M4VHL5_SALSA Loading...

Cerebellin-2-like protein

AlphaFold DB , UniProt , Accession M4VHL5, Species SALSA (Salmo salar, Atlantic salmon), Gene cbln2b, Length 203 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M44.3Very low34.8Very low245 Ų245139.6 Ų139.6100%1.20784%0.842SS**  091.30-119.8-178.8-17300107.9
2V29.4Very low34.8Very low139 Ų139136.3 Ų136.384%0.84284%0.841SS**  trans-147.8109.6165.7-178.20000106.1
3V39.6Very low34.9Very low138 Ų138139.3 Ų139.384%0.83684%0.842SS**  trans-91.2130.5169174.80000106.7
4P33.1Very low35.3Very low115 Ų115141.9 Ų141.975%0.74785%0.848SS**  trans-101.3110160.321.2-4.8000110.5
5A32.3Very low35.1Very low85 Ų85138.9 Ų138.970%0.70284%0.844SS**  trans34.1110132.700000119.1
6R32.6Very low35.4Very low250 Ų250141.1 Ų141.194%0.94385%0.849SS**PPolyproline II helixtrans-69.9121.7149.1-79.2-179.8178.5-163-1.9109
7C28.7Very low35.5Very low124 Ų124139.8 Ų139.884%0.83885%0.848SS**PPolyproline II helixtrans-80.5131.7161.1-76.60000109.6
8P39.2Very low35.5Very low131 Ų131140.9 Ų140.985%0.85185%0.847SS**PPolyproline II helixtrans-94.6145.6171.335.3-28.5000111.1
9G28.9Very low35.5Very low68 Ų68141.2 Ų141.270%0.70184%0.843SS**  trans165.6161.5162.100000112.7
10P40.5Very low35.5Very low124 Ų124143.1 Ų143.181%0.80585%0.845SS**  -129.3154-64.435.1-24.1000111.2
11C34Very low35.7Very low117 Ų117139.2 Ų139.279%0.79184%0.835SS**  trans159.991.8137.1-89.40000109.5
12A35.7Very low35.2Very low100 Ų100139.1 Ų139.183%0.82682%0.823SS**  trans-76.6119.814800000107.2
13M35.1Very low35.7Very low175 Ų175135.8 Ų135.886%0.86282%0.817SS**  trans-136.2105.9157-82-66.1-86.600107.5
14L40.3Very low35.8Very low176 Ų176135.6 Ų135.692%0.92182%0.816SS**  trans-79.2126.6161.7-87.9155.4000108
15A33.6Very low36.2Very low96 Ų96136.1 Ų136.179%0.79382%0.816SS**  trans-164.5126.3147.500000110.9
16L39.5Very low36.7Very low174 Ų174142.6 Ų142.691%0.91182%0.823SS**  trans-74.8131.9168.8-136.986.2000109.1
17S36.3Very low36.6Very low120 Ų120136.2 Ų136.284%0.83982%0.815SS**  trans-177.8145.8143.234.30000112.5
18L36.4Very low37.1Very low159 Ų159136.7 Ų136.783%0.83281%0.814SS**  trans-73.3161.9-174.9-97.197.1000114.7
19L35.6Very low37.4Very low147 Ų147134.5 Ų134.577%0.7781%0.807SS**  trans97.7121.8151.2-71.3141.8000120
20M35.1Very low38Very low178 Ų178134.4 Ų134.488%0.87781%0.806SS**  trans69.3112.9141.5-65.5-71.8-138.400120.1
21G39.2Very low38Very low62 Ų62135.7 Ų135.764%0.63980%0.801SS**  trans108.9140136.800000116.8
22Y35.1Very low38.9Very low244 Ų244137.4 Ų137.496%0.95780%0.802SS**  trans94124162.9-61.1-81.3000118.1
23G39.1Very low39.3Very low69 Ų69138.1 Ų138.171%0.71179%0.792SS**  trans-63.4153.7-167.100000114.5V25G23-V25 PolarHBondContact O-N 3.42Å
24V41Very low40.6Very low134 Ų134135.9 Ų135.981%0.81279%0.788SS**  trans-59105.6176.8-175.40000109.4R26V24-R26 VanDerWaalsContact C-N 3.32Å; V24-R26 HydrophobicContact CG1-CG 4.3Å; V24-R26 PolarHBondContact O-N 3.21Å
25V42.3Very low41.3Very low125 Ų125135.6 Ų135.676%0.75878%0.783SS**  trans-68.897.6158.8176.20000106.2G23 C27G23-V25 PolarHBondContact O-N 3.42Å; V25-C27 PolarHBondContact O-N 2.86Å
26R42.1Very low42.2Very low222 Ų222136.4 Ų136.484%0.83878%0.78SS**  trans-67.699.7166.3-98.4-177.5163.6-178.9-4.7107.6V24 V28V24-R26 VanDerWaalsContact C-N 3.32Å; V24-R26 HydrophobicContact CG1-CG 4.3Å; V24-R26 PolarHBondContact O-N 3.21Å; R26-V28 PolarHBondContact O-N 2.81Å; R26-V28 VanDerWaalsContact O-N 3.09Å
27C30.4Very low43.3Very low116 Ų116135.2 Ų135.278%0.78477%0.773SS**  trans-66.7103.2159.8-69.30000107.5V25 A29V25-C27 PolarHBondContact O-N 2.86Å; C27-A29 VanDerWaalsContact C-N 3.34Å; C27-A29 PolarHBondContact O-N 2.96Å; C27-A29 VanDerWaalsContact O-N 3.09Å
28V40.9Very low44.1Very low134 Ų134134.8 Ų134.881%0.81277%0.765SS**  trans-72.296.5164.7175.60000106.2R26 G30R26-V28 PolarHBondContact O-N 2.81Å; R26-V28 VanDerWaalsContact O-N 3.09Å; V28-G30 PolarHBondContact O-N 3.45Å
29A44.7Very low44.6Very low85 Ų85134.6 Ų134.670%0.70276%0.764SS**  trans-72.2104.4163.800000107C27 Q31C27-A29 VanDerWaalsContact C-N 3.34Å; C27-A29 PolarHBondContact O-N 2.96Å; C27-A29 VanDerWaalsContact O-N 3.09Å; A29-Q31 PolarHBondContact O-N 2.89Å; A29-Q31 VanDerWaalsContact O-N 3.1Å
30G40.4Very low45.3Very low66 Ų66136.4 Ų136.468%0.6877%0.768SS**  trans-67.3102.616600000108.5V28 N32V28-G30 PolarHBondContact O-N 3.45Å; G30-N32 VanDerWaalsContact C-N 3.34Å; G30-N32 PolarHBondContact O-N 3.19Å
31Q42.3Very low46.3Very low150 Ų150131 Ų13170%0.70176%0.758SS**  trans-71.992.1166.7-85.9171.5-74.700108.3A29 D33A29-Q31 PolarHBondContact O-N 2.89Å; A29-Q31 VanDerWaalsContact O-N 3.1Å; Q31-D33 WeakPolarHBondContact CG-OD2 3.14Å; Q31-D33 PolarHBondContact NE2-OD2 3.4Å; Q31-D33 PolarHBondContact O-N 3.18Å; Q31-D33 VanDerWaalsContact O-N 3.13Å
32N51Low47.4Very low153 Ų153137.8 Ų137.882%0.81877%0.77SS**  trans-80.168.9155.6-80.6-8.8000107.7G30 T34G30-N32 VanDerWaalsContact C-N 3.34Å; G30-N32 PolarHBondContact O-N 3.19Å; N32-T34 PolarHBondContact O-N 3.36Å
33D45.4Very low48.7Very low115 Ų115131.5 Ų131.562%0.61576%0.76SS**  trans-79.869.4173.2-69.9-19.5000108.7Q31 E35Q31-D33 WeakPolarHBondContact CG-OD2 3.14Å; Q31-D33 PolarHBondContact NE2-OD2 3.4Å; Q31-D33 PolarHBondContact O-N 3.18Å; Q31-D33 VanDerWaalsContact O-N 3.13Å; D33-E35 PolarHBondContact O-N 3.49Å
34T61.2Low49.9Very low128 Ų128132.4 Ų132.479%0.78575%0.749SS**  trans-90.282.9158.950.50000107.3N32N32-T34 PolarHBondContact O-N 3.36Å
35E56.4Low51.2Low171 Ų171131.6 Ų131.680%0.79974%0.743SS**  trans-55.2128.8163.8-70.9-170.615900108D33 I37D33-E35 PolarHBondContact O-N 3.49Å; E35-I37 PolarHBondContact O-N 2.87Å
36P52.6Low52.3Low113 Ų113129.9 Ų129.973%0.73473%0.733SS**  trans-62.7124.3178.324.7-31.5000108.6V38P36-V38 PolarHBondContact O-N 2.93Å
37I61.3Low53.6Low149 Ų149124 Ų12476%0.76473%0.725SS**  trans-62.8105.5169.9-61.6170.2000106.4E35 L39E35-I37 PolarHBondContact O-N 2.87Å; I37-L39 VanDerWaalsContact C-N 3.35Å; I37-L39 HydrophobicContact CG2-CD2 3.85Å; I37-L39 HydrophobicContact CG2-CG 4.33Å; I37-L39 PolarHBondContact O-N 2.9Å
38V53.3Low55Low111 Ų111124.7 Ų124.767%0.67372%0.721SS**  trans-69.699.1170.6-175.90000106.3P36 E40P36-V38 PolarHBondContact O-N 2.93Å; V38-E40 HydrophobicContact CG1-CG 3.7Å; V38-E40 PolarHBondContact O-N 3.09Å
39L46.6Very low55.3Low154 Ų154123.5 Ų123.581%0.80672%0.719SS**  trans-71.987168.7-63.9175.8000107.6I37 G41I37-L39 VanDerWaalsContact C-N 3.35Å; I37-L39 HydrophobicContact CG2-CD2 3.85Å; I37-L39 HydrophobicContact CG2-CG 4.33Å; I37-L39 PolarHBondContact O-N 2.9Å; L39-G41 PolarHBondContact O-N 3.39Å
40E50.6Low55.7Low185 Ų185125.4 Ų125.486%0.86472%0.717SS**  trans-71.292.3170.1-66.2-167167.100108.9V38V38-E40 HydrophobicContact CG1-CG 3.7Å; V38-E40 PolarHBondContact O-N 3.09Å
41G57.3Low56Low64 Ų64127.5 Ų127.566%0.6672%0.719SS**SBendtrans-156.3153.1178.800000112.5L39 C43L39-G41 PolarHBondContact O-N 3.39Å; G41-C43 PolarHBondContact O-N 2.77Å
42K60.9Low56.3Low206 Ų206125.6 Ų125.690%0.89672%0.722SS**  trans-79.3109.6169-70.6-179.5-179.5177.50108.2
43C63.6Low56.2Low112 Ų112123.5 Ų123.576%0.75772%0.719SS**  trans-94132.5173.4-171.10000109.8G41G41-C43 PolarHBondContact O-N 2.77Å
44L63.6Low56.5Low88 Ų88126.3 Ų126.346%0.46173%0.734SS.*  trans-114.5118166.2-177.377.6000108.5V46 F198 V200L44-V46 HydrophobicContact CD2-CG2 3.65Å; L44-V46 HydrophobicContact CG-CG2 3.95Å; L44-F198 HydrophobicContact CD2-CE2 3.25Å; L44-F198 HydrophobicContact CD2-CZ 3.45Å; L44-F198 VanDerWaalsContact CD2-CZ 3.45Å; L44-V200 HydrophobicContact CD1-CG1 4.43Å; L44-V200 HydrophobicContact CD2-CG1 4.1Å; L44-V200 HydrophobicContact CD2-CG2 4.44Å
45V68.9Low55.9Low116 Ų116123.8 Ų123.870%0.70373%0.734SS**  trans-94.9114.7173.1-1770000108
46V65.3Low55.1Low90 Ų90119.2 Ų119.255%0.54573%0.733SS.*  trans-106.3109.5173.9-175.80000108.1L44L44-V46 HydrophobicContact CD2-CG2 3.65Å; L44-V46 HydrophobicContact CG-CG2 3.95Å
47C68.2Low55.5Low99 Ų99120.7 Ų120.767%0.66974%0.739SS**  trans-91.4103.7176.2-61.40000109.5S49C47-S49 PolarHBondContact O-N 3.18Å
48D60.1Low54.8Low129 Ų129119.6 Ų119.669%0.6974%0.739SS**  trans-68.3101.6169.3-91.8-15.5000108.6N50D48-N50 PolarHBondContact O-N 3.29Å
49S48.3Very low54.3Low110 Ų110119.1 Ų119.177%0.76974%0.741SS**  trans-77.663.8171.9-53.90000109.1C47 P51C47-S49 PolarHBondContact O-N 3.18Å; S49-P51 VanDerWaalsContact C-CD 3.45Å; S49-P51 WeakPolarHBondContact O-CD 3.35Å
50N52.5Low54.9Low125 Ų125117.1 Ų117.167%0.66874%0.74SS**  trans-105.786.6172.4-137.435.6000108.1D48 S52D48-N50 PolarHBondContact O-N 3.29Å; N50-S52 VanDerWaalsContact C-N 3.27Å; N50-S52 PolarHBondContact O-N 3.26Å
51P46.5Very low55Low110 Ų110117.1 Ų117.171%0.71475%0.745SS**  trans-68.694.5169.929.5-31.7000107.1S49 S53S49-P51 VanDerWaalsContact C-CD 3.45Å; S49-P51 WeakPolarHBondContact O-CD 3.35Å; P51-S53 PolarHBondContact O-N 3.43Å
52S49.5Very low54.4Low110 Ų110117.4 Ų117.477%0.76975%0.748SS**  trans-67.687.9156.828.90000105.7N50 D54N50-S52 VanDerWaalsContact C-N 3.27Å; N50-S52 PolarHBondContact O-N 3.26Å; S52-D54 PolarHBondContact O-N 2.86Å
53S48.6Very low53.6Low109 Ų109114.6 Ų114.676%0.76274%0.741SS**  trans-70.187.2165.542.60000106.8P51 G55P51-S53 PolarHBondContact O-N 3.43Å; S53-G55 PolarHBondContact O-N 3.31Å
54D50.7Low52.8Low173 Ų173115 Ų11593%0.92575%0.745SS**  trans-75.9103.9165.8-154.214.6000107.4S52S52-D54 PolarHBondContact O-N 2.86Å
55G50.1Low52.1Low76 Ų76115.7 Ų115.778%0.78475%0.753SS**SBendtrans142.163.2176.500000115S53S53-G55 PolarHBondContact O-N 3.31Å
56G39.8Very low51.3Low75 Ų75120.6 Ų120.677%0.77376%0.759SS**  trans16797.316600000115.3T58G56-T58 PolarHBondContact O-N 2.85Å
57V60.3Low50.8Low143 Ų143120.1 Ų120.187%0.86776%0.759SS**  trans-68.3118.4164.9175.40000108.7
58T45.9Very low49.9Very low126 Ų126119.7 Ų119.777%0.77376%0.763SS**  trans-171.9133136.649.60000113.2G56G56-T58 PolarHBondContact O-N 2.85Å
59S43.2Very low49.9Very low101 Ų101115.7 Ų115.771%0.70675%0.753SS**  trans63.2103145.261.80000122.1
60S60.2Low51Low112 Ų112112.4 Ų112.478%0.78373%0.732SS**  36.487.8119.763.80000120
61L51.8Low52.7Low186 Ų186112.6 Ų112.697%0.97473%0.727SS**  154.295.9128.5-88.9167.9000107.5
62G45.5Very low55.1Low70 Ų70107.7 Ų107.772%0.72270%0.695SS**  trans170.278.5-179.300000107.7S64G62-S64 PolarHBondContact O-N 3.28Å
63I42.4Very low57.3Low147 Ų147103.8 Ų103.875%0.75467%0.669SS**  trans-39.2103.2172.2-66171.1000108.3V65I63-V65 HydrophobicContact CG2-CB 3.51Å; I63-V65 HydrophobicContact CG2-CG2 3.2Å; I63-V65 PolarHBondContact O-N 3.49Å
64S47.3Very low59.7Low120 Ų12098.8 Ų98.884%0.83963%0.634SS**  trans-76.165.9168.4-1760000107.6G62G62-S64 PolarHBondContact O-N 3.28Å
65V48.7Very low62Low102 Ų10292 Ų9262%0.61860%0.599SS**  trans-11672.2167.7-179.20000105I63I63-V65 HydrophobicContact CG2-CB 3.51Å; I63-V65 HydrophobicContact CG2-CG2 3.2Å; I63-V65 PolarHBondContact O-N 3.49Å
66R53.4Low64.3Low219 Ų21988.3 Ų88.383%0.82656%0.562SS**  trans-118.67.5176.5-74-165.7175.9-171.90.1115
67S54.3Low67.1Low80 Ų8086 Ų8656%0.55953%0.532SS*.SBendtrans-138.812.8177.3-143.10000116.1G69S67-G69 PolarHBondContact O-N 2.82Å
68A49.6Very low68.9Low91 Ų9180 Ų8075%0.75249%0.494SS*.SBendtrans-89.898.4164.700000107.8
69G58.7Low71.2Confident45 Ų4575.2 Ų75.246%0.46447%0.47SS..SBendtrans95.717.8176.100000116.8S67S67-G69 PolarHBondContact O-N 2.82Å
70A72Confident73.5Confident40 Ų4072.1 Ų72.133%0.33145%0.447SS..  trans-86.2-19.4170.200000113
71K88.4Confident74.8Confident129 Ų12970.6 Ų70.656%0.56143%0.43SS*.  trans-100.4116.8-178.9-59.2-177-177.9-176.50108.8I103K71-I103 HydrophobicContact CB-CG2 4.09Å
72V95.9Very high76.5Confident7 Ų768 Ų684%0.04241%0.413CS..  trans-135.5121.8177.7179.10000107F114 P117 Y122 F198 L199V72-F114 HydrophobicContact CG1-CE2 3.79Å; V72-F114 HydrophobicContact CG1-CZ 3.81Å; V72-P117 HydrophobicContact CG1-CG 4.27Å; V72-P117 HydrophobicContact CG2-CG 3.75Å; V72-Y122 HydrophobicContact CG1-CE1 4.26Å; V72-F198 CarbonylContact O-C 3.55Å; V72-F198 VanDerWaalsContact O-CA 3.22Å; V72-F198 WeakPolarHBondContact O-CA 3.49Å; V72-F198 VanDerWaalsContact O-CB 3.3Å; V72-F198 WeakPolarHBondContact O-CB 3.47Å; V72-L199 HydrophobicContact CB-CB 3.8Å; V72-L199 HydrophobicContact CG2-CB 4.36Å; V72-L199 HydrophobicContact CG2-CD2 4.21Å; V72-L199 PolarHBondContact O-N 3.36Å
73A97.5Very high78.4Confident28 Ų2868.9 Ų68.923%0.23140%0.398CS..EExtended strand (participates in β ladder)trans-157.4143.8177.700000110.1V101 N102 I103 G197 F198A73-V101 HydrophobicContact CB-CG1 4.24Å; A73-N102 CarbonylContact O-C 3.53Å; A73-N102 WeakPolarHBondContact O-CA 3.39Å; A73-I103 HydrophobicContact CB-CB 4.44Å; A73-I103 HydrophobicContact CB-CG1 4.42Å; A73-I103 PolarHBondContact N-O 3Å; A73-I103 PolarHBondContact O-N 3.01Å; A73-G197 CarbonylContact C-O 3.45Å; A73-G197 WeakPolarHBondContact CA-O 3.29Å; A73-F198 HydrophobicContact CB-CB 3.74Å
74F98.6Very high80.2Confident5 Ų562.6 Ų62.62%0.02237%0.367CS..EExtended strand (participates in β ladder)trans-138.7154.316976.5-79.1000110.9V101 F107 F114 F124 F195 S196 G197F74-V101 CarbonylContact C-O 3.49Å; F74-V101 WeakPolarHBondContact CA-O 3.24Å; F74-F107 HydrophobicContact CB-CB 3.66Å; F74-F107 HydrophobicContact CB-CG 4.17Å; F74-F107 HydrophobicContact CD2-CB 4.03Å; F74-F107 HydrophobicContact CD2-CD1 4.28Å; F74-F107 AromaticContact CD2-CD2 3.37Å; F74-F107 HydrophobicContact CD2-CD2 3.37Å; F74-F107 AromaticContact CD2-CE2 3.81Å; F74-F107 HydrophobicContact CD2-CE2 3.81Å; F74-F107 AromaticContact CD2-CG 3.63Å; F74-F107 HydrophobicContact CD2-CG 3.63Å; F74-F107 HydrophobicContact CD2-CZ 4.41Å; F74-F107 AromaticContact CE2-CD2 3.55Å; F74-F107 HydrophobicContact CE2-CD2 3.55Å; F74-F107 AromaticContact CE2-CE2 3.64Å; F74-F107 HydrophobicContact CE2-CE2 3.64Å; F74-F107 HydrophobicContact CE2-CG 4.28Å; F74-F107 HydrophobicContact CE2-CZ 4.43Å; F74-F107 HydrophobicContact CG-CB 3.83Å; F74-F107 AromaticContact CG-CD2 3.93Å; F74-F107 HydrophobicContact CG-CD2 3.93Å; F74-F107 AromaticContact CG-CG 3.98Å; F74-F107 HydrophobicContact CG-CG 3.98Å; F74-F107 HydrophobicContact CZ-CD2 4.23Å; F74-F107 HydrophobicContact CZ-CE2 4.47Å; F74-F114 HydrophobicContact CD1-CB 4.4Å; F74-F114 AromaticContact CD1-CD2 3.41Å; F74-F114 HydrophobicContact CD1-CD2 3.41Å; F74-F114 VanDerWaalsContact CD1-CD2 3.41Å; F74-F114 AromaticContact CD1-CE2 3.92Å; F74-F114 HydrophobicContact CD1-CE2 3.92Å; F74-F114 HydrophobicContact CD1-CG 4.07Å; F74-F114 HydrophobicContact CE1-CB 3.87Å; F74-F114 AromaticContact CE1-CD2 3.56Å; F74-F114 HydrophobicContact CE1-CD2 3.56Å; F74-F114 HydrophobicContact CE1-CE2 4.24Å; F74-F114 AromaticContact CE1-CG 3.73Å; F74-F114 HydrophobicContact CE1-CG 3.73Å; F74-F114 HydrophobicContact CG-CD2 4.28Å; F74-F114 HydrophobicContact CZ-CB 4.07Å; F74-F114 HydrophobicContact CZ-CG 4.42Å; F74-F124 HydrophobicContact CE1-CD1 4.03Å; F74-F124 AromaticContact CE1-CE1 3.72Å; F74-F124 HydrophobicContact CE1-CE1 3.72Å; F74-F124 HydrophobicContact CZ-CD1 4.01Å; F74-F124 HydrophobicContact CZ-CE1 4.04Å; F74-F195 AromaticContact CE2-CD1 3.73Å; F74-F195 HydrophobicContact CE2-CD1 3.73Å; F74-F195 HydrophobicContact CE2-CD2 4.3Å; F74-F195 AromaticContact CE2-CE1 3.8Å; F74-F195 HydrophobicContact CE2-CE1 3.8Å; F74-F195 HydrophobicContact CE2-CE2 4.36Å; F74-F195 AromaticContact CE2-CG 3.99Å; F74-F195 HydrophobicContact CE2-CG 3.99Å; F74-F195 HydrophobicContact CE2-CZ 4.12Å; F74-F195 HydrophobicContact CZ-CD1 4.16Å; F74-F195 HydrophobicContact CZ-CD2 4.28Å; F74-F195 AromaticContact CZ-CE1 3.8Å; F74-F195 HydrophobicContact CZ-CE1 3.8Å; F74-F195 AromaticContact CZ-CE2 3.94Å; F74-F195 HydrophobicContact CZ-CE2 3.94Å; F74-F195 HydrophobicContact CZ-CG 4.39Å; F74-F195 AromaticContact CZ-CZ 3.68Å; F74-F195 HydrophobicContact CZ-CZ 3.68Å; F74-S196 WeakPolarHBondContact O-CA 3.36Å; F74-S196 WeakPolarHBondContact O-CB 3.26Å; F74-G197 VanDerWaalsContact CD1-O 3.32Å; F74-G197 WeakPolarHBondContact CD1-O 3.43Å; F74-G197 PolarHBondContact N-O 2.76Å; F74-G197 PolarHBondContact O-N 3.41Å
75S98.6Very high81.7Confident29 Ų2960.4 Ų60.420%0.20335%0.351CS..EExtended strand (participates in β ladder)trans-148.7123.4171-177.50000107.6A99 L100 V101S75-A99 CarbonylContact O-C 3.56Å; S75-L100 PolarHBondContact O-N 3.45Å; S75-V101 PolarHBondContact N-O 2.81Å; S75-V101 PolarHBondContact O-N 3.5Å; S75-V101 VanDerWaalsContact O-N 3.16Å
76A98.6Very high82.8Confident0 Ų062 Ų620%036%0.357CS..EExtended strand (participates in β ladder)trans-128.2146.8-17800000110.5F96 Q98 F107 T194 F195A76-F96 HydrophobicContact CB-CB 3.75Å; A76-F96 HydrophobicContact CB-CD1 4.45Å; A76-F96 HydrophobicContact CB-CG 4.03Å; A76-Q98 CarbonylContact C-O 3.54Å; A76-Q98 VanDerWaalsContact CA-O 3.23Å; A76-Q98 WeakPolarHBondContact CA-O 3.36Å; A76-F107 HydrophobicContact CB-CD1 4.32Å; A76-F107 HydrophobicContact CB-CE1 3.55Å; A76-F107 HydrophobicContact CB-CZ 3.83Å; A76-T194 WeakPolarHBondContact O-CA 3.42Å; A76-F195 PolarHBondContact N-O 3.46Å; A76-F195 PolarHBondContact O-N 3.46Å
77V98.5Very high83.1Confident25 Ų2558.6 Ų58.615%0.15235%0.352CS..EExtended strand (participates in β ladder)trans-135151.9-176.3-59.10000111.4D97 Q98 L100 S193 T194V77-D97 PolarHBondContact O-N 2.75Å; V77-Q98 HydrophobicContact CG2-CB 3.89Å; V77-Q98 HydrophobicContact CG2-CG 4.2Å; V77-Q98 PolarHBondContact N-O 2.9Å; V77-Q98 PolarHBondContact O-N 2.76Å; V77-L100 HydrophobicContact CG1-CD1 3.59Å; V77-L100 HydrophobicContact CG1-CG 4.07Å; V77-L100 HydrophobicContact CG2-CD1 4.33Å; V77-L100 HydrophobicContact CG2-CD2 4.14Å; V77-L100 HydrophobicContact CG2-CG 4.12Å; V77-S193 CarbonylContact C-O 3.44Å; V77-S193 VanDerWaalsContact CA-O 3.3Å; V77-S193 WeakPolarHBondContact CA-O 3.41Å; V77-T194 HydrophobicContact CG1-CG2 4.01Å
78R97.1Very high83.9Confident17 Ų1755.5 Ų55.56%0.06433%0.33CS..  trans-92.2109.3169.7-174.669.1172.2169.7-8.1109.3T80 H82 F96 D97 W190 Y192 S193R78-T80 WeakPolarHBondContact CG-O 3.33Å; R78-T80 PolarHBondContact NE-O 3Å; R78-H82 PolarHBondContact NH2-O 3.16Å; R78-F96 HydrophobicContact CB-CD1 4.47Å; R78-D97 VanDerWaalsContact CA-OD1 3.25Å; R78-D97 WeakPolarHBondContact CA-OD1 3.5Å; R78-D97 VanDerWaalsContact CD-OD1 3.3Å; R78-D97 WeakPolarHBondContact CD-OD1 3.21Å; R78-D97 IonicContact NH1-OD1 2.8Å; R78-W190 WeakPolarHBondContact CB-O 3.46Å; R78-W190 VanDerWaalsContact CD-NE1 3.34Å; R78-W190 HydrophobicContact CG-CD2 4.33Å; R78-W190 HydrophobicContact CG-CG 4Å; R78-W190 WeakPolarHBondContact CG-O 3.38Å; R78-W190 VanDerWaalsContact CZ-CZ2 3.46Å; R78-Y192 PolarHBondContact O-N 2.94Å; R78-S193 PolarHBondContact N-O 3.18Å
79G94.2Very high84.9Confident26 Ų2654.4 Ų54.427%0.26831%0.312SS..  trans-85.4-16.9-17800000114.5D97 K191G79-D97 PolarHBondContact N-OD1 2.93Å; G79-D97 PolarHBondContact N-OD2 2.96Å; G79-K191 WeakPolarHBondContact O-CD 3.48Å; G79-K191 WeakPolarHBondContact O-CE 3.32Å
80T91.9Very high85.8Confident36 Ų3658.3 Ų58.322%0.22133%0.327CS..  trans-125.4155.6-169.762.20000113.3R78 H82 K191R78-T80 WeakPolarHBondContact CG-O 3.33Å; R78-T80 PolarHBondContact NE-O 3Å; T80-H82 VanDerWaalsContact C-N 3.26Å; T80-K191 WeakPolarHBondContact O-CB 3.17Å
81N87.8Confident86.3Confident81 Ų8159 Ų5943%0.43333%0.329SS..  trans-91.519.2169.9-73.3-37.1000112E83 K191N81-E83 PolarHBondContact O-N 3.26Å; N81-K191 WeakPolarHBondContact OD1-CB 3.36Å
82H87.6Confident86.5Confident130 Ų13056.5 Ų56.560%0.60232%0.321SS*.PPolyproline II helixtrans-63.2137.9178.4-67.1153.1000110.3R78 T80 W190R78-H82 PolarHBondContact NH2-O 3.16Å; T80-H82 VanDerWaalsContact C-N 3.26Å; H82-W190 WeakPolarHBondContact O-CZ3 3.47Å
83E84.8Confident86.5Confident89 Ų8957.4 Ų57.442%0.41633%0.326SS..PPolyproline II helixtrans-58.4157.6176.1-64.6-62.8172.300111.8N81 S85 M187 G188N81-E83 PolarHBondContact O-N 3.26Å; E83-S85 PolarHBondContact O-N 2.92Å; E83-M187 WeakPolarHBondContact OE2-CA 3.38Å; E83-G188 VanDerWaalsContact CD-N 3.27Å; E83-G188 WeakPolarHBondContact OE1-CA 3.49Å; E83-G188 PolarHBondContact OE1-N 3.19Å; E83-G188 PolarHBondContact OE2-N 2.92Å
84P80.8Confident86.4Confident16 Ų1656.2 Ų56.210%0.10432%0.316CS..PPolyproline II helixtrans-57.7129.3173.5-1930000110.9N89 L186 W190P84-N89 WeakPolarHBondContact CB-OD1 3.39Å; P84-L186 HydrophobicContact CG-CB 4.32Å; P84-W190 HydrophobicContact CB-CH2 4.29Å; P84-W190 HydrophobicContact CB-CZ3 4.2Å; P84-W190 HydrophobicContact CG-CH2 4.24Å; P84-W190 HydrophobicContact CG-CZ3 3.66Å
85S78.3Confident86.2Confident73 Ų7359.5 Ų59.551%0.5133%0.328SS..PPolyproline II helixtrans-63.8158.1168.461.60000110.8E83 M87 S88 N89E83-S85 PolarHBondContact O-N 2.92Å; S85-M87 PolarHBondContact O-N 2.86Å; S85-M87 VanDerWaalsContact O-N 3.08Å; S85-S88 WeakPolarHBondContact O-CA 3.3Å; S85-S88 WeakPolarHBondContact O-CB 3.22Å; S85-S88 PolarHBondContact O-N 2.68Å; S85-S88 PolarHBondContact OG-N 2.81Å; S85-N89 PolarHBondContact O-N 2.82Å
86D71.6Confident86.2Confident136 Ų13658.1 Ų58.173%0.72732%0.319SS*.Hα-helixtrans-50.3-38.8176.8-62.5-31.8000113.2S88 N89 T90D86-S88 VanDerWaalsContact C-N 3.34Å; D86-S88 PolarHBondContact O-N 2.95Å; D86-N89 WeakPolarHBondContact O-CB 3.19Å; D86-N89 PolarHBondContact O-N 2.84Å; D86-T90 PolarHBondContact O-N 2.91Å; D86-T90 PolarHBondContact O-OG1 3.4Å
87M60.5Low86Confident147 Ų14760.6 Ų60.672%0.72433%0.332SS*.Hα-helixtrans-65.3-34.8177.2-164.9-176-41.300113.2S85 S91S85-M87 PolarHBondContact O-N 2.86Å; S85-M87 VanDerWaalsContact O-N 3.08Å; M87-S91 WeakPolarHBondContact O-CB 3.36Å; M87-S91 PolarHBondContact O-N 3.28Å; M87-S91 PolarHBondContact O-OG 3.26Å
88S70.2Confident86Confident15 Ų1563.9 Ų63.911%0.10535%0.346CS..Hα-helixtrans-72.7-35.3174.1-178.10000110.4S85 D86 T90 M92 T93S85-S88 WeakPolarHBondContact O-CA 3.3Å; S85-S88 WeakPolarHBondContact O-CB 3.22Å; S85-S88 PolarHBondContact O-N 2.68Å; S85-S88 PolarHBondContact OG-N 2.81Å; D86-S88 VanDerWaalsContact C-N 3.34Å; D86-S88 PolarHBondContact O-N 2.95Å; S88-T90 VanDerWaalsContact C-N 3.35Å; S88-T90 PolarHBondContact O-N 3.47Å; S88-M92 WeakPolarHBondContact O-CA 3.12Å; S88-M92 PolarHBondContact O-N 3.17Å; S88-T93 PolarHBondContact OG-O 2.75Å
89N72.4Confident86Confident69 Ų6964.9 Ų64.937%0.36936%0.358SS..Hα-helixtrans-67.2-33.1174.7-73.5-30.7000112.9P84 S85 D86 M92P84-N89 WeakPolarHBondContact CB-OD1 3.39Å; S85-N89 PolarHBondContact O-N 2.82Å; D86-N89 WeakPolarHBondContact O-CB 3.19Å; D86-N89 PolarHBondContact O-N 2.84Å; N89-M92 WeakPolarHBondContact O-CE 3.34Å
90T77.1Confident86.2Confident126 Ų12668.5 Ų68.577%0.77337%0.37SS*.Hα-helixtrans-78.4-46.4176.7-49.30000112.5D86 S88D86-T90 PolarHBondContact O-N 2.91Å; D86-T90 PolarHBondContact O-OG1 3.4Å; S88-T90 VanDerWaalsContact C-N 3.35Å; S88-T90 PolarHBondContact O-N 3.47Å
91S82.1Confident86.5Confident55 Ų5569.6 Ų69.639%0.38538%0.377SS..Hα-helixtrans-81-19-177.862.60000113.6M87 T93M87-S91 WeakPolarHBondContact O-CB 3.36Å; M87-S91 PolarHBondContact O-N 3.28Å; M87-S91 PolarHBondContact O-OG 3.26Å; S91-T93 PolarHBondContact O-N 2.87Å; S91-T93 PolarHBondContact OG-N 3.12Å
92M92.2Very high87Confident77 Ų7767.6 Ų67.638%0.37937%0.366SS..  trans52.418.9-167.9-61.6-64.1-173.900113.8S88 N89 K180 L181S88-M92 WeakPolarHBondContact O-CA 3.12Å; S88-M92 PolarHBondContact O-N 3.17Å; N89-M92 WeakPolarHBondContact O-CE 3.34Å; M92-K180 HydrophobicContact CB-CG 4.13Å; M92-K180 CarbonylContact O-C 3.52Å; M92-K180 WeakPolarHBondContact O-CA 3.33Å; M92-L181 WeakPolarHBondContact CB-O 3Å; M92-L181 PolarHBondContact O-N 3.44Å
93T95.4Very high87.4Confident26 Ų2665.7 Ų65.716%0.1636%0.359CS..BIsolated β-bridgetrans-76.6131.6176.3-60.40000109.2S88 S91 Y95 Y178S88-T93 PolarHBondContact OG-O 2.75Å; S91-T93 PolarHBondContact O-N 2.87Å; S91-T93 PolarHBondContact OG-N 3.12Å; T93-Y95 PolarHBondContact O-N 2.89Å; T93-Y178 HydrophobicContact CG2-CD2 4.15Å
94I96.2Very high87.8Confident2 Ų263.3 Ų63.31%0.0136%0.359CS..PPolyproline II helixtrans-82.3118178.4-57.1179.6000108.4F96 V128 V139 L179 L181 L186I94-F96 HydrophobicContact CG2-CE2 4.24Å; I94-F96 HydrophobicContact CG2-CZ 4.21Å; I94-V128 HydrophobicContact CD1-CG1 4.21Å; I94-V128 HydrophobicContact CD1-CG2 3.94Å; I94-V128 HydrophobicContact CG2-CG2 4.49Å; I94-V139 HydrophobicContact CD1-CB 4.32Å; I94-V139 HydrophobicContact CD1-CG1 3.65Å; I94-V139 HydrophobicContact CD1-CG2 3.78Å; I94-L179 HydrophobicContact CB-CB 4.09Å; I94-L179 HydrophobicContact CD1-CB 4.24Å; I94-L179 HydrophobicContact CG1-CB 4.42Å; I94-L179 PolarHBondContact N-O 3.15Å; I94-L181 HydrophobicContact CD1-CB 4.29Å; I94-L181 HydrophobicContact CG1-CB 4.15Å; I94-L186 HydrophobicContact CD1-CD1 4.31Å; I94-L186 HydrophobicContact CG1-CD1 4.13Å; I94-L186 HydrophobicContact CG2-CD1 4.29Å
95Y95.3Very high88.6Confident74 Ų7469 Ų6929%0.2939%0.388SS..PPolyproline II helixtrans-96.4145.6-174.3175.4-93.5000113T93 D97 L109 K110 S112 W190T93-Y95 PolarHBondContact O-N 2.89Å; Y95-D97 HydrophobicContact CE1-CB 3.8Å; Y95-L109 WeakPolarHBondContact CE2-O 3.39Å; Y95-K110 WeakPolarHBondContact CD2-O 3.3Å; Y95-K110 WeakPolarHBondContact CE2-O 3.36Å; Y95-S112 WeakPolarHBondContact CA-OG 3.23Å; Y95-S112 VanDerWaalsContact CD2-OG 3.23Å; Y95-S112 WeakPolarHBondContact CD2-OG 3.3Å; Y95-W190 PolarHBondContact O-NE1 3.22Å
96F97Very high89.5Confident0 Ų068.1 Ų68.10%038%0.376CS..  trans-120.5130.3174.6-60.4-90.4000109.4A76 R78 I94 L109 S112 L179 F195A76-F96 HydrophobicContact CB-CB 3.75Å; A76-F96 HydrophobicContact CB-CD1 4.45Å; A76-F96 HydrophobicContact CB-CG 4.03Å; R78-F96 HydrophobicContact CB-CD1 4.47Å; I94-F96 HydrophobicContact CG2-CE2 4.24Å; I94-F96 HydrophobicContact CG2-CZ 4.21Å; F96-L109 WeakPolarHBondContact O-CD1 3.19Å; F96-S112 PolarHBondContact N-OG 3.06Å; F96-L179 HydrophobicContact CE2-CD1 4.04Å; F96-L179 HydrophobicContact CZ-CD1 3.85Å; F96-F195 HydrophobicContact CD2-CB 4.21Å; F96-F195 HydrophobicContact CE1-CB 3.9Å; F96-F195 HydrophobicContact CE2-CB 3.53Å; F96-F195 HydrophobicContact CE2-CD1 4.05Å; F96-F195 HydrophobicContact CE2-CG 4.21Å; F96-F195 HydrophobicContact CZ-CB 3.36Å; F96-F195 HydrophobicContact CZ-CG 4.4Å
97D95.9Very high90.8Very high52 Ų5261.9 Ų61.928%0.27834%0.343SS..SBendtrans-91.2-11.9-175.256-57.3000113.9V77 R78 G79 Y95V77-D97 PolarHBondContact O-N 2.75Å; R78-D97 VanDerWaalsContact CA-OD1 3.25Å; R78-D97 WeakPolarHBondContact CA-OD1 3.5Å; R78-D97 VanDerWaalsContact CD-OD1 3.3Å; R78-D97 WeakPolarHBondContact CD-OD1 3.21Å; R78-D97 IonicContact NH1-OD1 2.8Å; G79-D97 PolarHBondContact N-OD1 2.93Å; G79-D97 PolarHBondContact N-OD2 2.96Å; Y95-D97 HydrophobicContact CE1-CB 3.8Å
98Q97.6Very high92.5Very high95 Ų9559 Ų5944%0.44433%0.33SS..EExtended strand (participates in β ladder)trans-136.1126.9-176.9-175.2178.91.100111.4A76 V77 L100A76-Q98 CarbonylContact C-O 3.54Å; A76-Q98 VanDerWaalsContact CA-O 3.23Å; A76-Q98 WeakPolarHBondContact CA-O 3.36Å; V77-Q98 HydrophobicContact CG2-CB 3.89Å; V77-Q98 HydrophobicContact CG2-CG 4.2Å; V77-Q98 PolarHBondContact N-O 2.9Å; V77-Q98 PolarHBondContact O-N 2.76Å; Q98-L100 HydrophobicContact CG-CD2 4.26Å
99A97.7Very high93.8Very high38 Ų3860.8 Ų60.831%0.31434%0.338SS..EExtended strand (participates in β ladder)trans-94.1122166.300000109.6S75 L109S75-A99 CarbonylContact O-C 3.56Å; A99-L109 HydrophobicContact CB-CD1 4.26Å
100L98.2Very high94.8Very high101 Ų10166 Ų6653%0.52936%0.357SS..EExtended strand (participates in β ladder)trans-83.6-36.1171.2-57.7-177.9000111.2S75 V77 Q98S75-L100 PolarHBondContact O-N 3.45Å; V77-L100 HydrophobicContact CG1-CD1 3.59Å; V77-L100 HydrophobicContact CG1-CG 4.07Å; V77-L100 HydrophobicContact CG2-CD1 4.33Å; V77-L100 HydrophobicContact CG2-CD2 4.14Å; V77-L100 HydrophobicContact CG2-CG 4.12Å; Q98-L100 HydrophobicContact CG-CD2 4.26Å
101V98Very high95.6Very high59 Ų5961.6 Ų61.636%0.35833%0.334SS..EExtended strand (participates in β ladder)trans-137138179-1790000108.3A73 F74 S75 I103A73-V101 HydrophobicContact CB-CG1 4.24Å; F74-V101 CarbonylContact C-O 3.49Å; F74-V101 WeakPolarHBondContact CA-O 3.24Å; S75-V101 PolarHBondContact N-O 2.81Å; S75-V101 PolarHBondContact O-N 3.5Å; S75-V101 VanDerWaalsContact O-N 3.16Å; V101-I103 HydrophobicContact CG1-CD1 4.38Å; V101-I103 HydrophobicContact CG1-CG1 3.8Å
102N97.4Very high96.3Very high40 Ų4059 Ų5921%0.21432%0.316CS..EExtended strand (participates in β ladder)trans-152.459.9172.2-160.90.4000111.2A73 G104 N105 H106 F107A73-N102 CarbonylContact O-C 3.53Å; A73-N102 WeakPolarHBondContact O-CA 3.39Å; N102-G104 PolarHBondContact O-N 2.83Å; N102-N105 PolarHBondContact O-N 2.86Å; N102-N105 VanDerWaalsContact O-N 3.09Å; N102-N105 PolarHBondContact O-OD1 2.85Å; N102-N105 WeakPolarHBondContact OD1-CA 3.26Å; N102-H106 PolarHBondContact OD1-N 2.9Å; N102-F107 PolarHBondContact ND2-O 3.42Å; N102-F107 PolarHBondContact OD1-N 2.8Å
103I96.7Very high96.6Very high89 Ų8955.8 Ų55.846%0.45630%0.301SS..EExtended strand (participates in β ladder)trans-68.4119.4179.6-52.9-56.9000109.2K71 A73 V101K71-I103 HydrophobicContact CB-CG2 4.09Å; A73-I103 HydrophobicContact CB-CB 4.44Å; A73-I103 HydrophobicContact CB-CG1 4.42Å; A73-I103 PolarHBondContact N-O 3Å; A73-I103 PolarHBondContact O-N 3.01Å; V101-I103 HydrophobicContact CG1-CD1 4.38Å; V101-I103 HydrophobicContact CG1-CG1 3.8Å
104G93.9Very high96.8Very high40 Ų4054.6 Ų54.641%0.41229%0.293SS..THydrogen-bonded Turntrans91.2-6.8-175.100000114.3N102 H106N102-G104 PolarHBondContact O-N 2.83Å; G104-H106 VanDerWaalsContact C-N 3.26Å; G104-H106 PolarHBondContact O-CD2 2.92Å; G104-H106 PolarHBondContact O-CE1 2.85Å; G104-H106 PolarHBondContact O-N 2.8Å; G104-H106 PolarHBondContact O-ND1 2.9Å; G104-H106 PolarHBondContact O-NE2 2.9Å
105N96.4Very high96.9Very high134 Ų13458.3 Ų58.372%0.71731%0.311SS*.SBendtrans55.638.5-178.7-60.1-43.9000113.6N102N102-N105 PolarHBondContact O-N 2.86Å; N102-N105 VanDerWaalsContact O-N 3.09Å; N102-N105 PolarHBondContact O-OD1 2.85Å; N102-N105 WeakPolarHBondContact OD1-CA 3.26Å
106H97.4Very high97Very high56 Ų5654.8 Ų54.826%0.25930%0.297SS..  trans-96.4-1.5-178-63.6-49.3000113.5N102 G104 F114 Q115 P117N102-H106 PolarHBondContact OD1-N 2.9Å; G104-H106 VanDerWaalsContact C-N 3.26Å; G104-H106 PolarHBondContact O-CD2 2.92Å; G104-H106 PolarHBondContact O-CE1 2.85Å; G104-H106 PolarHBondContact O-N 2.8Å; G104-H106 PolarHBondContact O-ND1 2.9Å; G104-H106 PolarHBondContact O-NE2 2.9Å; H106-F114 HydrophobicContact CB-CD2 4.3Å; H106-F114 HydrophobicContact CB-CE2 3.81Å; H106-F114 WeakPolarHBondContact O-CA 3.22Å; H106-Q115 WeakPolarHBondContact CB-O 3.44Å; H106-Q115 PolarHBondContact O-N 3.31Å; H106-P117 VanDerWaalsContact CE1-CB 3.41Å; H106-P117 WeakPolarHBondContact CE1-CB 3.33Å; H106-P117 WeakPolarHBondContact NE2-CB 3.37Å
107F98.5Very high97Very high5 Ų556.3 Ų56.32%0.02231%0.307CS..EExtended strand (participates in β ladder)trans-102.6113.7168-173.8-102.9000109.8F74 A76 N102 L109 F114 F195F74-F107 HydrophobicContact CB-CB 3.66Å; F74-F107 HydrophobicContact CB-CG 4.17Å; F74-F107 HydrophobicContact CD2-CB 4.03Å; F74-F107 HydrophobicContact CD2-CD1 4.28Å; F74-F107 AromaticContact CD2-CD2 3.37Å; F74-F107 HydrophobicContact CD2-CD2 3.37Å; F74-F107 AromaticContact CD2-CE2 3.81Å; F74-F107 HydrophobicContact CD2-CE2 3.81Å; F74-F107 AromaticContact CD2-CG 3.63Å; F74-F107 HydrophobicContact CD2-CG 3.63Å; F74-F107 HydrophobicContact CD2-CZ 4.41Å; F74-F107 AromaticContact CE2-CD2 3.55Å; F74-F107 HydrophobicContact CE2-CD2 3.55Å; F74-F107 AromaticContact CE2-CE2 3.64Å; F74-F107 HydrophobicContact CE2-CE2 3.64Å; F74-F107 HydrophobicContact CE2-CG 4.28Å; F74-F107 HydrophobicContact CE2-CZ 4.43Å; F74-F107 HydrophobicContact CG-CB 3.83Å; F74-F107 AromaticContact CG-CD2 3.93Å; F74-F107 HydrophobicContact CG-CD2 3.93Å; F74-F107 AromaticContact CG-CG 3.98Å; F74-F107 HydrophobicContact CG-CG 3.98Å; F74-F107 HydrophobicContact CZ-CD2 4.23Å; F74-F107 HydrophobicContact CZ-CE2 4.47Å; A76-F107 HydrophobicContact CB-CD1 4.32Å; A76-F107 HydrophobicContact CB-CE1 3.55Å; A76-F107 HydrophobicContact CB-CZ 3.83Å; N102-F107 PolarHBondContact ND2-O 3.42Å; N102-F107 PolarHBondContact OD1-N 2.8Å; F107-L109 HydrophobicContact CE1-CD1 4Å; F107-L109 PolarHBondContact O-N 2.99Å; F107-F114 HydrophobicContact CD2-CB 4.06Å; F107-F195 AromaticContact CE2-CD1 3.92Å; F107-F195 HydrophobicContact CE2-CD1 3.92Å; F107-F195 AromaticContact CE2-CE1 3.97Å; F107-F195 HydrophobicContact CE2-CE1 3.97Å; F107-F195 HydrophobicContact CZ-CD1 4.35Å
108D97.9Very high97Very high86 Ų8658.5 Ų58.546%0.4631%0.311SS..EExtended strand (participates in β ladder)trans-77.8106170.1178.2-3000108.5K110 A111 S112 V113D108-K110 VanDerWaalsContact C-N 3.3Å; D108-K110 PolarHBondContact O-N 3.18Å; D108-K110 WeakPolarHBondContact OD1-CB 3.35Å; D108-K110 PolarHBondContact OD1-N 3.02Å; D108-A111 HydrophobicContact CB-CB 4.22Å; D108-A111 PolarHBondContact O-N 3.44Å; D108-A111 PolarHBondContact OD1-N 3.48Å; D108-A111 WeakPolarHBondContact OD2-CB 3.44Å; D108-S112 WeakPolarHBondContact O-CA 3.25Å; D108-S112 PolarHBondContact O-N 2.84Å; D108-V113 PolarHBondContact N-O 3.46Å; D108-V113 PolarHBondContact O-N 2.77Å
109L96Very high97Very high53 Ų5359 Ų5928%0.27731%0.309SS..THydrogen-bonded Turntrans-62-37.8179.6-173.363.4000111.9Y95 F96 A99 F107 S112Y95-L109 WeakPolarHBondContact CE2-O 3.39Å; F96-L109 WeakPolarHBondContact O-CD1 3.19Å; A99-L109 HydrophobicContact CB-CD1 4.26Å; F107-L109 HydrophobicContact CE1-CD1 4Å; F107-L109 PolarHBondContact O-N 2.99Å; L109-S112 PolarHBondContact O-N 3.26Å; L109-S112 PolarHBondContact O-OG 3Å
110K93.5Very high96.9Very high177 Ų17757.2 Ų57.277%0.7729%0.294SS*.THydrogen-bonded Turntrans-66.9-41.7-176.6-172.3-178.6178-175.80111.2Y95 D108Y95-K110 WeakPolarHBondContact CD2-O 3.3Å; Y95-K110 WeakPolarHBondContact CE2-O 3.36Å; D108-K110 VanDerWaalsContact C-N 3.3Å; D108-K110 PolarHBondContact O-N 3.18Å; D108-K110 WeakPolarHBondContact OD1-CB 3.35Å; D108-K110 PolarHBondContact OD1-N 3.02Å
111A94.3Very high96.8Very high34 Ų3453.9 Ų53.928%0.28128%0.277SS..THydrogen-bonded Turntrans-84.1-18.8175.100000112.9D108 V113D108-A111 HydrophobicContact CB-CB 4.22Å; D108-A111 PolarHBondContact O-N 3.44Å; D108-A111 PolarHBondContact OD1-N 3.48Å; D108-A111 WeakPolarHBondContact OD2-CB 3.44Å; A111-V113 VanDerWaalsContact C-N 3.28Å; A111-V113 HydrophobicContact CB-CB 4.12Å; A111-V113 HydrophobicContact CB-CG2 3.77Å
112S97.2Very high96.8Very high0 Ų051.1 Ų51.10%026%0.26CS..THydrogen-bonded Turntrans55.542.3-167.1-67.60000113Y95 F96 D108 L109Y95-S112 WeakPolarHBondContact CA-OG 3.23Å; Y95-S112 VanDerWaalsContact CD2-OG 3.23Å; Y95-S112 WeakPolarHBondContact CD2-OG 3.3Å; F96-S112 PolarHBondContact N-OG 3.06Å; D108-S112 WeakPolarHBondContact O-CA 3.25Å; D108-S112 PolarHBondContact O-N 2.84Å; L109-S112 PolarHBondContact O-N 3.26Å; L109-S112 PolarHBondContact O-OG 3Å
113V98.3Very high96.8Very high11 Ų1150.7 Ų50.77%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-121129.3-176.8176.80000109.5D108 A111 R176 Y178D108-V113 PolarHBondContact N-O 3.46Å; D108-V113 PolarHBondContact O-N 2.77Å; A111-V113 VanDerWaalsContact C-N 3.28Å; A111-V113 HydrophobicContact CB-CB 4.12Å; A111-V113 HydrophobicContact CB-CG2 3.77Å; V113-R176 HydrophobicContact CG1-CB 3.91Å; V113-R176 HydrophobicContact CG1-CG 4.26Å; V113-Y178 HydrophobicContact CG2-CD1 4.43Å; V113-Y178 HydrophobicContact CG2-CG 4.27Å
114F98.8Very high96.9Very high1 Ų146.6 Ų46.60%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-85.6134.7165.1177-100.8000109.8V72 F74 H106 F107 A116 Y122 F124 L171 R176 V177V72-F114 HydrophobicContact CG1-CE2 3.79Å; V72-F114 HydrophobicContact CG1-CZ 3.81Å; F74-F114 HydrophobicContact CD1-CB 4.4Å; F74-F114 AromaticContact CD1-CD2 3.41Å; F74-F114 HydrophobicContact CD1-CD2 3.41Å; F74-F114 VanDerWaalsContact CD1-CD2 3.41Å; F74-F114 AromaticContact CD1-CE2 3.92Å; F74-F114 HydrophobicContact CD1-CE2 3.92Å; F74-F114 HydrophobicContact CD1-CG 4.07Å; F74-F114 HydrophobicContact CE1-CB 3.87Å; F74-F114 AromaticContact CE1-CD2 3.56Å; F74-F114 HydrophobicContact CE1-CD2 3.56Å; F74-F114 HydrophobicContact CE1-CE2 4.24Å; F74-F114 AromaticContact CE1-CG 3.73Å; F74-F114 HydrophobicContact CE1-CG 3.73Å; F74-F114 HydrophobicContact CG-CD2 4.28Å; F74-F114 HydrophobicContact CZ-CB 4.07Å; F74-F114 HydrophobicContact CZ-CG 4.42Å; H106-F114 HydrophobicContact CB-CD2 4.3Å; H106-F114 HydrophobicContact CB-CE2 3.81Å; H106-F114 WeakPolarHBondContact O-CA 3.22Å; F107-F114 HydrophobicContact CD2-CB 4.06Å; F114-A116 HydrophobicContact CE1-CB 4.19Å; F114-Y122 HydrophobicContact CE1-CD1 4Å; F114-Y122 AromaticContact CE1-CE1 3.99Å; F114-Y122 HydrophobicContact CE1-CE1 3.99Å; F114-Y122 AromaticContact CZ-CD1 3.95Å; F114-Y122 HydrophobicContact CZ-CD1 3.95Å; F114-Y122 AromaticContact CZ-CE1 3.7Å; F114-Y122 HydrophobicContact CZ-CE1 3.7Å; F114-F124 HydrophobicContact CB-CE1 4.42Å; F114-F124 AromaticContact CD1-CE1 3.77Å; F114-F124 HydrophobicContact CD1-CE1 3.77Å; F114-F124 AromaticContact CD1-CZ 3.7Å; F114-F124 HydrophobicContact CD1-CZ 3.7Å; F114-F124 HydrophobicContact CE1-CE1 4.27Å; F114-F124 AromaticContact CE1-CZ 3.91Å; F114-F124 HydrophobicContact CE1-CZ 3.91Å; F114-F124 HydrophobicContact CG-CE1 4.14Å; F114-L171 HydrophobicContact CD1-CD1 4.43Å; F114-L171 HydrophobicContact CE1-CD1 4.06Å; F114-R176 CarbonylContact O-C 3.54Å; F114-R176 WeakPolarHBondContact O-CA 3.39Å; F114-V177 HydrophobicContact CB-CB 4.42Å; F114-V177 HydrophobicContact CD1-CB 4.37Å; F114-V177 PolarHBondContact N-O 3.08Å; F114-V177 PolarHBondContact O-N 3.16Å
115Q98.6Very high97.1Very high79 Ų7945.6 Ų45.637%0.36923%0.229SC..EExtended strand (participates in β ladder)trans-117.4121.8173.4-173.6176.352.100110H106 P117 E174 D175H106-Q115 WeakPolarHBondContact CB-O 3.44Å; H106-Q115 PolarHBondContact O-N 3.31Å; Q115-P117 VanDerWaalsContact O-CD 3.29Å; Q115-P117 WeakPolarHBondContact O-CD 2.9Å; Q115-E174 PolarHBondContact NE2-OE2 3.01Å; Q115-E174 PolarHBondContact OE1-OE2 3.3Å; Q115-D175 CarbonylContact C-O 3.53Å; Q115-D175 WeakPolarHBondContact CA-O 3.44Å
116A98.1Very high97.2Very high0 Ų039.2 Ų39.20%019%0.194CC..  trans-67119-178.200000111.1F114 R118 Y122 L171 E172 R173 E174 D175F114-A116 HydrophobicContact CE1-CB 4.19Å; A116-R118 PolarHBondContact O-N 2.95Å; A116-Y122 HydrophobicContact CB-CE2 4.38Å; A116-L171 HydrophobicContact CB-CB 3.82Å; A116-L171 HydrophobicContact CB-CD1 3.9Å; A116-E172 VanDerWaalsContact CB-O 3.24Å; A116-E172 WeakPolarHBondContact CB-O 3.33Å; A116-R173 WeakPolarHBondContact O-CA 3.32Å; A116-E174 PolarHBondContact O-N 2.86Å; A116-D175 HydrophobicContact CB-CB 4.29Å; A116-D175 PolarHBondContact N-O 3.04Å
117P97.1Very high97.2Very high33 Ų3340.9 Ų40.921%0.21420%0.202CC..SBendtrans-75.4-16.2-179.729.7-36.7000113.8V72 H106 Q115 R173V72-P117 HydrophobicContact CG1-CG 4.27Å; V72-P117 HydrophobicContact CG2-CG 3.75Å; H106-P117 VanDerWaalsContact CE1-CB 3.41Å; H106-P117 WeakPolarHBondContact CE1-CB 3.33Å; H106-P117 WeakPolarHBondContact NE2-CB 3.37Å; Q115-P117 VanDerWaalsContact O-CD 3.29Å; Q115-P117 WeakPolarHBondContact O-CD 2.9Å; P117-R173 WeakPolarHBondContact O-CG 3.23Å
118R95.9Very high97.2Very high98 Ų9840.7 Ų40.737%0.3720%0.201SC..SBendtrans-162.9163.9-176.665.2-175-60.6169.32.8111.3A116 Y122A116-R118 PolarHBondContact O-N 2.95Å; R118-Y122 PolarHBondContact O-OH 3.28Å
119R97.2Very high97Very high106 Ų10637.7 Ų37.740%0.419%0.186SC..SBendtrans-63.2134.9172-166.5-179.1-179.1-137.5-9.1111.9L171 E172 L203R119-L171 VanDerWaalsContact CA-O 3.26Å; R119-L171 WeakPolarHBondContact CA-O 3.34Å; R119-E172 WeakPolarHBondContact CD-OE1 3.34Å; R119-E172 WeakPolarHBondContact CD-OE2 3.33Å; R119-E172 WeakPolarHBondContact CG-OE1 3.33Å; R119-E172 VanDerWaalsContact CG-OE2 3.22Å; R119-E172 WeakPolarHBondContact CG-OE2 3.27Å; R119-E172 IonicContact CZ-OE1 3.74Å; R119-E172 IonicContact NE-OE1 3.94Å; R119-E172 PolarHBondContact NE-OE1 2.75Å; R119-E172 IonicContact NE-OE2 2.9Å; R119-L203 HydrophobicContact CG-CB 4.13Å; R119-L203 PolarHBondContact O-N 3.02Å; R119-L203 VanDerWaalsContact O-N 3.15Å
120G95.9Very high96.6Very high0 Ų035.2 Ų35.20%017%0.173CC..EExtended strand (participates in β ladder)trans172.3179.9179.400000114.1Y122 Q170 L171 F201G120-Y122 WeakPolarHBondContact O-CD2 3.4Å; G120-Q170 WeakPolarHBondContact O-CA 3.4Å; G120-L171 PolarHBondContact N-O 3.32Å; G120-L171 VanDerWaalsContact N-O 3.12Å; G120-L171 PolarHBondContact O-N 3.17Å; G120-F201 WeakPolarHBondContact CA-O 3.5Å
121I96.6Very high96Very high31 Ų3127 Ų2716%0.15914%0.137CC..EExtended strand (participates in β ladder)trans-96.7124.4171.3-58.9-55.4000109.3L168 Q170 V200 F201 L203I121-L168 HydrophobicContact CG2-CB 4.4Å; I121-L168 HydrophobicContact CG2-CD2 4.3Å; I121-Q170 HydrophobicContact CD1-CB 3.63Å; I121-Q170 HydrophobicContact CD1-CG 4.02Å; I121-V200 HydrophobicContact CG2-CB 4.38Å; I121-V200 HydrophobicContact CG2-CG2 4.31Å; I121-V200 WeakPolarHBondContact O-CB 3.34Å; I121-V200 PolarHBondContact O-N 3.06Å; I121-F201 HydrophobicContact CB-CD2 4.32Å; I121-F201 HydrophobicContact CB-CE1 4.3Å; I121-F201 HydrophobicContact CB-CE2 3.87Å; I121-F201 HydrophobicContact CB-CZ 3.85Å; I121-F201 HydrophobicContact CG1-CD2 4.14Å; I121-F201 HydrophobicContact CG1-CE1 4.43Å; I121-F201 HydrophobicContact CG1-CE2 3.34Å; I121-F201 HydrophobicContact CG1-CZ 3.51Å; I121-F201 HydrophobicContact CG2-CZ 4.36Å; I121-F201 PolarHBondContact N-O 3.07Å; I121-L203 HydrophobicContact CD1-CD1 4.06Å; I121-L203 HydrophobicContact CG1-CD1 4.27Å
122Y97.6Very high94.9Very high0 Ų032.9 Ų32.90%015%0.154CC..EExtended strand (participates in β ladder)trans-116.3146.3-178.4-66.5-99000110.7V72 F114 A116 R118 G120 F124 L168 L169 L171 F198 L199V72-Y122 HydrophobicContact CG1-CE1 4.26Å; F114-Y122 HydrophobicContact CE1-CD1 4Å; F114-Y122 AromaticContact CE1-CE1 3.99Å; F114-Y122 HydrophobicContact CE1-CE1 3.99Å; F114-Y122 AromaticContact CZ-CD1 3.95Å; F114-Y122 HydrophobicContact CZ-CD1 3.95Å; F114-Y122 AromaticContact CZ-CE1 3.7Å; F114-Y122 HydrophobicContact CZ-CE1 3.7Å; A116-Y122 HydrophobicContact CB-CE2 4.38Å; R118-Y122 PolarHBondContact O-OH 3.28Å; G120-Y122 WeakPolarHBondContact O-CD2 3.4Å; Y122-F124 HydrophobicContact CG-CE2 4.47Å; Y122-F124 HydrophobicContact CG-CZ 4.48Å; Y122-L168 CarbonylContact O-C 3.56Å; Y122-L168 VanDerWaalsContact O-CA 3.27Å; Y122-L168 WeakPolarHBondContact O-CA 3.26Å; Y122-L169 PolarHBondContact N-O 2.54Å; Y122-L169 PolarHBondContact O-N 3.15Å; Y122-L171 HydrophobicContact CD2-CB 3.72Å; Y122-L171 HydrophobicContact CD2-CD1 3.72Å; Y122-L171 HydrophobicContact CD2-CG 3.83Å; Y122-L171 HydrophobicContact CE2-CB 3.77Å; Y122-L171 HydrophobicContact CE2-CD1 4.2Å; Y122-L171 HydrophobicContact CE2-CG 4.34Å; Y122-L171 HydrophobicContact CG-CD1 3.91Å; Y122-L171 HydrophobicContact CG-CG 4.42Å; Y122-F198 CarbonylContact C-O 3.55Å; Y122-F198 WeakPolarHBondContact CA-O 3.07Å; Y122-L199 HydrophobicContact CD1-CB 4Å; Y122-L199 HydrophobicContact CD1-CD1 4.24Å; Y122-L199 HydrophobicContact CD2-CD1 4.26Å; Y122-L199 HydrophobicContact CE1-CB 3.72Å; Y122-L199 HydrophobicContact CE1-CD1 3.85Å; Y122-L199 HydrophobicContact CE1-CG 4.33Å; Y122-L199 HydrophobicContact CE2-CD1 3.88Å; Y122-L199 HydrophobicContact CG-CD1 4.44Å
123S97.4Very high93.7Very high31 Ų3133.6 Ų33.622%0.21716%0.157CC..EExtended strand (participates in β ladder)trans-103.9135.3170.1-171.40000109.8G197 F198S123-G197 CarbonylContact O-C 3.57Å; S123-G197 WeakPolarHBondContact O-CA 3.34Å; S123-F198 PolarHBondContact N-O 3.09Å; S123-F198 PolarHBondContact O-N 2.77Å
124F98.5Very high92.8Very high4 Ų441.5 Ų41.52%0.01819%0.186CC..EExtended strand (participates in β ladder)trans-127.8140.8173.2-62.8-82.9000110.6F74 F114 Y122 L141 G166 V167 L169 L171 V177 F195 S196F74-F124 HydrophobicContact CE1-CD1 4.03Å; F74-F124 AromaticContact CE1-CE1 3.72Å; F74-F124 HydrophobicContact CE1-CE1 3.72Å; F74-F124 HydrophobicContact CZ-CD1 4.01Å; F74-F124 HydrophobicContact CZ-CE1 4.04Å; F114-F124 HydrophobicContact CB-CE1 4.42Å; F114-F124 AromaticContact CD1-CE1 3.77Å; F114-F124 HydrophobicContact CD1-CE1 3.77Å; F114-F124 AromaticContact CD1-CZ 3.7Å; F114-F124 HydrophobicContact CD1-CZ 3.7Å; F114-F124 HydrophobicContact CE1-CE1 4.27Å; F114-F124 AromaticContact CE1-CZ 3.91Å; F114-F124 HydrophobicContact CE1-CZ 3.91Å; F114-F124 HydrophobicContact CG-CE1 4.14Å; Y122-F124 HydrophobicContact CG-CE2 4.47Å; Y122-F124 HydrophobicContact CG-CZ 4.48Å; F124-L141 HydrophobicContact CB-CD1 4.47Å; F124-L141 HydrophobicContact CB-CD2 4.03Å; F124-L141 HydrophobicContact CG-CD2 4.43Å; F124-G166 CarbonylContact O-C 3.6Å; F124-G166 WeakPolarHBondContact O-CA 3.35Å; F124-V167 PolarHBondContact N-O 2.92Å; F124-V167 PolarHBondContact O-N 3.43Å; F124-L169 HydrophobicContact CD2-CB 4.47Å; F124-L169 HydrophobicContact CE2-CB 4.41Å; F124-L171 HydrophobicContact CE2-CD1 3.84Å; F124-L171 HydrophobicContact CZ-CD1 3.72Å; F124-V177 HydrophobicContact CD1-CG1 4.05Å; F124-V177 HydrophobicContact CD2-CG1 4.41Å; F124-V177 HydrophobicContact CE1-CB 4.07Å; F124-V177 HydrophobicContact CE1-CG1 3.84Å; F124-V177 HydrophobicContact CE1-CG2 4.45Å; F124-V177 HydrophobicContact CE2-CG1 4.24Å; F124-V177 HydrophobicContact CE2-CG2 4.17Å; F124-V177 HydrophobicContact CG-CG1 4.33Å; F124-V177 HydrophobicContact CZ-CB 3.99Å; F124-V177 HydrophobicContact CZ-CG1 3.96Å; F124-V177 HydrophobicContact CZ-CG2 3.86Å; F124-F195 HydrophobicContact CB-CE2 4.48Å; F124-F195 HydrophobicContact CD1-CE2 4.02Å; F124-F195 HydrophobicContact CD1-CZ 4.17Å; F124-S196 WeakPolarHBondContact CA-O 3.31Å
125G98.3Very high92.1Very high19 Ų1946.5 Ų46.520%0.19621%0.209CC..EExtended strand (participates in β ladder)trans-141.5137.6173.100000110.3S196G125-S196 PolarHBondContact N-O 3.1Å; G125-S196 PolarHBondContact O-N 3.22Å; G125-S196 PolarHBondContact O-OG 3.09Å
126F98.6Very high91.7Very high0 Ų046 Ų460%021%0.212CC..EExtended strand (participates in β ladder)trans-139.2151.6176.969.1-92.2000112.1V128 V139 L141 I149 A151 S164 N165 L179 T194 F195F126-V128 HydrophobicContact CD2-CG2 4.25Å; F126-V139 HydrophobicContact CD2-CG1 4.13Å; F126-V139 HydrophobicContact CE2-CB 4.08Å; F126-V139 HydrophobicContact CE2-CG1 3.67Å; F126-V139 HydrophobicContact CZ-CG1 4.26Å; F126-L141 HydrophobicContact CE1-CB 4.07Å; F126-I149 HydrophobicContact CE1-CD1 3.86Å; F126-I149 HydrophobicContact CE1-CG1 4.32Å; F126-A151 HydrophobicContact CE2-CB 3.7Å; F126-A151 HydrophobicContact CZ-CB 3.78Å; F126-S164 WeakPolarHBondContact O-CA 3.41Å; F126-N165 WeakPolarHBondContact CD1-O 3.1Å; F126-N165 HydrophobicContact CE1-CB 3.87Å; F126-N165 HydrophobicContact CE2-CB 4.44Å; F126-N165 HydrophobicContact CZ-CB 3.71Å; F126-N165 PolarHBondContact N-O 2.9Å; F126-N165 PolarHBondContact O-N 2.88Å; F126-N165 VanDerWaalsContact O-N 3.17Å; F126-L179 HydrophobicContact CB-CD1 3.62Å; F126-L179 HydrophobicContact CB-CD2 4.05Å; F126-L179 HydrophobicContact CB-CG 4.46Å; F126-L179 HydrophobicContact CD1-CD2 3.67Å; F126-L179 HydrophobicContact CD2-CD1 4.24Å; F126-L179 HydrophobicContact CD2-CD2 4.25Å; F126-L179 HydrophobicContact CE1-CD2 4.12Å; F126-L179 HydrophobicContact CG-CD1 3.97Å; F126-L179 HydrophobicContact CG-CD2 3.73Å; F126-T194 VanDerWaalsContact CA-O 3.32Å; F126-T194 WeakPolarHBondContact CA-O 2.82Å; F126-F195 HydrophobicContact CB-CD2 3.98Å
127H98.1Very high91.5Very high91 Ų9146 Ų4642%0.42121%0.212SC..EExtended strand (participates in β ladder)trans-138.7109.4173.3-59-84.9000106.8S164 S193 T194H127-S164 WeakPolarHBondContact ND1-CB 3.43Å; H127-S164 PolarHBondContact ND1-OG 3.38Å; H127-S193 CarbonylContact O-C 3.5Å; H127-S193 WeakPolarHBondContact O-CA 3.43Å; H127-S193 WeakPolarHBondContact O-CB 3.39Å; H127-T194 PolarHBondContact CD2-OG1 3Å; H127-T194 PolarHBondContact N-O 3.42Å; H127-T194 PolarHBondContact O-N 3.05Å
128V97.1Very high91.5Very high0 Ų046.3 Ų46.30%021%0.21CC..EExtended strand (participates in β ladder)trans-103.2108.5176.2177.10000108.6I94 F126 I137 V139 A162 A163 L179 L186 S193I94-V128 HydrophobicContact CD1-CG1 4.21Å; I94-V128 HydrophobicContact CD1-CG2 3.94Å; I94-V128 HydrophobicContact CG2-CG2 4.49Å; F126-V128 HydrophobicContact CD2-CG2 4.25Å; V128-I137 HydrophobicContact CG1-CD1 4.36Å; V128-V139 HydrophobicContact CB-CG2 4Å; V128-V139 HydrophobicContact CG1-CG2 4.11Å; V128-V139 HydrophobicContact CG2-CG1 3.96Å; V128-V139 HydrophobicContact CG2-CG2 4.13Å; V128-A162 CarbonylContact O-C 3.57Å; V128-A162 VanDerWaalsContact O-CA 3.31Å; V128-A162 WeakPolarHBondContact O-CA 3.49Å; V128-A163 HydrophobicContact CB-CB 4.47Å; V128-A163 PolarHBondContact N-O 3.46Å; V128-A163 PolarHBondContact O-N 3.19Å; V128-L179 HydrophobicContact CG2-CD1 4.11Å; V128-L186 HydrophobicContact CG1-CD2 4.12Å; V128-S193 WeakPolarHBondContact CA-OG 3.47Å
129V94.1Very high91.6Very high23 Ų2341.6 Ų41.614%0.13919%0.192CC..EExtended strand (participates in β ladder)trans-90.2120.7-179.3-177.50000108.3V131 E161 A162 W190 S193V129-V131 HydrophobicContact CG1-CG2 4.46Å; V129-E161 WeakPolarHBondContact CA-O 3.37Å; V129-A162 HydrophobicContact CG2-CB 4.18Å; V129-W190 CarbonylContact O-C 3.58Å; V129-W190 WeakPolarHBondContact O-CA 3.36Å; V129-W190 VanDerWaalsContact O-CB 3.26Å; V129-W190 WeakPolarHBondContact O-CB 3.35Å; V129-S193 PolarHBondContact N-OG 2.82Å; V129-S193 PolarHBondContact O-OG 3.13Å
130K88.2Confident91.7Very high2 Ų236.8 Ų36.81%0.00918%0.175CC..EExtended strand (participates in β ladder)trans-98.4143.6167.562.2166.2-177.2150.40110N133 Q135 I137 E161 L186K130-N133 HydrophobicContact CD-CB 4.29Å; K130-N133 PolarHBondContact NZ-O 3.4Å; K130-Q135 PolarHBondContact NZ-O 3.48Å; K130-I137 HydrophobicContact CB-CD1 4.16Å; K130-I137 HydrophobicContact CD-CD1 4.08Å; K130-I137 HydrophobicContact CD-CG1 4.11Å; K130-I137 HydrophobicContact CD-CG2 4.21Å; K130-I137 HydrophobicContact CG-CD1 4.13Å; K130-E161 WeakPolarHBondContact CE-OE2 3.23Å; K130-E161 HydrophobicContact CG-CB 4.36Å; K130-E161 PolarHBondContact N-O 3.37Å; K130-E161 IonicContact NZ-OE2 2.84Å; K130-E161 PolarHBondContact NZ-OE2 2.98Å; K130-E161 PolarHBondContact O-N 2.8Å; K130-L186 HydrophobicContact CB-CD2 4.42Å
131V80.2Confident91.8Very high3 Ų336.8 Ų36.82%0.01818%0.175CC..  trans-122.4136176.2-159.10000108.4V129 N133 R160V129-V131 HydrophobicContact CG1-CG2 4.46Å; V131-N133 VanDerWaalsContact C-N 3.3Å; V131-N133 PolarHBondContact O-N 2.93Å; V131-R160 HydrophobicContact CG1-CG 3.95Å
132Y72.3Confident91.9Very high159 Ų15935.6 Ų35.662%0.62417%0.169SC*.SBendtrans6031.9171.7-54.4-67000115.5V158Y132-V158 HydrophobicContact CD1-CG1 3.63Å; Y132-V158 HydrophobicContact CG-CG1 4.37Å
133N71.4Confident91.9Very high14 Ų1437.4 Ų37.48%0.07518%0.177CC..  trans-127.4119.6-179.9-171.4-12.5000112.4K130 V131 Q135 T185K130-N133 HydrophobicContact CD-CB 4.29Å; K130-N133 PolarHBondContact NZ-O 3.4Å; V131-N133 VanDerWaalsContact C-N 3.3Å; V131-N133 PolarHBondContact O-N 2.93Å; N133-Q135 VanDerWaalsContact C-N 3.33Å; N133-Q135 WeakPolarHBondContact OD1-CB 3.39Å; N133-Q135 PolarHBondContact OD1-N 2.82Å; N133-T185 VanDerWaalsContact ND2-CG2 3.26Å; N133-T185 WeakPolarHBondContact ND2-CG2 3.1Å; N133-T185 PolarHBondContact ND2-O 2.89Å
134R78.9Confident91.9Very high178 Ų17838.6 Ų38.667%0.67218%0.181SC*.  trans-79.4-11179.7-64.3-176.3178.6176.8-3.1114V158R134-V158 HydrophobicContact CG-CG2 4.02Å; R134-V158 VanDerWaalsContact NE-CG2 3.32Å
135Q84.9Confident91.8Very high106 Ų10643.2 Ų43.250%0.49521%0.206SC..SBendtrans-79.1138177.5-63.3-174-7.300110.1K130 N133 I137K130-Q135 PolarHBondContact NZ-O 3.48Å; N133-Q135 VanDerWaalsContact C-N 3.33Å; N133-Q135 WeakPolarHBondContact OD1-CB 3.39Å; N133-Q135 PolarHBondContact OD1-N 2.82Å; Q135-I137 PolarHBondContact O-N 2.94Å
136T90.1Very high91.8Very high68 Ų6850.6 Ų50.642%0.41723%0.229SC..PPolyproline II helixtrans-65.2128.9166.4-50.70000109.1A153T136-A153 CarbonylContact C-O 3.6Å; T136-A153 WeakPolarHBondContact CA-O 3.05Å
137I93.6Very high91.8Very high0 Ų054.2 Ų54.20%025%0.252CS..EExtended strand (participates in β ladder)trans-102.4148.7172.962.4169.4000110.6V128 K130 Q135 V139 F152 A153 A163 L181 R183 T185 L186V128-I137 HydrophobicContact CG1-CD1 4.36Å; K130-I137 HydrophobicContact CB-CD1 4.16Å; K130-I137 HydrophobicContact CD-CD1 4.08Å; K130-I137 HydrophobicContact CD-CG1 4.11Å; K130-I137 HydrophobicContact CD-CG2 4.21Å; K130-I137 HydrophobicContact CG-CD1 4.13Å; Q135-I137 PolarHBondContact O-N 2.94Å; I137-V139 HydrophobicContact CD1-CG2 4.26Å; I137-F152 WeakPolarHBondContact O-CA 3.43Å; I137-A153 HydrophobicContact CD1-CB 4.18Å; I137-A153 HydrophobicContact CG1-CB 3.83Å; I137-A153 PolarHBondContact N-O 3.43Å; I137-A153 PolarHBondContact O-N 2.81Å; I137-A163 HydrophobicContact CD1-CB 4.25Å; I137-L181 HydrophobicContact CB-CD1 3.93Å; I137-L181 HydrophobicContact CG2-CD1 4.17Å; I137-R183 VanDerWaalsContact CA-O 3.31Å; I137-R183 WeakPolarHBondContact CA-O 3.5Å; I137-T185 WeakPolarHBondContact CG2-O 3.46Å; I137-L186 HydrophobicContact CD1-CD2 4.09Å
138Q96.4Very high91.8Very high39 Ų3953 Ų5318%0.18225%0.249CC..EExtended strand (participates in β ladder)trans-122.2121.9167.6-179.8-178.5-18.100108.9N140 A151 F152 E182 R183Q138-N140 PolarHBondContact NE2-OD1 2.93Å; Q138-A151 WeakPolarHBondContact CA-O 3.32Å; Q138-F152 HydrophobicContact CB-CD1 3.82Å; Q138-F152 HydrophobicContact CB-CE1 3.66Å; Q138-F152 VanDerWaalsContact CD-CE1 3.46Å; Q138-F152 HydrophobicContact CG-CD1 3.93Å; Q138-F152 HydrophobicContact CG-CE1 3.42Å; Q138-F152 VanDerWaalsContact CG-CE1 3.42Å; Q138-F152 HydrophobicContact CG-CZ 3.83Å; Q138-E182 HydrophobicContact CB-CB 4.46Å; Q138-E182 HydrophobicContact CG-CB 4.24Å; Q138-E182 PolarHBondContact O-N 2.85Å; Q138-R183 HydrophobicContact CB-CB 3.81Å; Q138-R183 PolarHBondContact N-O 3.18Å
139V98.1Very high91.9Very high0 Ų054.5 Ų54.50%026%0.256CS..EExtended strand (participates in β ladder)trans-111.5125.5177.1179.10000109I94 F126 V128 I137 S150 A151 A163 L179 K180 L181I94-V139 HydrophobicContact CD1-CB 4.32Å; I94-V139 HydrophobicContact CD1-CG1 3.65Å; I94-V139 HydrophobicContact CD1-CG2 3.78Å; F126-V139 HydrophobicContact CD2-CG1 4.13Å; F126-V139 HydrophobicContact CE2-CB 4.08Å; F126-V139 HydrophobicContact CE2-CG1 3.67Å; F126-V139 HydrophobicContact CZ-CG1 4.26Å; V128-V139 HydrophobicContact CB-CG2 4Å; V128-V139 HydrophobicContact CG1-CG2 4.11Å; V128-V139 HydrophobicContact CG2-CG1 3.96Å; V128-V139 HydrophobicContact CG2-CG2 4.13Å; I137-V139 HydrophobicContact CD1-CG2 4.26Å; V139-S150 CarbonylContact O-C 3.44Å; V139-S150 WeakPolarHBondContact O-CA 3.42Å; V139-A151 PolarHBondContact N-O 2.66Å; V139-A151 PolarHBondContact O-N 2.91Å; V139-A163 HydrophobicContact CB-CB 4.31Å; V139-A163 HydrophobicContact CG2-CB 3.98Å; V139-L179 HydrophobicContact CG1-CB 4.35Å; V139-L179 HydrophobicContact CG1-CD2 4.41Å; V139-K180 WeakPolarHBondContact CA-O 2.95Å; V139-L181 HydrophobicContact CG2-CD1 4.28Å
140N98.6Very high92.1Very high5 Ų555.5 Ų55.53%0.02726%0.264CS..EExtended strand (participates in β ladder)trans-107.9136.9176.5-64-7.5000110Q138 M142 P147 I149 S150 L179 K180 E182Q138-N140 PolarHBondContact NE2-OD1 2.93Å; N140-M142 HydrophobicContact CB-SD 3.59Å; N140-M142 VanDerWaalsContact CB-SD 3.59Å; N140-P147 HydrophobicContact CB-CB 4.17Å; N140-I149 WeakPolarHBondContact CA-O 3.41Å; N140-S150 WeakPolarHBondContact OD1-CB 3.36Å; N140-S150 PolarHBondContact OD1-OG 2.78Å; N140-L179 WeakPolarHBondContact O-CA 3.34Å; N140-K180 PolarHBondContact N-O 3.29Å; N140-K180 PolarHBondContact O-N 3.5Å; N140-E182 WeakPolarHBondContact ND2-CB 3.14Å
141L98.8Very high92.5Very high0 Ų055.7 Ų55.70%027%0.266CS..EExtended strand (participates in β ladder)trans-81.6120.5159.1-174.376.1000108F124 F126 I148 I149 V167 V177 L179 F195F124-L141 HydrophobicContact CB-CD1 4.47Å; F124-L141 HydrophobicContact CB-CD2 4.03Å; F124-L141 HydrophobicContact CG-CD2 4.43Å; F126-L141 HydrophobicContact CE1-CB 4.07Å; L141-I148 PolarHBondContact O-N 2.94Å; L141-I149 HydrophobicContact CB-CD1 4.3Å; L141-I149 HydrophobicContact CB-CG1 3.63Å; L141-I149 HydrophobicContact CD2-CD1 4.16Å; L141-I149 HydrophobicContact CD2-CG1 3.97Å; L141-I149 HydrophobicContact CG-CG1 4.46Å; L141-I149 PolarHBondContact N-O 3.02Å; L141-V167 HydrophobicContact CD2-CG1 3.51Å; L141-V177 HydrophobicContact CD1-CG1 3.55Å; L141-V177 HydrophobicContact CD2-CG1 4.39Å; L141-V177 HydrophobicContact CG-CG1 3.98Å; L141-L179 HydrophobicContact CB-CD2 4.22Å; L141-L179 HydrophobicContact CD1-CD2 3.6Å; L141-F195 HydrophobicContact CD1-CE2 3.77Å; L141-F195 HydrophobicContact CD1-CZ 3.91Å
142M98.6Very high93.2Very high6 Ų661.6 Ų61.63%0.0329%0.291CS..EExtended strand (participates in β ladder)trans-100.7139.9-177-52.2-59.7-68.300110N140 D145 Y146 P147 V177 Y178 K180N140-M142 HydrophobicContact CB-SD 3.59Å; N140-M142 VanDerWaalsContact CB-SD 3.59Å; M142-D145 VanDerWaalsContact CE-C 3.41Å; M142-D145 WeakPolarHBondContact CE-O 3.22Å; M142-Y146 CarbonylContact C-O 3.56Å; M142-Y146 WeakPolarHBondContact CA-O 3.45Å; M142-P147 HydrophobicContact CE-CB 4.41Å; M142-P147 HydrophobicContact SD-CB 3.99Å; M142-V177 VanDerWaalsContact O-CA 3.26Å; M142-V177 WeakPolarHBondContact O-CA 3.24Å; M142-Y178 HydrophobicContact CB-CD1 4.01Å; M142-Y178 HydrophobicContact CB-CD2 4.14Å; M142-Y178 HydrophobicContact CB-CE1 3.71Å; M142-Y178 HydrophobicContact CB-CE2 3.84Å; M142-Y178 HydrophobicContact CB-CG 4.22Å; M142-Y178 HydrophobicContact CG-CD2 4.06Å; M142-Y178 HydrophobicContact CG-CE1 4.41Å; M142-Y178 HydrophobicContact CG-CE2 3.62Å; M142-Y178 PolarHBondContact N-O 3.25Å; M142-Y178 PolarHBondContact O-N 3.42Å; M142-K180 HydrophobicContact CE-CD 4.18Å; M142-K180 HydrophobicContact CG-CB 3.62Å; M142-K180 HydrophobicContact SD-CB 3.97Å; M142-K180 HydrophobicContact SD-CD 4.25Å
143Q98.5Very high94.2Very high37 Ų3754.3 Ų54.317%0.17326%0.264CS..EExtended strand (participates in β ladder)trans-118.8118.2161.7179-173.72.900107.6D145 Y146 I148 L169 L171 D175 R176Q143-D145 PolarHBondContact O-N 2.89Å; Q143-D145 VanDerWaalsContact O-N 3.15Å; Q143-Y146 PolarHBondContact N-O 2.96Å; Q143-Y146 PolarHBondContact O-N 2.95Å; Q143-I148 HydrophobicContact CB-CD1 3.97Å; Q143-I148 HydrophobicContact CB-CG1 3.7Å; Q143-L169 HydrophobicContact CB-CD2 4.21Å; Q143-L169 HydrophobicContact CG-CD2 4.31Å; Q143-L171 HydrophobicContact CG-CD2 4.01Å; Q143-D175 PolarHBondContact NE2-OD2 2.96Å; Q143-R176 WeakPolarHBondContact CA-O 3.11Å
144N97.6Very high94.8Very high57 Ų5755.4 Ų55.431%0.30528%0.279SS..THydrogen-bonded Turntrans46.745.8179.9-58.8-29.4000112.9Y146 D175 R176N144-Y146 VanDerWaalsContact C-N 3.26Å; N144-Y146 VanDerWaalsContact O-CD2 3.23Å; N144-Y146 WeakPolarHBondContact O-CD2 3.36Å; N144-Y146 PolarHBondContact O-N 2.83Å; N144-D175 PolarHBondContact ND2-OD1 2.98Å; N144-R176 PolarHBondContact N-O 3Å; N144-R176 PolarHBondContact OD1-N 2.94Å
145D96.1Very high94.4Very high101 Ų10150 Ų5054%0.5426%0.263SS..THydrogen-bonded Turntrans71.95.4179.8-47-43000116.3M142 Q143 Y178M142-D145 VanDerWaalsContact CE-C 3.41Å; M142-D145 WeakPolarHBondContact CE-O 3.22Å; Q143-D145 PolarHBondContact O-N 2.89Å; Q143-D145 VanDerWaalsContact O-N 3.15Å; D145-Y178 PolarHBondContact OD1-OH 2.93Å
146Y97.8Very high93.3Very high174 Ų17453.3 Ų53.368%0.68228%0.279SS*.EExtended strand (participates in β ladder)trans-101.2133.6170.3-63.5-83.7000111.7M142 Q143 N144M142-Y146 CarbonylContact C-O 3.56Å; M142-Y146 WeakPolarHBondContact CA-O 3.45Å; Q143-Y146 PolarHBondContact N-O 2.96Å; Q143-Y146 PolarHBondContact O-N 2.95Å; N144-Y146 VanDerWaalsContact C-N 3.26Å; N144-Y146 VanDerWaalsContact O-CD2 3.23Å; N144-Y146 WeakPolarHBondContact O-CD2 3.36Å; N144-Y146 PolarHBondContact O-N 2.83Å
147P98.1Very high92.2Very high76 Ų7655.2 Ų55.249%0.49429%0.287SS..EExtended strand (participates in β ladder)trans-74.1129.4177.630.2-33.5000111.2N140 M142N140-P147 HydrophobicContact CB-CB 4.17Å; M142-P147 HydrophobicContact CE-CB 4.41Å; M142-P147 HydrophobicContact SD-CB 3.99Å
148I98.3Very high90.7Very high66 Ų6658.4 Ų58.434%0.33831%0.306SS..EExtended strand (participates in β ladder)trans-101.6-50.6-179.7-57.9-56.6000111.6L141 Q143 L169L141-I148 PolarHBondContact O-N 2.94Å; Q143-I148 HydrophobicContact CB-CD1 3.97Å; Q143-I148 HydrophobicContact CB-CG1 3.7Å; I148-L169 HydrophobicContact CG2-CD1 4.03Å
149I98.5Very high89.6Confident30 Ų3059.1 Ų59.115%0.15431%0.313CS..EExtended strand (participates in β ladder)trans-136.6150.2175.154.2162.4000110F126 N140 L141 N165 V167F126-I149 HydrophobicContact CE1-CD1 3.86Å; F126-I149 HydrophobicContact CE1-CG1 4.32Å; N140-I149 WeakPolarHBondContact CA-O 3.41Å; L141-I149 HydrophobicContact CB-CD1 4.3Å; L141-I149 HydrophobicContact CB-CG1 3.63Å; L141-I149 HydrophobicContact CD2-CD1 4.16Å; L141-I149 HydrophobicContact CD2-CG1 3.97Å; L141-I149 HydrophobicContact CG-CG1 4.46Å; L141-I149 PolarHBondContact N-O 3.02Å; I149-N165 HydrophobicContact CD1-CB 3.95Å; I149-V167 HydrophobicContact CD1-CB 3.86Å; I149-V167 HydrophobicContact CD1-CG1 3.74Å; I149-V167 HydrophobicContact CG1-CB 4.43Å; I149-V167 HydrophobicContact CG1-CG1 4.09Å; I149-V167 HydrophobicContact CG2-CB 4.2Å; I149-V167 HydrophobicContact CG2-CG2 4.28Å
150S98.4Very high88.8Confident44 Ų4467 Ų6731%0.30834%0.343SS..EExtended strand (participates in β ladder)trans-122152.7179.4-48.70000110.9V139 N140 N165V139-S150 CarbonylContact O-C 3.44Å; V139-S150 WeakPolarHBondContact O-CA 3.42Å; N140-S150 WeakPolarHBondContact OD1-CB 3.36Å; N140-S150 PolarHBondContact OD1-OG 2.78Å; S150-N165 PolarHBondContact O-ND2 3.47Å
151A97.8Very high88.4Confident6 Ų668.6 Ų68.65%0.0535%0.35CS..EExtended strand (participates in β ladder)trans-134.9148.9170.500000109.6F126 Q138 V139 A163 N165F126-A151 HydrophobicContact CE2-CB 3.7Å; F126-A151 HydrophobicContact CZ-CB 3.78Å; Q138-A151 WeakPolarHBondContact CA-O 3.32Å; V139-A151 PolarHBondContact N-O 2.66Å; V139-A151 PolarHBondContact O-N 2.91Å; A151-A163 HydrophobicContact CB-CB 3.89Å; A151-N165 HydrophobicContact CB-CB 4.01Å
152F95.2Very high88.1Confident127 Ų12770.9 Ų70.956%0.55737%0.369SS*.EExtended strand (participates in β ladder)trans-123.6146.8-179.5-59.2-92.2000109.8I137 Q138I137-F152 WeakPolarHBondContact O-CA 3.43Å; Q138-F152 HydrophobicContact CB-CD1 3.82Å; Q138-F152 HydrophobicContact CB-CE1 3.66Å; Q138-F152 VanDerWaalsContact CD-CE1 3.46Å; Q138-F152 HydrophobicContact CG-CD1 3.93Å; Q138-F152 HydrophobicContact CG-CE1 3.42Å; Q138-F152 VanDerWaalsContact CG-CE1 3.42Å; Q138-F152 HydrophobicContact CG-CZ 3.83Å
153A91.8Very high88Confident6 Ų670.6 Ų70.65%0.0537%0.368CS..EExtended strand (participates in β ladder)trans-141.1127.6168.200000108.3T136 I137 E161 A163T136-A153 CarbonylContact C-O 3.6Å; T136-A153 WeakPolarHBondContact CA-O 3.05Å; I137-A153 HydrophobicContact CD1-CB 4.18Å; I137-A153 HydrophobicContact CG1-CB 3.83Å; I137-A153 PolarHBondContact N-O 3.43Å; I137-A153 PolarHBondContact O-N 2.81Å; A153-E161 HydrophobicContact CB-CB 3.88Å; A153-A163 HydrophobicContact CB-CB 3.96Å
154G84.6Confident88Confident38 Ų3871.4 Ų71.439%0.39238%0.377SS..  trans-174.3106.2-173.800000112.8E161G154-E161 WeakPolarHBondContact CA-OE2 3.38Å; G154-E161 PolarHBondContact N-OE1 2.86Å; G154-E161 PolarHBondContact N-OE2 2.82Å
155D70.3Confident88Confident63 Ų6371.8 Ų71.834%0.33738%0.38SS..  trans-118148.5166.3-162.1-5.5000109.4T159 E161D155-T159 PolarHBondContact OD2-OG1 2.87Å; D155-E161 VanDerWaalsContact CB-CD 3.46Å; D155-E161 HydrophobicContact CB-CG 4.32Å; D155-E161 WeakPolarHBondContact CB-OE1 3.44Å; D155-E161 PolarHBondContact N-OE1 3.01Å; D155-E161 PolarHBondContact N-OE2 3.46Å
156Q62.7Low88.1Confident176 Ų17668 Ų6882%0.82237%0.365SS*.SBendtrans-72.5-24.8177.6-63.4-170.65.200111.2
157D66.3Low88.1Confident108 Ų10861.5 Ų61.558%0.57834%0.343SS*.SBendtrans-83.4157175.9-69.9-33.2000112.2T159D157-T159 HydrophobicContact CB-CG2 3.93Å; D157-T159 PolarHBondContact O-N 2.92Å
158V63.3Low88Confident68 Ų6863.2 Ų63.241%0.41235%0.347SS..SBendtrans-80.168.7-179.7-169.40000109.3Y132 R134Y132-V158 HydrophobicContact CD1-CG1 3.63Å; Y132-V158 HydrophobicContact CG-CG1 4.37Å; R134-V158 HydrophobicContact CG-CG2 4.02Å; R134-V158 VanDerWaalsContact NE-CG2 3.32Å
159T72.1Confident88Confident53 Ų5361 Ų6133%0.32534%0.336SS..  trans-104.3169-178.260.60000111.4D155 D157D155-T159 PolarHBondContact OD2-OG1 2.87Å; D157-T159 HydrophobicContact CB-CG2 3.93Å; D157-T159 PolarHBondContact O-N 2.92Å
160R82Confident88Confident165 Ų16563.9 Ų63.962%0.62335%0.349SS*.  trans-91.4120.4169.3-76.7-178.5-178.7157.63.5108V131V131-R160 HydrophobicContact CG1-CG 3.95Å
161E89.8Confident88Confident40 Ų4061.8 Ų61.819%0.18733%0.334CS..EExtended strand (participates in β ladder)trans-129.1152.2-179.4-59.8-174.810000110.9V129 K130 A153 G154 D155V129-E161 WeakPolarHBondContact CA-O 3.37Å; K130-E161 WeakPolarHBondContact CE-OE2 3.23Å; K130-E161 HydrophobicContact CG-CB 4.36Å; K130-E161 PolarHBondContact N-O 3.37Å; K130-E161 IonicContact NZ-OE2 2.84Å; K130-E161 PolarHBondContact NZ-OE2 2.98Å; K130-E161 PolarHBondContact O-N 2.8Å; A153-E161 HydrophobicContact CB-CB 3.88Å; G154-E161 WeakPolarHBondContact CA-OE2 3.38Å; G154-E161 PolarHBondContact N-OE1 2.86Å; G154-E161 PolarHBondContact N-OE2 2.82Å; D155-E161 VanDerWaalsContact CB-CD 3.46Å; D155-E161 HydrophobicContact CB-CG 4.32Å; D155-E161 WeakPolarHBondContact CB-OE1 3.44Å; D155-E161 PolarHBondContact N-OE1 3.01Å; D155-E161 PolarHBondContact N-OE2 3.46Å
162A93.2Very high88Confident48 Ų4865.3 Ų65.340%0.39735%0.35SS..EExtended strand (participates in β ladder)trans-124.9118.8-178.400000111.6V128 V129 S164V128-A162 CarbonylContact O-C 3.57Å; V128-A162 VanDerWaalsContact O-CA 3.31Å; V128-A162 WeakPolarHBondContact O-CA 3.49Å; V129-A162 HydrophobicContact CG2-CB 4.18Å; A162-S164 PolarHBondContact O-N 2.89Å; A162-S164 PolarHBondContact O-OG 2.87Å
163A96.4Very high88.1Confident0 Ų067.6 Ų67.60%035%0.354CS..EExtended strand (participates in β ladder)trans-78.3106.2166.900000108V128 I137 V139 A151 A153V128-A163 HydrophobicContact CB-CB 4.47Å; V128-A163 PolarHBondContact N-O 3.46Å; V128-A163 PolarHBondContact O-N 3.19Å; I137-A163 HydrophobicContact CD1-CB 4.25Å; V139-A163 HydrophobicContact CB-CB 4.31Å; V139-A163 HydrophobicContact CG2-CB 3.98Å; A151-A163 HydrophobicContact CB-CB 3.89Å; A153-A163 HydrophobicContact CB-CB 3.96Å
164S97.7Very high88.4Confident54 Ų5472 Ų7238%0.37837%0.374SS..EExtended strand (participates in β ladder)trans-124.4129.1-170.4-55.80000111.7F126 H127 A162F126-S164 WeakPolarHBondContact O-CA 3.41Å; H127-S164 WeakPolarHBondContact ND1-CB 3.43Å; H127-S164 PolarHBondContact ND1-OG 3.38Å; A162-S164 PolarHBondContact O-N 2.89Å; A162-S164 PolarHBondContact O-OG 2.87Å
165N98.3Very high89.1Confident65 Ų6571.2 Ų71.235%0.34836%0.361SS..EExtended strand (participates in β ladder)trans-159.2170.8173.1-156.2-13.7000110.9F126 I149 S150 A151F126-N165 WeakPolarHBondContact CD1-O 3.1Å; F126-N165 HydrophobicContact CE1-CB 3.87Å; F126-N165 HydrophobicContact CE2-CB 4.44Å; F126-N165 HydrophobicContact CZ-CB 3.71Å; F126-N165 PolarHBondContact N-O 2.9Å; F126-N165 PolarHBondContact O-N 2.88Å; F126-N165 VanDerWaalsContact O-N 3.17Å; I149-N165 HydrophobicContact CD1-CB 3.95Å; S150-N165 PolarHBondContact O-ND2 3.47Å; A151-N165 HydrophobicContact CB-CB 4.01Å
166G97.3Very high90.4Very high22 Ų2273.4 Ų73.423%0.22736%0.364CS..EExtended strand (participates in β ladder)trans-167.4153.617700000113.2F124F124-G166 CarbonylContact O-C 3.6Å; F124-G166 WeakPolarHBondContact O-CA 3.35Å
167V97.8Very high92.1Very high37 Ų3765 Ų6522%0.22433%0.325CS..EExtended strand (participates in β ladder)trans-150.5157.2-169.865.90000112F124 L141 I149F124-V167 PolarHBondContact N-O 2.92Å; F124-V167 PolarHBondContact O-N 3.43Å; L141-V167 HydrophobicContact CD2-CG1 3.51Å; I149-V167 HydrophobicContact CD1-CB 3.86Å; I149-V167 HydrophobicContact CD1-CG1 3.74Å; I149-V167 HydrophobicContact CG1-CB 4.43Å; I149-V167 HydrophobicContact CG1-CG1 4.09Å; I149-V167 HydrophobicContact CG2-CB 4.2Å; I149-V167 HydrophobicContact CG2-CG2 4.28Å
168L97.4Very high93.7Very high111 Ų11160.8 Ų60.858%0.58130%0.301SS*.EExtended strand (participates in β ladder)trans-99.3129.2163.3-70.1172.4000109.1I121 Y122 V200I121-L168 HydrophobicContact CG2-CB 4.4Å; I121-L168 HydrophobicContact CG2-CD2 4.3Å; Y122-L168 CarbonylContact O-C 3.56Å; Y122-L168 VanDerWaalsContact O-CA 3.27Å; Y122-L168 WeakPolarHBondContact O-CA 3.26Å; L168-V200 HydrophobicContact CD2-CG2 3.81Å
169L96.8Very high95.3Very high21 Ų2157.6 Ų57.611%0.1128%0.282CS..EExtended strand (participates in β ladder)trans-131.9133.4-173.8-168.667.5000110Y122 F124 Q143 I148 L171 V177Y122-L169 PolarHBondContact N-O 2.54Å; Y122-L169 PolarHBondContact O-N 3.15Å; F124-L169 HydrophobicContact CD2-CB 4.47Å; F124-L169 HydrophobicContact CE2-CB 4.41Å; Q143-L169 HydrophobicContact CB-CD2 4.21Å; Q143-L169 HydrophobicContact CG-CD2 4.31Å; I148-L169 HydrophobicContact CG2-CD1 4.03Å; L169-L171 HydrophobicContact CD2-CD2 3.4Å; L169-L171 HydrophobicContact CD2-CG 4.2Å; L169-L171 HydrophobicContact CG-CD2 3.84Å; L169-L171 HydrophobicContact CG-CG 4.36Å; L169-V177 HydrophobicContact CD2-CG2 4.42Å
170Q98.2Very high96.6Very high90 Ų9057.7 Ų57.742%0.42128%0.278SS..EExtended strand (participates in β ladder)trans-77.7125.7164.7-175-179.3-4000108.4G120 I121 E172 L203G120-Q170 WeakPolarHBondContact O-CA 3.4Å; I121-Q170 HydrophobicContact CD1-CB 3.63Å; I121-Q170 HydrophobicContact CD1-CG 4.02Å; Q170-E172 PolarHBondContact NE2-OE1 2.87Å; Q170-L203 HydrophobicContact CG-CD1 3.99Å
171L98.4Very high97.2Very high0 Ų050.4 Ų50.40%025%0.251CS..EExtended strand (participates in β ladder)trans-117.7147.2175.1-63.6-179.7000110.2F114 A116 R119 G120 Y122 F124 Q143 L169 D175 V177F114-L171 HydrophobicContact CD1-CD1 4.43Å; F114-L171 HydrophobicContact CE1-CD1 4.06Å; A116-L171 HydrophobicContact CB-CB 3.82Å; A116-L171 HydrophobicContact CB-CD1 3.9Å; R119-L171 VanDerWaalsContact CA-O 3.26Å; R119-L171 WeakPolarHBondContact CA-O 3.34Å; G120-L171 PolarHBondContact N-O 3.32Å; G120-L171 VanDerWaalsContact N-O 3.12Å; G120-L171 PolarHBondContact O-N 3.17Å; Y122-L171 HydrophobicContact CD2-CB 3.72Å; Y122-L171 HydrophobicContact CD2-CD1 3.72Å; Y122-L171 HydrophobicContact CD2-CG 3.83Å; Y122-L171 HydrophobicContact CE2-CB 3.77Å; Y122-L171 HydrophobicContact CE2-CD1 4.2Å; Y122-L171 HydrophobicContact CE2-CG 4.34Å; Y122-L171 HydrophobicContact CG-CD1 3.91Å; Y122-L171 HydrophobicContact CG-CG 4.42Å; F124-L171 HydrophobicContact CE2-CD1 3.84Å; F124-L171 HydrophobicContact CZ-CD1 3.72Å; Q143-L171 HydrophobicContact CG-CD2 4.01Å; L169-L171 HydrophobicContact CD2-CD2 3.4Å; L169-L171 HydrophobicContact CD2-CG 4.2Å; L169-L171 HydrophobicContact CG-CD2 3.84Å; L169-L171 HydrophobicContact CG-CG 4.36Å; L171-D175 HydrophobicContact CB-CB 4.2Å; L171-D175 HydrophobicContact CD2-CB 3.93Å; L171-V177 HydrophobicContact CD1-CG2 3.71Å; L171-V177 HydrophobicContact CD2-CG2 3.91Å; L171-V177 HydrophobicContact CG-CG2 4.48Å
172E98.4Very high97.5Very high80 Ų8053 Ų5337%0.37426%0.263SS..  trans-92.9166.1165.6-65-59.4149.800110.5A116 R119 Q170 E174 D175A116-E172 VanDerWaalsContact CB-O 3.24Å; A116-E172 WeakPolarHBondContact CB-O 3.33Å; R119-E172 WeakPolarHBondContact CD-OE1 3.34Å; R119-E172 WeakPolarHBondContact CD-OE2 3.33Å; R119-E172 WeakPolarHBondContact CG-OE1 3.33Å; R119-E172 VanDerWaalsContact CG-OE2 3.22Å; R119-E172 WeakPolarHBondContact CG-OE2 3.27Å; R119-E172 IonicContact CZ-OE1 3.74Å; R119-E172 IonicContact NE-OE1 3.94Å; R119-E172 PolarHBondContact NE-OE1 2.75Å; R119-E172 IonicContact NE-OE2 2.9Å; Q170-E172 PolarHBondContact NE2-OE1 2.87Å; E172-E174 PolarHBondContact O-N 3.33Å; E172-D175 PolarHBondContact N-OD2 2.97Å; E172-D175 WeakPolarHBondContact O-CB 3.47Å; E172-D175 PolarHBondContact O-N 2.86Å
173R97.4Very high97.4Very high174 Ų17458.7 Ų58.766%0.65727%0.274SS*.THydrogen-bonded Turntrans-60.9138.8175.7-174179.6671582109.9A116 P117 D175A116-R173 WeakPolarHBondContact O-CA 3.32Å; P117-R173 WeakPolarHBondContact O-CG 3.23Å; R173-D175 VanDerWaalsContact C-N 3.25Å; R173-D175 PolarHBondContact O-N 2.82Å
174E97.8Very high97.2Very high98 Ų9860.1 Ų60.146%0.45829%0.289SS..THydrogen-bonded Turntrans74.9-4-176.3-51.2-56.4123.500115.8Q115 A116 E172 R176Q115-E174 PolarHBondContact NE2-OE2 3.01Å; Q115-E174 PolarHBondContact OE1-OE2 3.3Å; A116-E174 PolarHBondContact O-N 2.86Å; E172-E174 PolarHBondContact O-N 3.33Å; E174-R176 PolarHBondContact O-N 2.91Å
175D98.6Very high96.8Very high23 Ų2359 Ų5912%0.12328%0.281CS..  trans-57.8136.6174-83-8.5000110.8Q115 A116 Q143 N144 L171 E172 R173Q115-D175 CarbonylContact C-O 3.53Å; Q115-D175 WeakPolarHBondContact CA-O 3.44Å; A116-D175 HydrophobicContact CB-CB 4.29Å; A116-D175 PolarHBondContact N-O 3.04Å; Q143-D175 PolarHBondContact NE2-OD2 2.96Å; N144-D175 PolarHBondContact ND2-OD1 2.98Å; L171-D175 HydrophobicContact CB-CB 4.2Å; L171-D175 HydrophobicContact CD2-CB 3.93Å; E172-D175 PolarHBondContact N-OD2 2.97Å; E172-D175 WeakPolarHBondContact O-CB 3.47Å; E172-D175 PolarHBondContact O-N 2.86Å; R173-D175 VanDerWaalsContact C-N 3.25Å; R173-D175 PolarHBondContact O-N 2.82Å
176R98.6Very high96.3Very high108 Ų10856.2 Ų56.241%0.40827%0.265SS..EExtended strand (participates in β ladder)trans-106.2126.5-176.3-62.6174.969.4-152.2-0.3110.2V113 F114 Q143 N144 E174V113-R176 HydrophobicContact CG1-CB 3.91Å; V113-R176 HydrophobicContact CG1-CG 4.26Å; F114-R176 CarbonylContact O-C 3.54Å; F114-R176 WeakPolarHBondContact O-CA 3.39Å; Q143-R176 WeakPolarHBondContact CA-O 3.11Å; N144-R176 PolarHBondContact N-O 3Å; N144-R176 PolarHBondContact OD1-N 2.94Å; E174-R176 PolarHBondContact O-N 2.91Å
177V98.8Very high95.9Very high0 Ų060.2 Ų60.20%028%0.28CS..EExtended strand (participates in β ladder)trans-120.9127.8177-175.90000110.6F114 F124 L141 M142 L169 L171 F195F114-V177 HydrophobicContact CB-CB 4.42Å; F114-V177 HydrophobicContact CD1-CB 4.37Å; F114-V177 PolarHBondContact N-O 3.08Å; F114-V177 PolarHBondContact O-N 3.16Å; F124-V177 HydrophobicContact CD1-CG1 4.05Å; F124-V177 HydrophobicContact CD2-CG1 4.41Å; F124-V177 HydrophobicContact CE1-CB 4.07Å; F124-V177 HydrophobicContact CE1-CG1 3.84Å; F124-V177 HydrophobicContact CE1-CG2 4.45Å; F124-V177 HydrophobicContact CE2-CG1 4.24Å; F124-V177 HydrophobicContact CE2-CG2 4.17Å; F124-V177 HydrophobicContact CG-CG1 4.33Å; F124-V177 HydrophobicContact CZ-CB 3.99Å; F124-V177 HydrophobicContact CZ-CG1 3.96Å; F124-V177 HydrophobicContact CZ-CG2 3.86Å; L141-V177 HydrophobicContact CD1-CG1 3.55Å; L141-V177 HydrophobicContact CD2-CG1 4.39Å; L141-V177 HydrophobicContact CG-CG1 3.98Å; M142-V177 VanDerWaalsContact O-CA 3.26Å; M142-V177 WeakPolarHBondContact O-CA 3.24Å; L169-V177 HydrophobicContact CD2-CG2 4.42Å; L171-V177 HydrophobicContact CD1-CG2 3.71Å; L171-V177 HydrophobicContact CD2-CG2 3.91Å; L171-V177 HydrophobicContact CG-CG2 4.48Å; V177-F195 HydrophobicContact CG1-CZ 4.25Å
178Y98.7Very high95.3Very high19 Ų1959.7 Ų59.78%0.07528%0.281CS..EExtended strand (participates in β ladder)trans-155.4171.3-178.164.5-86000111.4T93 V113 M142 D145 K180T93-Y178 HydrophobicContact CG2-CD2 4.15Å; V113-Y178 HydrophobicContact CG2-CD1 4.43Å; V113-Y178 HydrophobicContact CG2-CG 4.27Å; M142-Y178 HydrophobicContact CB-CD1 4.01Å; M142-Y178 HydrophobicContact CB-CD2 4.14Å; M142-Y178 HydrophobicContact CB-CE1 3.71Å; M142-Y178 HydrophobicContact CB-CE2 3.84Å; M142-Y178 HydrophobicContact CB-CG 4.22Å; M142-Y178 HydrophobicContact CG-CD2 4.06Å; M142-Y178 HydrophobicContact CG-CE1 4.41Å; M142-Y178 HydrophobicContact CG-CE2 3.62Å; M142-Y178 PolarHBondContact N-O 3.25Å; M142-Y178 PolarHBondContact O-N 3.42Å; D145-Y178 PolarHBondContact OD1-OH 2.93Å; Y178-K180 HydrophobicContact CE2-CB 4.16Å
179L98.6Very high95Very high1 Ų154.4 Ų54.41%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-103.9134177-60.4-178.9000110.8I94 F96 F126 V128 V139 N140 L141 F195I94-L179 HydrophobicContact CB-CB 4.09Å; I94-L179 HydrophobicContact CD1-CB 4.24Å; I94-L179 HydrophobicContact CG1-CB 4.42Å; I94-L179 PolarHBondContact N-O 3.15Å; F96-L179 HydrophobicContact CE2-CD1 4.04Å; F96-L179 HydrophobicContact CZ-CD1 3.85Å; F126-L179 HydrophobicContact CB-CD1 3.62Å; F126-L179 HydrophobicContact CB-CD2 4.05Å; F126-L179 HydrophobicContact CB-CG 4.46Å; F126-L179 HydrophobicContact CD1-CD2 3.67Å; F126-L179 HydrophobicContact CD2-CD1 4.24Å; F126-L179 HydrophobicContact CD2-CD2 4.25Å; F126-L179 HydrophobicContact CE1-CD2 4.12Å; F126-L179 HydrophobicContact CG-CD1 3.97Å; F126-L179 HydrophobicContact CG-CD2 3.73Å; V128-L179 HydrophobicContact CG2-CD1 4.11Å; V139-L179 HydrophobicContact CG1-CB 4.35Å; V139-L179 HydrophobicContact CG1-CD2 4.41Å; N140-L179 WeakPolarHBondContact O-CA 3.34Å; L141-L179 HydrophobicContact CB-CD2 4.22Å; L141-L179 HydrophobicContact CD1-CD2 3.6Å; L179-F195 HydrophobicContact CD1-CB 3.98Å; L179-F195 HydrophobicContact CD1-CD1 4.32Å; L179-F195 HydrophobicContact CD1-CD2 4.11Å; L179-F195 HydrophobicContact CD1-CG 3.9Å; L179-F195 HydrophobicContact CD2-CD2 4.41Å; L179-F195 HydrophobicContact CD2-CE2 4.3Å; L179-F195 HydrophobicContact CG-CD1 4.21Å; L179-F195 HydrophobicContact CG-CD2 4.22Å; L179-F195 HydrophobicContact CG-CE1 4.35Å; L179-F195 HydrophobicContact CG-CE2 4.37Å; L179-F195 HydrophobicContact CG-CG 4.16Å; L179-F195 HydrophobicContact CG-CZ 4.43Å
180K97.6Very high94.8Very high55 Ų5553.6 Ų53.624%0.23925%0.249CC..EExtended strand (participates in β ladder)trans-123134.5176.8-170.7-174174.5-147.60110.6M92 V139 N140 M142 Y178 E182M92-K180 HydrophobicContact CB-CG 4.13Å; M92-K180 CarbonylContact O-C 3.52Å; M92-K180 WeakPolarHBondContact O-CA 3.33Å; V139-K180 WeakPolarHBondContact CA-O 2.95Å; N140-K180 PolarHBondContact N-O 3.29Å; N140-K180 PolarHBondContact O-N 3.5Å; M142-K180 HydrophobicContact CE-CD 4.18Å; M142-K180 HydrophobicContact CG-CB 3.62Å; M142-K180 HydrophobicContact SD-CB 3.97Å; M142-K180 HydrophobicContact SD-CD 4.25Å; Y178-K180 HydrophobicContact CE2-CB 4.16Å; K180-E182 WeakPolarHBondContact CE-OE2 3.26Å; K180-E182 IonicContact NZ-OE2 3.66Å; K180-E182 PolarHBondContact NZ-OE2 2.9Å; K180-E182 PolarHBondContact O-N 2.86Å
181L96.3Very high94.6Very high12 Ų1252.1 Ų52.16%0.06324%0.241CC..EExtended strand (participates in β ladder)trans-8296.7169.6-174.671.6000109M92 I94 I137 V139 R183 L186M92-L181 WeakPolarHBondContact CB-O 3Å; M92-L181 PolarHBondContact O-N 3.44Å; I94-L181 HydrophobicContact CD1-CB 4.29Å; I94-L181 HydrophobicContact CG1-CB 4.15Å; I137-L181 HydrophobicContact CB-CD1 3.93Å; I137-L181 HydrophobicContact CG2-CD1 4.17Å; V139-L181 HydrophobicContact CG2-CD1 4.28Å; L181-R183 WeakPolarHBondContact CD1-O 3.12Å; L181-L186 HydrophobicContact CD1-CG 4.32Å; L181-L186 HydrophobicContact CD2-CD1 4.35Å; L181-L186 HydrophobicContact CD2-CG 3.92Å
182E95.2Very high94.5Very high95 Ų9558.6 Ų58.644%0.44427%0.267SS..EExtended strand (participates in β ladder)trans-77-32.4-176.9-170.263.7-164.200112Q138 N140 K180Q138-E182 HydrophobicContact CB-CB 4.46Å; Q138-E182 HydrophobicContact CG-CB 4.24Å; Q138-E182 PolarHBondContact O-N 2.85Å; N140-E182 WeakPolarHBondContact ND2-CB 3.14Å; K180-E182 WeakPolarHBondContact CE-OE2 3.26Å; K180-E182 IonicContact NZ-OE2 3.66Å; K180-E182 PolarHBondContact NZ-OE2 2.9Å; K180-E182 PolarHBondContact O-N 2.86Å
183R92.1Very high94.4Very high167 Ų16754.8 Ų54.863%0.6325%0.249SC*.EExtended strand (participates in β ladder)trans-142146.2-180-170.9177.8173.4-178-1.6111I137 Q138 L181I137-R183 VanDerWaalsContact CA-O 3.31Å; I137-R183 WeakPolarHBondContact CA-O 3.5Å; Q138-R183 HydrophobicContact CB-CB 3.81Å; Q138-R183 PolarHBondContact N-O 3.18Å; L181-R183 WeakPolarHBondContact CD1-O 3.12Å
184G90.8Very high94.5Very high30 Ų3048.4 Ų48.431%0.30923%0.229SC..SBendtrans91.2-157.8175.500000112
185T89Confident94.5Very high32 Ų3243.7 Ų43.720%0.19621%0.207CC..  trans-143.3158.7178.6-172.40000110.8N133 I137 M187N133-T185 VanDerWaalsContact ND2-CG2 3.26Å; N133-T185 WeakPolarHBondContact ND2-CG2 3.1Å; N133-T185 PolarHBondContact ND2-O 2.89Å; I137-T185 WeakPolarHBondContact CG2-O 3.46Å; T185-M187 HydrophobicContact CG2-CB 3.98Å; T185-M187 HydrophobicContact CG2-CG 3.82Å; T185-M187 WeakPolarHBondContact OG1-CG 3.31Å; T185-M187 PolarHBondContact OG1-N 2.96Å
186L89.3Confident94.5Very high6 Ų644.7 Ų44.73%0.03122%0.216CC..  trans-107.928.7170.9-63172.6000111.3P84 I94 V128 K130 I137 L181 G188 G189 W190P84-L186 HydrophobicContact CG-CB 4.32Å; I94-L186 HydrophobicContact CD1-CD1 4.31Å; I94-L186 HydrophobicContact CG1-CD1 4.13Å; I94-L186 HydrophobicContact CG2-CD1 4.29Å; V128-L186 HydrophobicContact CG1-CD2 4.12Å; K130-L186 HydrophobicContact CB-CD2 4.42Å; I137-L186 HydrophobicContact CD1-CD2 4.09Å; L181-L186 HydrophobicContact CD1-CG 4.32Å; L181-L186 HydrophobicContact CD2-CD1 4.35Å; L181-L186 HydrophobicContact CD2-CG 3.92Å; L186-G188 PolarHBondContact O-N 3.39Å; L186-G189 PolarHBondContact O-N 2.86Å; L186-W190 HydrophobicContact CB-CD2 4.28Å; L186-W190 HydrophobicContact CB-CE3 3.61Å; L186-W190 HydrophobicContact CB-CZ3 4.18Å; L186-W190 HydrophobicContact CD1-CB 4.29Å; L186-W190 HydrophobicContact CD1-CD2 3.91Å; L186-W190 HydrophobicContact CD1-CE3 4.03Å; L186-W190 HydrophobicContact CD1-CG 4.04Å; L186-W190 HydrophobicContact CD2-CB 4.23Å; L186-W190 HydrophobicContact CG-CE3 4.42Å
187M87.1Confident94.5Very high106 Ų10639.7 Ų39.752%0.52220%0.198SC..THydrogen-bonded Turntrans-52.9136.3168.7-68.4-63.3-76.500110.2E83 T185 G189E83-M187 WeakPolarHBondContact OE2-CA 3.38Å; T185-M187 HydrophobicContact CG2-CB 3.98Å; T185-M187 HydrophobicContact CG2-CG 3.82Å; T185-M187 WeakPolarHBondContact OG1-CG 3.31Å; T185-M187 PolarHBondContact OG1-N 2.96Å; M187-G189 VanDerWaalsContact C-N 3.33Å
188G86.5Confident94.4Very high25 Ų2543 Ų4326%0.25821%0.212SC..THydrogen-bonded Turntrans90.3-3.9-171.800000114E83 L186E83-G188 VanDerWaalsContact CD-N 3.27Å; E83-G188 WeakPolarHBondContact OE1-CA 3.49Å; E83-G188 PolarHBondContact OE1-N 3.19Å; E83-G188 PolarHBondContact OE2-N 2.92Å; L186-G188 PolarHBondContact O-N 3.39Å
189G89.8Confident94.3Very high0 Ų042.8 Ų42.80%021%0.213CC..  trans83.3166.5179.500000114.1L186 M187L186-G189 PolarHBondContact O-N 2.86Å; M187-G189 VanDerWaalsContact C-N 3.33Å
190W93.9Very high94Very high4 Ų444 Ų442%0.01522%0.22CC..  trans-130.137.7-176.661.8101.1000112.6R78 H82 P84 Y95 V129 L186 S193R78-W190 WeakPolarHBondContact CB-O 3.46Å; R78-W190 VanDerWaalsContact CD-NE1 3.34Å; R78-W190 HydrophobicContact CG-CD2 4.33Å; R78-W190 HydrophobicContact CG-CG 4Å; R78-W190 WeakPolarHBondContact CG-O 3.38Å; R78-W190 VanDerWaalsContact CZ-CZ2 3.46Å; H82-W190 WeakPolarHBondContact O-CZ3 3.47Å; P84-W190 HydrophobicContact CB-CH2 4.29Å; P84-W190 HydrophobicContact CB-CZ3 4.2Å; P84-W190 HydrophobicContact CG-CH2 4.24Å; P84-W190 HydrophobicContact CG-CZ3 3.66Å; Y95-W190 PolarHBondContact O-NE1 3.22Å; V129-W190 CarbonylContact O-C 3.58Å; V129-W190 WeakPolarHBondContact O-CA 3.36Å; V129-W190 VanDerWaalsContact O-CB 3.26Å; V129-W190 WeakPolarHBondContact O-CB 3.35Å; L186-W190 HydrophobicContact CB-CD2 4.28Å; L186-W190 HydrophobicContact CB-CE3 3.61Å; L186-W190 HydrophobicContact CB-CZ3 4.18Å; L186-W190 HydrophobicContact CD1-CB 4.29Å; L186-W190 HydrophobicContact CD1-CD2 3.91Å; L186-W190 HydrophobicContact CD1-CE3 4.03Å; L186-W190 HydrophobicContact CD1-CG 4.04Å; L186-W190 HydrophobicContact CD2-CB 4.23Å; L186-W190 HydrophobicContact CG-CE3 4.42Å; W190-S193 WeakPolarHBondContact O-CB 3.4Å; W190-S193 PolarHBondContact O-N 2.84Å; W190-S193 PolarHBondContact O-OG 2.76Å
191K94.4Very high93.6Very high60 Ų6046.2 Ų46.226%0.26123%0.23SC..THydrogen-bonded Turntrans-54.7148177.8-173.5173.3177.6169.40111G79 T80 N81 S193G79-K191 WeakPolarHBondContact O-CD 3.48Å; G79-K191 WeakPolarHBondContact O-CE 3.32Å; T80-K191 WeakPolarHBondContact O-CB 3.17Å; N81-K191 WeakPolarHBondContact OD1-CB 3.36Å; K191-S193 PolarHBondContact O-N 3.06Å
192Y95.3Very high93.4Very high135 Ų13548.4 Ų48.453%0.52925%0.245SC..THydrogen-bonded Turntrans73.7-0.3-174.7-45.3-67.4000114.9R78R78-Y192 PolarHBondContact O-N 2.94Å
193S97.4Very high93Very high0 Ų049.1 Ų49.10%025%0.251CS..  trans-62.7143.9169-60.20000111V77 R78 H127 V128 V129 W190 K191V77-S193 CarbonylContact C-O 3.44Å; V77-S193 VanDerWaalsContact CA-O 3.3Å; V77-S193 WeakPolarHBondContact CA-O 3.41Å; R78-S193 PolarHBondContact N-O 3.18Å; H127-S193 CarbonylContact O-C 3.5Å; H127-S193 WeakPolarHBondContact O-CA 3.43Å; H127-S193 WeakPolarHBondContact O-CB 3.39Å; V128-S193 WeakPolarHBondContact CA-OG 3.47Å; V129-S193 PolarHBondContact N-OG 2.82Å; V129-S193 PolarHBondContact O-OG 3.13Å; W190-S193 WeakPolarHBondContact O-CB 3.4Å; W190-S193 PolarHBondContact O-N 2.84Å; W190-S193 PolarHBondContact O-OG 2.76Å; K191-S193 PolarHBondContact O-N 3.06Å
194T98.6Very high93.1Very high40 Ų4043.3 Ų43.325%0.24523%0.232CC..EExtended strand (participates in β ladder)trans-131.1142.2-179.766.40000110.8A76 V77 F126 H127A76-T194 WeakPolarHBondContact O-CA 3.42Å; V77-T194 HydrophobicContact CG1-CG2 4.01Å; F126-T194 VanDerWaalsContact CA-O 3.32Å; F126-T194 WeakPolarHBondContact CA-O 2.82Å; H127-T194 PolarHBondContact CD2-OG1 3Å; H127-T194 PolarHBondContact N-O 3.42Å; H127-T194 PolarHBondContact O-N 3.05Å
195F98.8Very high93.2Very high0 Ų043.9 Ų43.90%023%0.228CC..EExtended strand (participates in β ladder)trans-137.1127.6168.1178.6-145.8000109.4F74 A76 F96 F107 F124 F126 L141 V177 L179F74-F195 AromaticContact CE2-CD1 3.73Å; F74-F195 HydrophobicContact CE2-CD1 3.73Å; F74-F195 HydrophobicContact CE2-CD2 4.3Å; F74-F195 AromaticContact CE2-CE1 3.8Å; F74-F195 HydrophobicContact CE2-CE1 3.8Å; F74-F195 HydrophobicContact CE2-CE2 4.36Å; F74-F195 AromaticContact CE2-CG 3.99Å; F74-F195 HydrophobicContact CE2-CG 3.99Å; F74-F195 HydrophobicContact CE2-CZ 4.12Å; F74-F195 HydrophobicContact CZ-CD1 4.16Å; F74-F195 HydrophobicContact CZ-CD2 4.28Å; F74-F195 AromaticContact CZ-CE1 3.8Å; F74-F195 HydrophobicContact CZ-CE1 3.8Å; F74-F195 AromaticContact CZ-CE2 3.94Å; F74-F195 HydrophobicContact CZ-CE2 3.94Å; F74-F195 HydrophobicContact CZ-CG 4.39Å; F74-F195 AromaticContact CZ-CZ 3.68Å; F74-F195 HydrophobicContact CZ-CZ 3.68Å; A76-F195 PolarHBondContact N-O 3.46Å; A76-F195 PolarHBondContact O-N 3.46Å; F96-F195 HydrophobicContact CD2-CB 4.21Å; F96-F195 HydrophobicContact CE1-CB 3.9Å; F96-F195 HydrophobicContact CE2-CB 3.53Å; F96-F195 HydrophobicContact CE2-CD1 4.05Å; F96-F195 HydrophobicContact CE2-CG 4.21Å; F96-F195 HydrophobicContact CZ-CB 3.36Å; F96-F195 HydrophobicContact CZ-CG 4.4Å; F107-F195 AromaticContact CE2-CD1 3.92Å; F107-F195 HydrophobicContact CE2-CD1 3.92Å; F107-F195 AromaticContact CE2-CE1 3.97Å; F107-F195 HydrophobicContact CE2-CE1 3.97Å; F107-F195 HydrophobicContact CZ-CD1 4.35Å; F124-F195 HydrophobicContact CB-CE2 4.48Å; F124-F195 HydrophobicContact CD1-CE2 4.02Å; F124-F195 HydrophobicContact CD1-CZ 4.17Å; F126-F195 HydrophobicContact CB-CD2 3.98Å; L141-F195 HydrophobicContact CD1-CE2 3.77Å; L141-F195 HydrophobicContact CD1-CZ 3.91Å; V177-F195 HydrophobicContact CG1-CZ 4.25Å; L179-F195 HydrophobicContact CD1-CB 3.98Å; L179-F195 HydrophobicContact CD1-CD1 4.32Å; L179-F195 HydrophobicContact CD1-CD2 4.11Å; L179-F195 HydrophobicContact CD1-CG 3.9Å; L179-F195 HydrophobicContact CD2-CD2 4.41Å; L179-F195 HydrophobicContact CD2-CE2 4.3Å; L179-F195 HydrophobicContact CG-CD1 4.21Å; L179-F195 HydrophobicContact CG-CD2 4.22Å; L179-F195 HydrophobicContact CG-CE1 4.35Å; L179-F195 HydrophobicContact CG-CE2 4.37Å; L179-F195 HydrophobicContact CG-CG 4.16Å; L179-F195 HydrophobicContact CG-CZ 4.43Å
196S98.6Very high93.4Very high44 Ų4444.6 Ų44.631%0.30823%0.23SC..EExtended strand (participates in β ladder)trans-145156.6-176.261.10000111.4F74 F124 G125F74-S196 WeakPolarHBondContact O-CA 3.36Å; F74-S196 WeakPolarHBondContact O-CB 3.26Å; F124-S196 WeakPolarHBondContact CA-O 3.31Å; G125-S196 PolarHBondContact N-O 3.1Å; G125-S196 PolarHBondContact O-N 3.22Å; G125-S196 PolarHBondContact O-OG 3.09Å
197G97.9Very high93.7Very high3 Ų346.9 Ų46.93%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-172.5163.8173.200000112.9A73 F74 S123A73-G197 CarbonylContact C-O 3.45Å; A73-G197 WeakPolarHBondContact CA-O 3.29Å; F74-G197 VanDerWaalsContact CD1-O 3.32Å; F74-G197 WeakPolarHBondContact CD1-O 3.43Å; F74-G197 PolarHBondContact N-O 2.76Å; F74-G197 PolarHBondContact O-N 3.41Å; S123-G197 CarbonylContact O-C 3.57Å; S123-G197 WeakPolarHBondContact O-CA 3.34Å
198F97Very high94.1Very high68 Ų6843.2 Ų43.230%0.29822%0.224SC..EExtended strand (participates in β ladder)trans-157.6158-176.762-89000111.6L44 V72 A73 Y122 S123 V200L44-F198 HydrophobicContact CD2-CE2 3.25Å; L44-F198 HydrophobicContact CD2-CZ 3.45Å; L44-F198 VanDerWaalsContact CD2-CZ 3.45Å; V72-F198 CarbonylContact O-C 3.55Å; V72-F198 VanDerWaalsContact O-CA 3.22Å; V72-F198 WeakPolarHBondContact O-CA 3.49Å; V72-F198 VanDerWaalsContact O-CB 3.3Å; V72-F198 WeakPolarHBondContact O-CB 3.47Å; A73-F198 HydrophobicContact CB-CB 3.74Å; Y122-F198 CarbonylContact C-O 3.55Å; Y122-F198 WeakPolarHBondContact CA-O 3.07Å; S123-F198 PolarHBondContact N-O 3.09Å; S123-F198 PolarHBondContact O-N 2.77Å; F198-V200 HydrophobicContact CE2-CG2 4.03Å
199L95.4Very high94.6Very high16 Ų1644.4 Ų44.48%0.08422%0.222CC..EExtended strand (participates in β ladder)trans-75.4122.2173.3175.663.3000109.5V72 Y122 F201V72-L199 HydrophobicContact CB-CB 3.8Å; V72-L199 HydrophobicContact CG2-CB 4.36Å; V72-L199 HydrophobicContact CG2-CD2 4.21Å; V72-L199 PolarHBondContact O-N 3.36Å; Y122-L199 HydrophobicContact CD1-CB 4Å; Y122-L199 HydrophobicContact CD1-CD1 4.24Å; Y122-L199 HydrophobicContact CD2-CD1 4.26Å; Y122-L199 HydrophobicContact CE1-CB 3.72Å; Y122-L199 HydrophobicContact CE1-CD1 3.85Å; Y122-L199 HydrophobicContact CE1-CG 4.33Å; Y122-L199 HydrophobicContact CE2-CD1 3.88Å; Y122-L199 HydrophobicContact CG-CD1 4.44Å; L199-F201 WeakPolarHBondContact CD1-O 3.35Å
200V93.1Very high94.9Very high26 Ų2647.6 Ų47.616%0.15824%0.238CC..EExtended strand (participates in β ladder)trans-78.4-53.6174.3-170.80000109.4L44 I121 L168 F198L44-V200 HydrophobicContact CD1-CG1 4.43Å; L44-V200 HydrophobicContact CD2-CG1 4.1Å; L44-V200 HydrophobicContact CD2-CG2 4.44Å; I121-V200 HydrophobicContact CG2-CB 4.38Å; I121-V200 HydrophobicContact CG2-CG2 4.31Å; I121-V200 WeakPolarHBondContact O-CB 3.34Å; I121-V200 PolarHBondContact O-N 3.06Å; L168-V200 HydrophobicContact CD2-CG2 3.81Å; F198-V200 HydrophobicContact CE2-CG2 4.03Å
201F88.8Confident95Very high102 Ų10250.9 Ų50.945%0.44726%0.255SS..EExtended strand (participates in β ladder)trans-158.7145.7172.249.5-97.4000111.1G120 I121 L199 L203G120-F201 WeakPolarHBondContact CA-O 3.5Å; I121-F201 HydrophobicContact CB-CD2 4.32Å; I121-F201 HydrophobicContact CB-CE1 4.3Å; I121-F201 HydrophobicContact CB-CE2 3.87Å; I121-F201 HydrophobicContact CB-CZ 3.85Å; I121-F201 HydrophobicContact CG1-CD2 4.14Å; I121-F201 HydrophobicContact CG1-CE1 4.43Å; I121-F201 HydrophobicContact CG1-CE2 3.34Å; I121-F201 HydrophobicContact CG1-CZ 3.51Å; I121-F201 HydrophobicContact CG2-CZ 4.36Å; I121-F201 PolarHBondContact N-O 3.07Å; L199-F201 WeakPolarHBondContact CD1-O 3.35Å; F201-L203 HydrophobicContact CD2-CD2 4.2Å; F201-L203 HydrophobicContact CE2-CD2 3.98Å
202P91.8Very high95.1Very high58 Ų5850.2 Ų50.238%0.37725%0.254SS..EExtended strand (participates in β ladder)trans-72.3156.417331.8-35000111.8
203L88.3Confident95.1Very high110 Ų11042.5 Ų42.558%0.57623%0.229SC*.  trans-117.80174-68.4175000111.9R119 I121 Q170 F201R119-L203 HydrophobicContact CG-CB 4.13Å; R119-L203 PolarHBondContact O-N 3.02Å; R119-L203 VanDerWaalsContact O-N 3.15Å; I121-L203 HydrophobicContact CD1-CD1 4.06Å; I121-L203 HydrophobicContact CG1-CD1 4.27Å; Q170-L203 HydrophobicContact CG-CD1 3.99Å; F201-L203 HydrophobicContact CD2-CD2 4.2Å; F201-L203 HydrophobicContact CE2-CD2 3.98Å

Retrieved 203 of 203 residues in 49.7 ms (Link to these results)