3.8Å; Y111-F150 HydrophobicContact CG-CD1 3.8Å; Y111-F150 HydrophobicContact CG-CD2 4.17Å; Y111-F150 AromaticContact CG-CE1 3.81Å; Y111-F150 HydrophobicContact CG-CE1 3.81Å; Y111-F150 HydrophobicContact CG-CE2 4.17Å; Y111-F150 AromaticContact CG-CG 3.99Å; Y111-F150 HydrophobicContact CG-CG 3.99Å; Y111-F150 AromaticContact CG-CZ 3.99Å; Y111-F150 HydrophobicContact CG-CZ 3.99Å; Y111-F150 AromaticContact CZ-CD1 3.86Å; Y111-F150 AromaticContact CZ-CG 3.93Å; W125-F150 AromaticContact CD2-CE2 3.9Å; W125-F150 HydrophobicContact CD2-CE2 3.9Å; W125-F150 HydrophobicContact CD2-CZ 4.14Å; W125-F150 AromaticContact CE2-CZ 3.78Å; W125-F150 HydrophobicContact CE3-CE2 4.04Å; W125-F150 HydrophobicContact CE3-CZ 4.47Å; W125-F150 HydrophobicContact CG-CE2 4.38Å; W125-F150 HydrophobicContact CH2-CE2 4.44Å; W125-F150 HydrophobicContact CH2-CZ 4.17Å; W125-F150 HydrophobicContact CZ2-CE2 4.35Å; W125-F150 AromaticContact CZ2-CZ 3.83Å; W125-F150 HydrophobicContact CZ2-CZ 3.83Å; W125-F150 HydrophobicContact CZ3-CE2 4.3Å; W125-F150 HydrophobicContact CZ3-CZ 4.47Å; L137-F150 HydrophobicContact CB-CB 4.45Å; L137-F150 HydrophobicContact CD2-CB 3.88Å; L137-F150 HydrophobicContact CG-CB 4.22Å; L137-F150 PolarHBondContact O-N 3.21Å; C139-F150 HydrophobicContact CB-CD2 4.13Å; C139-F150 HydrophobicContact CB-CE2 4Å; H148-F150 HydrophobicContact CB-CE2 4.15Å; H148-F150 HydrophobicContact CB-CZ 4.12Å; H148-F150 AromaticContact ND1-CD1 3.74Å; H148-F150 AromaticContact ND1-CE1 3.61Å; H148-F150 AromaticContact ND1-CZ 3.83Å
151G96.1Very high95.2Very high36 Ų3663.1 Ų63.137%0.37137%0.367SS..EExtended strand (participates in β ladder)trans102.8-139.9-179.200000111.9D136 L137D136-G151 CarbonylContact C-O 3.6Å; D136-G151 VanDerWaalsContact CA-O 3.29Å; D136-G151 WeakPolarHBondContact CA-O 2.98Å; L137-G151 PolarHBondContact N-O 2.68Å
152R97.7Very high94.8Very high172 Ų17267.1 Ų67.165%0.64941%0.409SS*.EExtended strand (participates in β ladder)trans-99.9147.6-179.7-66.2177.2-175.8171.83.6110.8C135C135-R152 WeakPolarHBondContact O-CA 3.05Å
153V97.4Very high94.5Very high6 Ų662.6 Ų62.64%0.03639%0.392CS..PPolyproline II helixtrans-68.9155.5169.2-54.50000110.5C135 L137 T157 C167C135-V153 HydrophobicContact CB-CG2 4.27Å; C135-V153 PolarHBondContact O-N 3.38Å; L137-V153 HydrophobicContact CB-CG1 3.95Å; L137-V153 HydrophobicContact CD1-CG1 3.98Å; V153-T157 HydrophobicContact CB-CG2 4.06Å; V153-T157 HydrophobicContact CG1-CG2 4.39Å; V153-T157 HydrophobicContact CG2-CG2 4.15Å; V153-C167 HydrophobicContact CG2-CB 3.29Å; V153-C167 VanDerWaalsContact CG2-SG 3.52Å
154L94.6Very high94.2Very high107 Ų10766.1 Ų66.156%0.5639%0.386SS*.PPolyproline II helixtrans-64144.9173.3-66174.7000111.4Q107 G156 T157Q107-L154 HydrophobicContact CG-CD1 4.29Å; Q107-L154 HydrophobicContact CG-CG 4.49Å; L154-G156 PolarHBondContact O-N 3.37Å; L154-T157 VanDerWaalsContact O-CB 3.24Å; L154-T157 WeakPolarHBondContact O-CB 3.15Å; L154-T157 PolarHBondContact O-N 3.35Å; L154-T157 PolarHBondContact O-OG1 3.16Å
155D94.1Very high94.2Very high66 Ų6661.6 Ų61.635%0.35337%0.366SS..THydrogen-bonded Turntrans-58.7132.2178.7-74.5-5.2000111.5C167 V168 A169D155-C167 CarbonylContact C-O 3.56Å; D155-C167 VanDerWaalsContact CA-O 3.28Å; D155-C167 WeakPolarHBondContact CA-O 3.49Å; D155-V168 WeakPolarHBondContact OD1-CA 3.38Å; D155-A169 PolarHBondContact OD1-N 2.99Å
156G93.1Very high94.3Very high9 Ų956.4 Ų56.49%0.09332%0.322CS..THydrogen-bonded Turntrans91.9-5.7-173.600000115.2V65 L154 A158 C167V65-G156 VanDerWaalsContact CG2-CA 3.45Å; L154-G156 PolarHBondContact O-N 3.37Å; G156-A158 PolarHBondContact O-N 2.8Å; G156-C167 PolarHBondContact N-O 2.6Å
157T95.2Very high94.4Very high2 Ų252.8 Ų52.81%0.01231%0.306CS..  trans-63.1133.3168.8-54.20000109.9F103 R104 Q107 V153 L154 V166 C167F103-T157 HydrophobicContact CB-CG2 4.5Å; R104-T157 HydrophobicContact CB-CG2 3.69Å; R104-T157 HydrophobicContact CG-CG2 4.17Å; Q107-T157 PolarHBondContact NE2-OG1 3.03Å; V153-T157 HydrophobicContact CB-CG2 4.06Å; V153-T157 HydrophobicContact CG1-CG2 4.39Å; V153-T157 HydrophobicContact CG2-CG2 4.15Å; L154-T157 VanDerWaalsContact O-CB 3.24Å; L154-T157 WeakPolarHBondContact O-CB 3.15Å; L154-T157 PolarHBondContact O-N 3.35Å; L154-T157 PolarHBondContact O-OG1 3.16Å; T157-V166 CarbonylContact O-C 3.51Å; T157-V166 WeakPolarHBondContact O-CA 3.43Å; T157-C167 WeakPolarHBondContact O-CB 3.47Å; T157-C167 PolarHBondContact O-N 2.02Å
158A94.8Very high94.4Very high47 Ų4747.7 Ų47.739%0.38829%0.287SS..BIsolated β-bridgetrans-60.6140.5175.100000111.5G156G156-A158 PolarHBondContact O-N 2.8Å
159C95.5Very high94.3Very high0 Ų047.8 Ų47.80%030%0.297CS..SBendtrans-66.6-45.2-176.8-51.40000112.4R104 H129 Q134 G165 V166 C172R104-C159 PolarHBondContact NH1-O 2.94Å; H129-C159 PolarHBondContact ND1-O 3.43Å; Q134-C159 HydrophobicContact CB-CB 4.11Å; C159-G165 PolarHBondContact N-O 2.94Å; C159-G165 PolarHBondContact SG-O 3.42Å; C159-V166 VanDerWaalsContact SG-C 3.52Å; C159-C172 HydrophobicContact CB-CB 3.82Å; C159-C172 WeakPolarHBondContact CB-SG 3.42Å; C159-C172 WeakPolarHBondContact SG-CA 3.31Å; C159-C172 WeakPolarHBondContact SG-CB 3.4Å; C159-C172 CovalentContact SG-SG 2.02Å; C159-C172 PolarHBondContact SG-SG 2.9Å
160S94.1Very high94.3Very high34 Ų3445.8 Ų45.824%0.23828%0.284CS..SBendtrans-147.4163.8176.971.40000110.2G162 A163S160-G162 PolarHBondContact O-N 2.9Å; S160-A163 WeakPolarHBondContact O-CB 3.44Å; S160-A163 PolarHBondContact O-N 2.94Å; S160-A163 VanDerWaalsContact O-N 3.12Å; S160-A163 WeakPolarHBondContact OG-CB 3.38Å
161P92.6Very high94.3Very high102 Ų10252.2 Ų52.266%0.66231%0.307SS*.THydrogen-bonded Turntrans-56.6128.4174.2-22.935.4000109.9A163P161-A163 PolarHBondContact O-N 3.49Å
162G89Confident94.3Very high85 Ų8553 Ų5388%0.87631%0.306SS*.THydrogen-bonded Turntrans75.7-4.1-179.900000116.3S160S160-G162 PolarHBondContact O-N 2.9Å
163A90Very high94.2Very high26 Ų2645.9 Ų45.922%0.21528%0.281CS..  trans-66145.8175.300000111.9R63 S160 P161R63-A163 PolarHBondContact NH1-O 3.37Å; S160-A163 WeakPolarHBondContact O-CB 3.44Å; S160-A163 PolarHBondContact O-N 2.94Å; S160-A163 VanDerWaalsContact O-N 3.12Å; S160-A163 WeakPolarHBondContact OG-CB 3.38Å; P161-A163 PolarHBondContact O-N 3.49Å
164Q90.1Very high94.1Very high158 Ų15848.8 Ų48.874%0.73830%0.301SS*.SBendtrans-76.4-29.2169.9-63.2-170.74.400111.8R63R63-Q164 PolarHBondContact NH1-O 3.3Å; R63-Q164 VanDerWaalsContact NH1-O 3.13Å
165G94.1Very high94.2Very high2 Ų245.9 Ų45.92%0.02129%0.293CS..  trans-74.7157.5-17900000114.7C159 L173C159-G165 PolarHBondContact N-O 2.94Å; C159-G165 PolarHBondContact SG-O 3.42Å; G165-L173 CarbonylContact C-O 3.49Å; G165-L173 WeakPolarHBondContact CA-O 3.48Å
166V95.7Very high94.2Very high2 Ų243.4 Ų43.41%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-128.7152.4176.6-65.60000110.4V65 L90 T157 C159 V168 L173 L181V65-V166 HydrophobicContact CG2-CB 4.33Å; V65-V166 HydrophobicContact CG2-CG2 3.58Å; L90-V166 HydrophobicContact CD2-CG1 3.93Å; L90-V166 HydrophobicContact CD2-CG2 3.71Å; T157-V166 CarbonylContact O-C 3.51Å; T157-V166 WeakPolarHBondContact O-CA 3.43Å; C159-V166 VanDerWaalsContact SG-C 3.52Å; V166-V168 HydrophobicContact CG2-CG2 4.36Å; V166-L173 PolarHBondContact N-O 2.97Å; V166-L173 PolarHBondContact O-N 2.94Å; V166-L181 HydrophobicContact CG2-CD1 3.67Å; V166-L181 HydrophobicContact CG2-CD2 3.81Å; V166-L181 HydrophobicContact CG2-CG 4.42Å
167C96.3Very high94.3Very high0 Ų045 Ų450%029%0.292CS..EExtended strand (participates in β ladder)trans-78.3128.2177.7-69.70000110.7C135 V153 D155 G156 T157 R171C135-C167 WeakPolarHBondContact CA-SG 3.13Å; C135-C167 HydrophobicContact CB-CB 3.65Å; C135-C167 WeakPolarHBondContact CB-SG 3.36Å; C135-C167 WeakPolarHBondContact SG-CA 3.47Å; C135-C167 WeakPolarHBondContact SG-CB 3.28Å; C135-C167 CovalentContact SG-SG 2.04Å; C135-C167 PolarHBondContact SG-SG 2.73Å; V153-C167 HydrophobicContact CG2-CB 3.29Å; V153-C167 VanDerWaalsContact CG2-SG 3.52Å; D155-C167 CarbonylContact C-O 3.56Å; D155-C167 VanDerWaalsContact CA-O 3.28Å; D155-C167 WeakPolarHBondContact CA-O 3.49Å; G156-C167 PolarHBondContact N-O 2.6Å; T157-C167 WeakPolarHBondContact O-CB 3.47Å; T157-C167 PolarHBondContact O-N 2.02Å; C167-R171 WeakPolarHBondContact CA-O 3.38Å
168V95.6Very high94.3Very high2 Ų248.3 Ų48.31%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-140.9127.8174.5176.80000108.1V65 Y88 D155 V166 G170 R171 L173 L181V65-V168 HydrophobicContact CG1-CG2 4.24Å; V65-V168 HydrophobicContact CG2-CG2 4.13Å; Y88-V168 HydrophobicContact CD1-CG1 3.35Å; Y88-V168 HydrophobicContact CD1-CG2 4.39Å; Y88-V168 HydrophobicContact CD2-CG1 3.89Å; Y88-V168 HydrophobicContact CE1-CG1 3.28Å; Y88-V168 HydrophobicContact CE2-CG1 3.83Å; Y88-V168 HydrophobicContact CG-CG1 3.68Å; D155-V168 WeakPolarHBondContact OD1-CA 3.38Å; V166-V168 HydrophobicContact CG2-CG2 4.36Å; V168-G170 PolarHBondContact O-N 2.87Å; V168-G170 VanDerWaalsContact O-N 3.07Å; V168-R171 PolarHBondContact N-O 2.93Å; V168-R171 PolarHBondContact O-N 3.48Å; V168-L173 HydrophobicContact CB-CD1 3.87Å; V168-L173 HydrophobicContact CB-CG 4.38Å; V168-L173 HydrophobicContact CG1-CD1 4.28Å; V168-L173 HydrophobicContact CG2-CD1 4.46Å; V168-L181 HydrophobicContact CG2-CD1 4.25Å
169A92.7Very high94.2Very high56 Ų5647.9 Ų47.946%0.46331%0.31SS..THydrogen-bonded Turntrans51.932.6-179.100000113.6D155D155-A169 PolarHBondContact OD1-N 2.99Å
170G95.3Very high94.2Very high7 Ų749.7 Ų49.77%0.07232%0.319CS..THydrogen-bonded Turntrans79.311-179.700000115.6N133 C135 V168N133-G170 PolarHBondContact ND2-O 3.32Å; N133-G170 PolarHBondContact OD1-O 3Å; C135-G170 WeakPolarHBondContact CB-O 3.43Å; V168-G170 PolarHBondContact O-N 2.87Å; V168-G170 VanDerWaalsContact O-N 3.07Å
171R96.1Very high94.4Very high177 Ų17748.6 Ų48.667%0.66831%0.311SS*.EExtended strand (participates in β ladder)trans-120.1144.3176.3-63.1176.866.4-161.2-0.4110.6C135 C167 V168 L173C135-R171 PolarHBondContact SG-O 2.81Å; C167-R171 WeakPolarHBondContact CA-O 3.38Å; V168-R171 PolarHBondContact N-O 2.93Å; V168-R171 PolarHBondContact O-N 3.48Å; R171-L173 HydrophobicContact CB-CD2 4.03Å; R171-L173 HydrophobicContact CB-CG 4.47Å; R171-L173 PolarHBondContact O-N 2.96Å
172C96.3Very high94.5Very high52 Ų5246 Ų4635%0.35130%0.302SS..EExtended strand (participates in β ladder)trans-81110.8172.7-176.70000109.6C135 C159C135-C172 VanDerWaalsContact SG-CA 3.59Å; C135-C172 PolarHBondContact SG-N 2.95Å; C159-C172 HydrophobicContact CB-CB 3.82Å; C159-C172 WeakPolarHBondContact CB-SG 3.42Å; C159-C172 WeakPolarHBondContact SG-CA 3.31Å; C159-C172 WeakPolarHBondContact SG-CB 3.4Å; C159-C172 CovalentContact SG-SG 2.02Å; C159-C172 PolarHBondContact SG-SG 2.9Å
173L96.5Very high94.8Very high23 Ų2344.3 Ų44.312%0.1228%0.277CS..EExtended strand (participates in β ladder)trans-110.8137.3-179.2-55.5-173.8000110.1G165 V166 V168 R171 L181G165-L173 CarbonylContact C-O 3.49Å; G165-L173 WeakPolarHBondContact CA-O 3.48Å; V166-L173 PolarHBondContact N-O 2.97Å; V166-L173 PolarHBondContact O-N 2.94Å; V168-L173 HydrophobicContact CB-CD1 3.87Å; V168-L173 HydrophobicContact CB-CG 4.38Å; V168-L173 HydrophobicContact CG1-CD1 4.28Å; V168-L173 HydrophobicContact CG2-CD1 4.46Å; R171-L173 HydrophobicContact CB-CD2 4.03Å; R171-L173 HydrophobicContact CB-CG 4.47Å; R171-L173 PolarHBondContact O-N 2.96Å; L173-L181 HydrophobicContact CB-CB 4.15Å; L173-L181 HydrophobicContact CB-CD2 4.41Å; L173-L181 HydrophobicContact CD1-CB 4.46Å
174S95.5Very high95Very high67 Ų6746 Ų4647%0.46930%0.297SS..  trans-107.5153.5170.5-600000109.6G182S174-G182 PolarHBondContact O-N 2.91Å
175A95.3Very high95.2Very high46 Ų4639.7 Ų39.738%0.3827%0.272SS..BIsolated β-bridgetrans-73.2132.8176.900000109.5L90 L180 L181L90-A175 HydrophobicContact CD1-CB 3.94Å; L90-A175 HydrophobicContact CG-CB 4.47Å; A175-L180 WeakPolarHBondContact CA-O 3.4Å; A175-L181 HydrophobicContact CB-CD2 4.31Å
176G95.3Very high95.3Very high14 Ų1446.1 Ų46.114%0.14431%0.305CS..  trans-73.5175164.300000111.3D178 G179 L180 A185G176-D178 PolarHBondContact O-N 3.41Å; G176-D178 VanDerWaalsContact O-N 3.13Å; G176-G179 PolarHBondContact O-N 2.92Å; G176-L180 PolarHBondContact N-O 3.41Å; G176-A185 VanDerWaalsContact CA-O 3.24Å; G176-A185 WeakPolarHBondContact CA-O 3.47Å
177C95.3Very high95.4Very high43 Ų4352 Ų5229%0.29133%0.333SS..THydrogen-bonded Turntrans-62.3-16.5174.857.40000113.8G179 A185 L186 E187 C193C177-G179 VanDerWaalsContact C-N 3.26Å; C177-A185 PolarHBondContact N-O 2.91Å; C177-A185 PolarHBondContact SG-O 2.02Å; C177-L186 PolarHBondContact SG-N 3.03Å; C177-L186 PolarHBondContact SG-O 3.07Å; C177-E187 HydrophobicContact CB-CG 3.53Å; C177-C193 HydrophobicContact CB-CB 3.57Å; C177-C193 WeakPolarHBondContact CB-SG 3.38Å; C177-C193 WeakPolarHBondContact SG-CA 3.46Å; C177-C193 WeakPolarHBondContact SG-CB 2.95Å; C177-C193 CovalentContact SG-SG 2.02Å; C177-C193 PolarHBondContact SG-SG 3.12Å
178D94.8Very high95.4Very high72 Ų7252.9 Ų52.939%0.38534%0.337SS..THydrogen-bonded Turntrans-83.6-1.317560.7-6.9000112.8G176 L180 S183 A185 C193G176-D178 PolarHBondContact O-N 3.41Å; G176-D178 VanDerWaalsContact O-N 3.13Å; D178-L180 PolarHBondContact O-N 2.92Å; D178-L180 PolarHBondContact OD1-N 2.89Å; D178-L180 VanDerWaalsContact OD1-N 3.16Å; D178-S183 VanDerWaalsContact CG-OG 3.31Å; D178-S183 PolarHBondContact OD1-OG 3.38Å; D178-S183 WeakPolarHBondContact OD2-CB 3.38Å; D178-S183 PolarHBondContact OD2-OG 2.89Å; D178-A185 HydrophobicContact CB-CB 4.17Å; D178-C193 PolarHBondContact N-SG 2.85Å
179G93.1Very high95.4Very high38 Ų3863.3 Ų63.339%0.39238%0.376SS..SBendtrans77.63.1-17900000114.3R89 G176 C177R89-G179 WeakPolarHBondContact CB-O 3.04Å; G176-G179 PolarHBondContact O-N 2.92Å; C177-G179 VanDerWaalsContact C-N 3.26Å
180L95.8Very high95.5Very high38 Ų3862.2 Ų62.220%0.19937%0.365CS..BIsolated β-bridgetrans-92.5135.8178.6-63.2-179.2000110.7W54 Y88 R89 A175 G176 D178 G182 S183W54-L180 HydrophobicContact CH2-CD2 3.78Å; W54-L180 HydrophobicContact CZ2-CD2 4.01Å; Y88-L180 WeakPolarHBondContact O-CA 3.29Å; R89-L180 HydrophobicContact CB-CD2 4.49Å; A175-L180 WeakPolarHBondContact CA-O 3.4Å; G176-L180 PolarHBondContact N-O 3.41Å; D178-L180 PolarHBondContact O-N 2.92Å; D178-L180 PolarHBondContact OD1-N 2.89Å; D178-L180 VanDerWaalsContact OD1-N 3.16Å; L180-G182 PolarHBondContact O-N 2.94Å; L180-S183 PolarHBondContact O-OG 3.15Å
181L96.9Very high95.5Very high11 Ų1163.9 Ų63.96%0.05838%0.382CS..BIsolated β-bridgetrans-75.3123.6177.2-75.1167.9000109.9V65 Y88 L90 V166 V168 L173 A175 S183V65-L181 HydrophobicContact CG1-CD1 4.11Å; V65-L181 HydrophobicContact CG2-CD1 3.77Å; Y88-L181 PolarHBondContact O-N 3.35Å; L90-L181 HydrophobicContact CD1-CD2 4.33Å; L90-L181 HydrophobicContact CD2-CD1 4.11Å; L90-L181 HydrophobicContact CD2-CD2 4.03Å; L90-L181 HydrophobicContact CD2-CG 4.47Å; L90-L181 HydrophobicContact CG-CD1 4.28Å; L90-L181 HydrophobicContact CG-CD2 3.82Å; L90-L181 HydrophobicContact CG-CG 4.18Å; V166-L181 HydrophobicContact CG2-CD1 3.67Å; V166-L181 HydrophobicContact CG2-CD2 3.81Å; V166-L181 HydrophobicContact CG2-CG 4.42Å; V168-L181 HydrophobicContact CG2-CD1 4.25Å; L173-L181 HydrophobicContact CB-CB 4.15Å; L173-L181 HydrophobicContact CB-CD2 4.41Å; L173-L181 HydrophobicContact CD1-CB 4.46Å; A175-L181 HydrophobicContact CB-CD2 4.31Å; L181-S183 VanDerWaalsContact C-N 3.31Å; L181-S183 PolarHBondContact O-N 3.47Å
182G95.3Very high95.5Very high46 Ų4662.4 Ų62.447%0.47438%0.376SS..THydrogen-bonded Turntrans78.39.5177.600000114.9S174 L180 G184S174-G182 PolarHBondContact O-N 2.91Å; L180-G182 PolarHBondContact O-N 2.94Å; G182-G184 PolarHBondContact O-N 2.85Å
183S95.1Very high95.6Very high50 Ų5062.4 Ų62.435%0.3538%0.376SS..  trans-65.7-27.8174.760.80000112.8D178 L180 L181 A185D178-S183 VanDerWaalsContact CG-OG 3.31Å; D178-S183 PolarHBondContact OD1-OG 3.38Å; D178-S183 WeakPolarHBondContact OD2-CB 3.38Å; D178-S183 PolarHBondContact OD2-OG 2.89Å; L180-S183 PolarHBondContact O-OG 3.15Å; L181-S183 VanDerWaalsContact C-N 3.31Å; L181-S183 PolarHBondContact O-N 3.47Å; S183-A185 PolarHBondContact O-N 3.49Å; S183-A185 PolarHBondContact OG-N 2.88Å
184G93.3Very high95.5Very high62 Ų6264.6 Ų64.664%0.63940%0.404SS*.  trans67.210.8-172.400000113.2G182 L186G182-G184 PolarHBondContact O-N 2.85Å; G184-L186 PolarHBondContact O-N 2.79Å
185A95.7Very high95.5Very high25 Ų2562.4 Ų62.421%0.20739%0.393CS..  trans-67.5128.2178.700000110.3G176 C177 D178 S183G176-A185 VanDerWaalsContact CA-O 3.24Å; G176-A185 WeakPolarHBondContact CA-O 3.47Å; C177-A185 PolarHBondContact N-O 2.91Å; C177-A185 PolarHBondContact SG-O 2.02Å; D178-A185 HydrophobicContact CB-CB 4.17Å; S183-A185 PolarHBondContact O-N 3.49Å; S183-A185 PolarHBondContact OG-N 2.88Å
186L95.9Very high95.5Very high137 Ų13763.7 Ų63.772%0.71740%0.403SS*.  trans-117.1149179.5-61.3177000110.5C177 G184 G194C177-L186 PolarHBondContact SG-N 3.03Å; C177-L186 PolarHBondContact SG-O 3.07Å; G184-L186 PolarHBondContact O-N 2.79Å; L186-G194 PolarHBondContact O-N 2.8Å
187E97Very high95.5Very high127 Ų12767 Ų6759%0.59342%0.418SS*.BIsolated β-bridgetrans-69.4144.2167.8-62.8-177.2159.500109.9C177C177-E187 HydrophobicContact CB-CG 3.53Å
188D96.1Very high95.5Very high18 Ų1870.7 Ų70.710%0.09643%0.434CS..  trans-73.2176.8165.380.9-5.4000110.3C190 G191 R192 G195 A196 N197D188-C190 PolarHBondContact O-N 3.19Å; D188-C190 VanDerWaalsContact OD1-C 3.32Å; D188-C190 VanDerWaalsContact OD1-CA 3.25Å; D188-C190 WeakPolarHBondContact OD1-CA 3.24Å; D188-C190 WeakPolarHBondContact OD1-CB 3.31Å; D188-C190 PolarHBondContact OD1-N 3.24Å; D188-G191 PolarHBondContact O-N 2.75Å; D188-G191 PolarHBondContact OD1-N 3.32Å; D188-G191 VanDerWaalsContact OD1-N 3.1Å; D188-R192 PolarHBondContact N-O 2.85Å; D188-R192 PolarHBondContact OD1-N 2.71Å; D188-G195 WeakPolarHBondContact CB-O 3.44Å; D188-G195 VanDerWaalsContact OD2-C 3.26Å; D188-G195 VanDerWaalsContact OD2-CA 3.26Å; D188-G195 WeakPolarHBondContact OD2-CA 3.24Å; D188-A196 PolarHBondContact OD2-N 2.85Å; D188-N197 WeakPolarHBondContact CB-OD1 3.4Å; D188-N197 WeakPolarHBondContact OD2-CA 3.47Å; D188-N197 PolarHBondContact OD2-N 3.42Å
189R95.8Very high95.5Very high221 Ų22170 Ų7083%0.83444%0.436SS*.THydrogen-bonded Turntrans-64.3-12.2179.7-64.3180-178.2-1671.1113.7N197R189-N197 WeakPolarHBondContact CB-OD1 3.46Å; R189-N197 WeakPolarHBondContact CG-OD1 3.46Å; R189-N197 PolarHBondContact N-OD1 3.25Å
190C95.8Very high95.6Very high33 Ų3371 Ų7122%0.22344%0.435CS..THydrogen-bonded Turntrans-95.11.4177-560000112.6D188 R192 S199 C200D188-C190 PolarHBondContact O-N 3.19Å; D188-C190 VanDerWaalsContact OD1-C 3.32Å; D188-C190 VanDerWaalsContact OD1-CA 3.25Å; D188-C190 WeakPolarHBondContact OD1-CA 3.24Å; D188-C190 WeakPolarHBondContact OD1-CB 3.31Å; D188-C190 PolarHBondContact OD1-N 3.24Å; C190-R192 VanDerWaalsContact C-N 3.29Å; C190-S199 WeakPolarHBondContact CB-OG 3.23Å; C190-C200 WeakPolarHBondContact CA-SG 3.27Å; C190-C200 HydrophobicContact CB-CB 3.54Å; C190-C200 WeakPolarHBondContact CB-SG 3.37Å; C190-C200 VanDerWaalsContact SG-CA 3.59Å; C190-C200 WeakPolarHBondContact SG-CB 3.37Å; C190-C200 PolarHBondContact SG-N 3.3Å; C190-C200 CovalentContact SG-SG 2.03Å; C190-C200 PolarHBondContact SG-SG 3.2Å
191G94.9Very high95.5Very high42 Ų4276.7 Ų76.743%0.43347%0.466SS..SBendtrans76.714.5-176.900000113.3D188D188-G191 PolarHBondContact O-N 2.75Å; D188-G191 PolarHBondContact OD1-N 3.32Å; D188-G191 VanDerWaalsContact OD1-N 3.1Å
192R96.6Very high95.2Very high146 Ų14684.5 Ų84.555%0.55150%0.499SS*.  trans-94.1122.8175.6-180176.8-87.2178.9-6.2109.4D188 C190 G194 G195D188-R192 PolarHBondContact N-O 2.85Å; D188-R192 PolarHBondContact OD1-N 2.71Å; C190-R192 VanDerWaalsContact C-N 3.29Å; R192-G194 PolarHBondContact O-N 2.95Å; R192-G195 PolarHBondContact O-N 3.45Å
193C97.2Very high95Very high51 Ų5187.1 Ų87.135%0.34551%0.506SS..BIsolated β-bridgetrans-59.8124.1175.8-170.50000111.7C177 D178 G195C177-C193 HydrophobicContact CB-CB 3.57Å; C177-C193 WeakPolarHBondContact CB-SG 3.38Å; C177-C193 WeakPolarHBondContact SG-CA 3.46Å; C177-C193 WeakPolarHBondContact SG-CB 2.95Å; C177-C193 CovalentContact SG-SG 2.02Å; C177-C193 PolarHBondContact SG-SG 3.12Å; D178-C193 PolarHBondContact N-SG 2.85Å; C193-G195 PolarHBondContact O-N 3.46Å
194G95.3Very high94.8Very high69 Ų6992.2 Ų92.271%0.71152%0.524SS*.THydrogen-bonded Turntrans62.420.4-17600000114.2L186 R192L186-G194 PolarHBondContact O-N 2.8Å; R192-G194 PolarHBondContact O-N 2.95Å
195G95.1Very high94.6Very high22 Ų2298.4 Ų98.423%0.22753%0.528CS..  trans-74.1165.3-177.200000114.1D188 R192 C193D188-G195 WeakPolarHBondContact CB-O 3.44Å; D188-G195 VanDerWaalsContact OD2-C 3.26Å; D188-G195 VanDerWaalsContact OD2-CA 3.26Å; D188-G195 WeakPolarHBondContact OD2-CA 3.24Å; R192-G195 PolarHBondContact O-N 3.45Å; C193-G195 PolarHBondContact O-N 3.46Å
196A95.8Very high94.1Very high73 Ų73103.3 Ų103.360%0.60356%0.555SS**  trans-98.29.1-176.800000113.8D188 D198D188-A196 PolarHBondContact OD2-N 2.85Å; A196-D198 VanDerWaalsContact C-N 3.28Å; A196-D198 PolarHBondContact O-N 3.02Å
197N94.7Very high93.5Very high83 Ų83104.9 Ų104.944%0.44456%0.557SS.*SBendtrans63.325.6-172.8-50-73.1000114.8D188 R189D188-N197 WeakPolarHBondContact CB-OD1 3.4Å; D188-N197 WeakPolarHBondContact OD2-CA 3.47Å; D188-N197 PolarHBondContact OD2-N 3.42Å; R189-N197 WeakPolarHBondContact CB-OD1 3.46Å; R189-N197 WeakPolarHBondContact CG-OD1 3.46Å; R189-N197 PolarHBondContact N-OD1 3.25Å
198D95.4Very high92.6Very high120 Ų120110 Ų11064%0.64257%0.571SS**  trans-110.1-6.9-176.263.2-13.3000113.5A196 C200A196-D198 VanDerWaalsContact C-N 3.28Å; A196-D198 PolarHBondContact O-N 3.02Å; D198-C200 VanDerWaalsContact C-N 3.34Å
199S95.8Very high91.6Very high59 Ų59117 Ų11741%0.41361%0.608SS.*SBendtrans-86.2-3.4-178.164.20000114.4C190C190-S199 WeakPolarHBondContact CB-OG 3.23Å
200C95.4Very high90.3Very high57 Ų57114.9 Ų114.939%0.38564%0.638SS.*SBendtrans-144.6162.3-179.773.10000111.4C190 D198C190-C200 WeakPolarHBondContact CA-SG 3.27Å; C190-C200 HydrophobicContact CB-CB 3.54Å; C190-C200 WeakPolarHBondContact CB-SG 3.37Å; C190-C200 VanDerWaalsContact SG-CA 3.59Å; C190-C200 WeakPolarHBondContact SG-CB 3.37Å; C190-C200 PolarHBondContact SG-N 3.3Å; C190-C200 CovalentContact SG-SG 2.03Å; C190-C200 PolarHBondContact SG-SG 3.2Å; D198-C200 VanDerWaalsContact C-N 3.34Å
201L93.4Very high90.1Very high159 Ų159119 Ų11983%0.83266%0.658SS**  trans-106.8134.2175.9-62.8172000109.9V203L201-V203 PolarHBondContact O-N 3.43Å
202F90.8Very high89.8Confident174 Ų174123.1 Ų123.176%0.76367%0.67SS**  trans-75.2119.8171.1-179.3-101.3000110Q204F202-Q204 HydrophobicContact CE1-CB 3.86Å; F202-Q204 HydrophobicContact CZ-CB 4.28Å
203V90.9Very high89.4Confident102 Ų102121.8 Ų121.862%0.61868%0.677SS**  trans-117.3117.6178.2-177.40000109.3L201 R205L201-V203 PolarHBondContact O-N 3.43Å; V203-R205 HydrophobicContact CG1-CG 4.22Å
204Q90.6Very high89Confident157 Ų157125.9 Ų125.973%0.73470%0.696SS**  trans-109129.9172-170.9174.68.400109.3F202F202-Q204 HydrophobicContact CE1-CB 3.86Å; F202-Q204 HydrophobicContact CZ-CB 4.28Å
205R87.9Confident88.6Confident192 Ų192129.5 Ų129.573%0.72570%0.696SS**  trans-121.9141.9173.9-59.8-168.4-165.7-162.15.3109.8V203 F207V203-R205 HydrophobicContact CG1-CG 4.22Å; R205-F207 HydrophobicContact CB-CE2 4.06Å; R205-F207 HydrophobicContact CB-CZ 4.45Å
206V86Confident88.2Confident127 Ų127136.7 Ų136.777%0.7773%0.727SS**  trans-105.3123.1173.6-178.60000107.5
207F84Confident87.6Confident171 Ų171141.2 Ų141.275%0.7574%0.736SS**  trans-98.1135.2172.8-66.4-88.8000108.6R205R205-F207 HydrophobicContact CB-CE2 4.06Å; R205-F207 HydrophobicContact CB-CZ 4.45Å
208R77.8Confident87.1Confident235 Ų235145.7 Ų145.789%0.88776%0.758SS**  trans-109.1123167.1-77.1-174.9178.5-176.6-0.5107.3
209D75.3Confident86.4Confident165 Ų165147.8 Ų147.888%0.88277%0.768SS**  trans-69.2140.3171.9-62.5-37.1000109.4
210A68.8Low85.5Confident176 Ų176155.9 Ų155.9100%1.45580%0.8SS**  trans-85.20-178.200000112

Retrieved 210 of 210 residues in 688.8 ms (Link to these results)