A0A096NR70_PAPAN Loading...

SH2B adapter protein 2

AlphaFold DB , UniProt , Accession A0A096NR70, Species PAPAN (Papio anubis, Olive baboon), Gene SH2B2, Length 678 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
1M30.7Very low37Very low243 Ų243146.5 Ų146.5100%1.19782%0.823SS**  0118.80-82.4179.8163.200106.9
2D42.9Very low37.3Very low157 Ų157142.8 Ų142.884%0.8481%0.81SS**  trans-57.2159.4167.2-58-91.8000110.9
3P48.1Very low37.3Very low117 Ų117140.8 Ų140.876%0.7681%0.81SS**  -135.4-174.550.838.5-16.3000113.6
4S33.4Very low37.1Very low104 Ų104143.1 Ų143.173%0.72781%0.81SS**  cis-155.5138.626.9-61.20000115.6
5Y40.1Very low36.6Very low208 Ų208143.4 Ų143.482%0.81681%0.808SS**  47.9114129.1-135.8-94.4000122
6C31.9Very low36.3Very low122 Ų122140.9 Ų140.982%0.82481%0.812SS**  -165.8140.1116.1-112.40000111.2
7P46.7Very low35.9Very low101 Ų101142.4 Ų142.466%0.65682%0.815SS**  trans-94.3160.2-170.436.7-36.1000114.7
8A40Very low35.5Very low95 Ų95147.8 Ų147.879%0.78582%0.82SS**  trans-93.4149176.800000113.2
9H32.8Very low35.5Very low195 Ų195145.7 Ų145.790%0.90381%0.814SS**  trans-140.6142.6158.4-97.3-94.4000107.9
10G29.7Very low35.3Very low61 Ų61146.9 Ų146.963%0.62982%0.818SS**  trans-129.6165.9-179.800000112.7
11F31Very low35Very low209 Ų209145.2 Ų145.292%0.91782%0.816SS**  trans-152.9166.7170.4-92.6-53.9000109
12P40.3Very low35Very low102 Ų102138.7 Ų138.766%0.66279%0.794SS**  trans-123-179.4-13738.2-20.9000114.5
13S37.6Very low34.5Very low116 Ų116139.7 Ų139.781%0.81179%0.794SS**  trans-62.6143.2166.5-164.40000111.5
14Q33.9Very low33.5Very low174 Ų174142 Ų14281%0.81379%0.794SS**  trans-157.3137.3163.8-133.9170.8116.400110.7
15D30.4Very low33.2Very low147 Ų147149 Ų14979%0.78681%0.805SS**  trans-72.8148.3-178.2-56.9-95.4000113.1
16A31.2Very low32.6Very low104 Ų104143.1 Ų143.186%0.8679%0.794SS**  trans-117.78816700000109.4W18A16-W18 PolarHBondContact O-N 2.96Å
17L29.7Very low32.4Very low165 Ų165142.6 Ų142.686%0.86479%0.792SS**  trans-62.6125.6177.7-71.5155.2000110.9P19L17-P19 WeakPolarHBondContact O-CD 3.42Å
18W28.9Very low31.6Very low240 Ų240141.4 Ų141.491%0.90979%0.791SS**  trans-89.9113.5169.5-163.4-81.6000110.1A16 L20A16-W18 PolarHBondContact O-N 2.96Å; W18-L20 PolarHBondContact O-N 3.12Å
19P35.3Very low31Very low109 Ų109145.6 Ų145.671%0.70879%0.794SS**  trans-78.4119.5-177.530.3-33.2000111.5L17 S21L17-P19 WeakPolarHBondContact O-CD 3.42Å; P19-S21 PolarHBondContact O-N 3.44Å
20L31.7Very low30.7Very low169 Ų169146.2 Ų146.289%0.88579%0.79SS**  trans-70.9117.1160.1-94.6161000109.3W18W18-L20 PolarHBondContact O-N 3.12Å
21S28.8Very low30.6Very low111 Ų111149.2 Ų149.278%0.77680%0.801SS**  trans-148.3102.7161.7-170.20000110.9P19P19-S21 PolarHBondContact O-N 3.44Å
22S30.4Very low30.5Very low106 Ų106147.1 Ų147.174%0.74179%0.794SS**  trans-87.9107168.5-66.40000109.6
23Q31.8Very low30.3Very low179 Ų179148.2 Ų148.284%0.83680%0.801SS**  trans-164.5155152.1-117.1154.3110.300114.6
24Q27.7Very low29.9Very low164 Ų164147 Ų14777%0.76680%0.799SS**  trans70.363.8152.5-148.4155.835.700118.1S26Q24-S26 PolarHBondContact O-N 2.83Å
25W26.3Very low29.8Very low251 Ų251143.8 Ų143.895%0.95180%0.801SS**  trans-67.7111.6147.6-172.3-79.8000108.5
26S29Very low29.9Very low85 Ų85140.6 Ų140.659%0.59480%0.804SS**  trans-127138.9171.9-70.10000109.3Q24Q24-S26 PolarHBondContact O-N 2.83Å
27S28.1Very low29.8Very low111 Ų111139.3 Ų139.378%0.77680%0.8SS**  trans-54.7159.5171.8-48.70000110.6
28A28.4Very low29.9Very low77 Ų77137.7 Ų137.764%0.63680%0.801SS**  cis-172.5-172.244.200000113.9
29H27.4Very low30.3Very low182 Ų182134.7 Ų134.784%0.84380%0.803SS**  trans74.8111.1159.5-69.7-68000120.4
30Y27.5Very low30.1Very low209 Ų209132.4 Ų132.482%0.8280%0.799SS**  trans-46.3151.1147.7-97.9-114.8000113.1
31S27.3Very low30.2Very low124 Ų124130.8 Ų130.887%0.86780%0.797SS**  trans-151.2131.6143.5-780000109.9
32E29.6Very low30.3Very low164 Ų164134.7 Ų134.777%0.76680%0.803SS**PPolyproline II helixtrans-103.7136.8-175.9-178.7-171131.200110
33P34.3Very low30.4Very low125 Ų125134 Ų13481%0.81280%0.803SS**PPolyproline II helixtrans-85.4116.7171.432.2-30000110.9
34A29.7Very low30.6Very low92 Ų92133.1 Ų133.176%0.7680%0.801SS**PPolyproline II helixtrans-70.7157.9-173.400000114.9
35A32.9Very low31.1Very low105 Ų105132.9 Ų132.987%0.86881%0.805SS**PPolyproline II helixtrans-70.1137.7177.300000113.4
36G30.9Very low31.4Very low81 Ų81124.8 Ų124.884%0.83580%0.799SS**PPolyproline II helixtrans-84.9119.9169.400000111.7
37G29.6Very low31.7Very low76 Ų76125.7 Ų125.778%0.78481%0.812SS**PPolyproline II helixtrans-88158175.400000113.5
38C32.2Very low32.3Very low132 Ų132125 Ų12589%0.89281%0.813SS**  trans-140.1138.6171.2-76.50000109.9
39N36.3Very low33.1Very low176 Ų176127.3 Ų127.394%0.94182%0.822SS**  trans-136.7148.9178.4-98.7-28.5000109.5
40G31.1Very low33.5Very low62 Ų62121.7 Ų121.764%0.63981%0.813SS**  trans108.7103.3179.200000112.2
41T34.9Very low34.3Very low135 Ų135118 Ų11883%0.82882%0.815SS**  68.9107.175630000114.8
42E31.4Very low35.1Very low192 Ų192116.5 Ų116.590%0.89781%0.81SS**  172.5168113.3-92.6-159.411100114.6
43A32.2Very low36.2Very low91 Ų91115.5 Ų115.575%0.75282%0.815SS**  trans61.289.715100000122.6
44M36.9Very low36.9Very low162 Ų162113.9 Ų113.980%0.79881%0.812SS**  trans2.2153.6131.9-57168.269.400122.4
45N37.4Very low38.3Very low158 Ų158113.4 Ų113.485%0.84581%0.808SS**  trans90.4135155.4-52.8-48.5000118.9
46G32.3Very low39.2Very low81 Ų81114.1 Ų114.184%0.83580%0.804SS**  trans155.1107.8168.800000113.1
47A35.1Very low40.7Very low104 Ų104116.4 Ų116.486%0.8680%0.801SS**  trans-74152178.800000112.7
48A41.3Very low42Very low96 Ų96118 Ų11879%0.79380%0.798SS**  trans-65.1157.2170.600000111.8
49P44.5Very low43.4Very low126 Ų126117.9 Ų117.982%0.81879%0.793SS**  -142.9141.3106.436.7-24.2000115.2
50G35.9Very low44.8Very low64 Ų64115 Ų11566%0.6678%0.784SS**  trans69.1121.4147.600000118.9A52G50-A52 PolarHBondContact O-N 3.15Å
51P45.1Very low46.3Very low132 Ų132118.2 Ų118.286%0.85779%0.791SS**  trans-72.194.816730.8-32.8000110.2T53P51-T53 PolarHBondContact O-N 3.08Å
52A43.4Very low48Very low93 Ų93117 Ų11777%0.76979%0.785SS**  trans-58.3133.516300000108.9G50 A54G50-A52 PolarHBondContact O-N 3.15Å; A52-A54 PolarHBondContact O-N 3.34Å
53T52.5Low50.6Low143 Ų143110.8 Ų110.888%0.87776%0.758SS**  trans-70.589.6-170.7-44.40000111.1P51 A55P51-T53 PolarHBondContact O-N 3.08Å; T53-A55 PolarHBondContact O-N 3.03Å; T53-A55 VanDerWaalsContact O-N 3.12Å
54A50.3Low53.3Low91 Ų91114.2 Ų114.275%0.75275%0.752SS**  trans-60.1114.7171.600000109.1A52A52-A54 PolarHBondContact O-N 3.34Å
55A58.1Low55.9Low81 Ų81113.9 Ų113.967%0.66974%0.742SS**PPolyproline II helixtrans-58.7142.5173.100000109.4T53 V57T53-A55 PolarHBondContact O-N 3.03Å; T53-A55 VanDerWaalsContact O-N 3.12Å; A55-V57 PolarHBondContact O-N 3.01Å; A55-V57 VanDerWaalsContact O-N 3.08Å
56P53Low58.3Low121 Ų121112.5 Ų112.579%0.78673%0.73SS**PPolyproline II helixtrans-60.4118.8-179.724.9-33.5000109.5P58P56-P58 WeakPolarHBondContact O-CD 3.43Å
57V61.8Low60.9Low128 Ų128114.4 Ų114.478%0.77672%0.716SS**PPolyproline II helixtrans-56.4124170.7178.70000107.2A55 V59A55-V57 PolarHBondContact O-N 3.01Å; A55-V57 VanDerWaalsContact O-N 3.08Å; V57-V59 PolarHBondContact O-N 3.29Å; V57-V59 VanDerWaalsContact O-N 3.08Å
58P57.3Low63.4Low111 Ų111112.6 Ų112.672%0.72170%0.696SS**PPolyproline II helixtrans-57.6119.2178-2534.7000109.6P56 P60P56-P58 WeakPolarHBondContact O-CD 3.43Å; P58-P60 WeakPolarHBondContact O-CD 3.13Å
59V60Low65.8Low129 Ų129113.5 Ų113.578%0.78268%0.684SS**PPolyproline II helixtrans-57.5125171.2179.80000106.8V57 V61V57-V59 PolarHBondContact O-N 3.29Å; V57-V59 VanDerWaalsContact O-N 3.08Å; V59-V61 PolarHBondContact O-N 3.24Å; V59-V61 VanDerWaalsContact O-N 3.08Å
60P66.8Low68Low114 Ų114112.6 Ų112.674%0.7467%0.671SS**PPolyproline II helixtrans-55.1120.8179.1-2735.5000110P58P58-P60 WeakPolarHBondContact O-CD 3.13Å
61V63.1Low70.5Confident131 Ų131114.1 Ų114.179%0.79466%0.661SS**PPolyproline II helixtrans-59.1129.1172.2-176.20000106.7V59 D63V59-V61 PolarHBondContact O-N 3.24Å; V59-V61 VanDerWaalsContact O-N 3.08Å; V61-D63 PolarHBondContact O-N 3.08Å
62P70.1Confident72.7Confident110 Ų110110.6 Ų110.671%0.71464%0.644SS**PPolyproline II helixtrans-56.4126.8-178.422.5-33.5000109.6W64P62-W64 PolarHBondContact O-N 3.08Å; P62-W64 VanDerWaalsContact O-N 3.17Å
63D85.9Confident75Confident61 Ų61111.5 Ų111.533%0.32663%0.632SS.*PPolyproline II helixtrans-61.3122-177.7-179.87.3000109.2V61 R65 Q66 F67V61-D63 PolarHBondContact O-N 3.08Å; D63-R65 PolarHBondContact O-N 2.83Å; D63-R65 VanDerWaalsContact O-N 3.13Å; D63-R65 WeakPolarHBondContact OD1-CB 3.32Å; D63-R65 WeakPolarHBondContact OD1-CG 3.27Å; D63-R65 PolarHBondContact OD1-N 3.23Å; D63-Q66 HydrophobicContact CB-CB 4.25Å; D63-Q66 HydrophobicContact CB-CG 4Å; D63-Q66 PolarHBondContact O-N 3.37Å; D63-F67 PolarHBondContact O-N 2.89Å
64W88.3Confident76.8Confident163 Ų163107.5 Ų107.562%0.61761%0.613SS**Hα-helixtrans-58.4-27.4178.868-92.9000111.4P62 C68P62-W64 PolarHBondContact O-N 3.08Å; P62-W64 VanDerWaalsContact O-N 3.17Å; W64-C68 WeakPolarHBondContact O-CB 3.44Å; W64-C68 PolarHBondContact O-N 2.96Å; W64-C68 PolarHBondContact O-SG 3.02Å
65R91.3Very high78.7Confident154 Ų154104.5 Ų104.558%0.58159%0.588SS**Hα-helixtrans-66.3-49.2174.8-57.5177.8173.2-77.10.6111.2D63 F67 C68 E69D63-R65 PolarHBondContact O-N 2.83Å; D63-R65 VanDerWaalsContact O-N 3.13Å; D63-R65 WeakPolarHBondContact OD1-CB 3.32Å; D63-R65 WeakPolarHBondContact OD1-CG 3.27Å; D63-R65 PolarHBondContact OD1-N 3.23Å; R65-F67 VanDerWaalsContact C-N 3.33Å; R65-F67 PolarHBondContact O-N 3.45Å; R65-C68 PolarHBondContact O-N 3.01Å; R65-E69 VanDerWaalsContact O-CB 3.3Å; R65-E69 WeakPolarHBondContact O-CB 3.36Å; R65-E69 PolarHBondContact O-N 3.27Å
66Q88.9Confident80.4Confident129 Ų129103.2 Ų103.260%0.60358%0.577SS**Hα-helixtrans-63.8-38.5176.4-64.9178.9-2.300111.6D63 E69 L70D63-Q66 HydrophobicContact CB-CB 4.25Å; D63-Q66 HydrophobicContact CB-CG 4Å; D63-Q66 PolarHBondContact O-N 3.37Å; Q66-E69 PolarHBondContact O-N 3.2Å; Q66-L70 WeakPolarHBondContact O-CB 3.46Å; Q66-L70 PolarHBondContact O-N 2.55Å
67F85.8Confident82.3Confident122 Ų122101.4 Ų101.454%0.53556%0.564SS.*Hα-helixtrans-60.7-50.4172.9174.3-91.2000111.6D63 R65 H71D63-F67 PolarHBondContact O-N 2.89Å; R65-F67 VanDerWaalsContact C-N 3.33Å; R65-F67 PolarHBondContact O-N 3.45Å; F67-H71 AromaticContact CD2-CE1 3.59Å; F67-H71 AromaticContact CD2-ND1 3.79Å; F67-H71 AromaticContact CE2-CE1 3.25Å; F67-H71 WeakPolarHBondContact CE2-CE1 3.44Å; F67-H71 AromaticContact CE2-ND1 3.67Å; F67-H71 AromaticContact CZ-CE1 3.74Å; F67-H71 AromaticContact CZ-ND1 3.85Å; F67-H71 PolarHBondContact O-N 3.34Å; F67-H71 PolarHBondContact O-ND1 2.64Å
68C89Confident83.7Confident66 Ų6699 Ų9945%0.44655%0.547SS..Hα-helixtrans-63.2-41.8177.6-74.50000112W64 R65 H71 A72W64-C68 WeakPolarHBondContact O-CB 3.44Å; W64-C68 PolarHBondContact O-N 2.96Å; W64-C68 PolarHBondContact O-SG 3.02Å; R65-C68 PolarHBondContact O-N 3.01Å; C68-H71 PolarHBondContact O-N 2.77Å; C68-A72 WeakPolarHBondContact O-CB 3.49Å; C68-A72 PolarHBondContact O-N 2.93Å
69E90.3Very high85.5Confident114 Ų11496 Ų9653%0.53352%0.522SS..Hα-helixtrans-62.3-49178.9-179.4172.2-169.700111.9R65 Q66 H71 A72 Q73R65-E69 VanDerWaalsContact O-CB 3.3Å; R65-E69 WeakPolarHBondContact O-CB 3.36Å; R65-E69 PolarHBondContact O-N 3.27Å; Q66-E69 PolarHBondContact O-N 3.2Å; E69-H71 VanDerWaalsContact C-N 3.32Å; E69-H71 PolarHBondContact O-N 2.92Å; E69-A72 PolarHBondContact O-N 2.72Å; E69-Q73 HydrophobicContact CG-CG 4.5Å; E69-Q73 WeakPolarHBondContact O-CB 3.32Å; E69-Q73 WeakPolarHBondContact O-CG 3.42Å; E69-Q73 PolarHBondContact O-N 3.28Å; E69-Q73 PolarHBondContact OE1-NE2 3.24Å
70L90.9Very high87.1Confident107 Ų10791.9 Ų91.956%0.5650%0.503SS*.Hα-helixtrans-59.6-41.7178.8-178.2149.1000112.1Q66 A74Q66-L70 WeakPolarHBondContact O-CB 3.46Å; Q66-L70 PolarHBondContact O-N 2.55Å; L70-A74 PolarHBondContact O-N 3.17Å
71H89.4Confident88.3Confident96 Ų9692.9 Ų92.944%0.44450%0.497SS..Hα-helixtrans-76-32.5178.6-68.385.1000112.6F67 C68 E69 A74 A75F67-H71 AromaticContact CD2-CE1 3.59Å; F67-H71 AromaticContact CD2-ND1 3.79Å; F67-H71 AromaticContact CE2-CE1 3.25Å; F67-H71 WeakPolarHBondContact CE2-CE1 3.44Å; F67-H71 AromaticContact CE2-ND1 3.67Å; F67-H71 AromaticContact CZ-CE1 3.74Å; F67-H71 AromaticContact CZ-ND1 3.85Å; F67-H71 PolarHBondContact O-N 3.34Å; F67-H71 PolarHBondContact O-ND1 2.64Å; C68-H71 PolarHBondContact O-N 2.77Å; E69-H71 VanDerWaalsContact C-N 3.32Å; E69-H71 PolarHBondContact O-N 2.92Å; H71-A74 PolarHBondContact O-N 3.4Å; H71-A75 WeakPolarHBondContact O-CB 3.45Å; H71-A75 PolarHBondContact O-N 2.77Å
72A90.6Very high89.7Confident59 Ų5992.4 Ų92.449%0.48848%0.484SS..Hα-helixtrans-65.8-41.5172.100000111.6C68 E69 A75 A76C68-A72 WeakPolarHBondContact O-CB 3.49Å; C68-A72 PolarHBondContact O-N 2.93Å; E69-A72 PolarHBondContact O-N 2.72Å; A72-A75 PolarHBondContact O-N 2.84Å; A72-A76 VanDerWaalsContact O-CB 3.25Å; A72-A76 WeakPolarHBondContact O-CB 3.24Å; A72-A76 PolarHBondContact O-N 2.93Å
73Q91.5Very high90.9Very high112 Ų11288.8 Ų88.852%0.52346%0.457SS..Hα-helixtrans-61.3-46.5173-71.2177.515.700111.2E69 A75 A76 V77E69-Q73 HydrophobicContact CG-CG 4.5Å; E69-Q73 WeakPolarHBondContact O-CB 3.32Å; E69-Q73 WeakPolarHBondContact O-CG 3.42Å; E69-Q73 PolarHBondContact O-N 3.28Å; E69-Q73 PolarHBondContact OE1-NE2 3.24Å; Q73-A75 PolarHBondContact O-N 2.93Å; Q73-A76 PolarHBondContact O-N 2.79Å; Q73-V77 WeakPolarHBondContact O-CG2 3.39Å; Q73-V77 PolarHBondContact O-N 3Å
74A89.7Confident91.2Very high59 Ų5989.7 Ų89.749%0.48847%0.468SS..Hα-helixtrans-60.9-44.917700000112.7L70 H71 V77 D78L70-A74 PolarHBondContact O-N 3.17Å; H71-A74 PolarHBondContact O-N 3.4Å; A74-V77 PolarHBondContact O-N 3.16Å; A74-D78 PolarHBondContact O-N 2.96Å; A74-D78 VanDerWaalsContact O-N 3.09Å
75A91.4Very high91.5Very high28 Ų2889.3 Ų89.323%0.23147%0.466CS..Hα-helixtrans-65-39.4176.300000112.4H71 A72 Q73 D78 F79H71-A75 WeakPolarHBondContact O-CB 3.45Å; H71-A75 PolarHBondContact O-N 2.77Å; A72-A75 PolarHBondContact O-N 2.84Å; Q73-A75 PolarHBondContact O-N 2.93Å; A75-D78 PolarHBondContact O-N 3.06Å; A75-F79 VanDerWaalsContact O-CB 3.32Å; A75-F79 WeakPolarHBondContact O-CB 3.28Å; A75-F79 PolarHBondContact O-N 3.13Å
76A93.4Very high91.6Very high53 Ų5385.2 Ų85.244%0.43845%0.453SS..Hα-helixtrans-65-39.6176.500000112.3A72 Q73 A80A72-A76 VanDerWaalsContact O-CB 3.25Å; A72-A76 WeakPolarHBondContact O-CB 3.24Å; A72-A76 PolarHBondContact O-N 2.93Å; Q73-A76 PolarHBondContact O-N 2.79Å; A76-A80 WeakPolarHBondContact O-CB 3.37Å; A76-A80 PolarHBondContact O-N 3.22Å
77V91.9Very high91.9Very high83 Ų8379.8 Ų79.850%0.50343%0.427SS..Hα-helixtrans-67.2-43.7176.4170.10000111.6Q73 A74 A80 H81Q73-V77 WeakPolarHBondContact O-CG2 3.39Å; Q73-V77 PolarHBondContact O-N 3Å; A74-V77 PolarHBondContact O-N 3.16Å; V77-A80 PolarHBondContact O-N 3.33Å; V77-H81 VanDerWaalsContact CG1-CE1 3.49Å; V77-H81 WeakPolarHBondContact CG1-CE1 2.92Å; V77-H81 PolarHBondContact O-N 3.23Å; V77-H81 VanDerWaalsContact O-N 3.12Å; V77-H81 PolarHBondContact O-ND1 2.78Å
78D91.8Very high92.2Very high79 Ų7981.9 Ų81.942%0.42243%0.432SS..Hα-helixtrans-63.3-44.3174.8172.470000112A74 A75 H81 K82A74-D78 PolarHBondContact O-N 2.96Å; A74-D78 VanDerWaalsContact O-N 3.09Å; A75-D78 PolarHBondContact O-N 3.06Å; D78-H81 PolarHBondContact O-N 2.95Å; D78-K82 WeakPolarHBondContact O-CG 3.25Å; D78-K82 PolarHBondContact O-N 2.8Å; D78-K82 VanDerWaalsContact O-N 3.17Å; D78-K82 WeakPolarHBondContact OD1-CE 3.44Å; D78-K82 IonicContact OD1-NZ 3.5Å; D78-K82 PolarHBondContact OD1-NZ 3.42Å; D78-K82 WeakPolarHBondContact OD2-CE 3.48Å; D78-K82 IonicContact OD2-NZ 2.78Å; D78-K82 PolarHBondContact OD2-NZ 3.26Å
79F95.3Very high92.3Very high46 Ų4682.4 Ų82.420%0.20243%0.43CS..Hα-helixtrans-63-44175-178.1-108000112.1A75 H81 K82 F83 F102 F106A75-F79 VanDerWaalsContact O-CB 3.32Å; A75-F79 WeakPolarHBondContact O-CB 3.28Å; A75-F79 PolarHBondContact O-N 3.13Å; F79-H81 PolarHBondContact O-N 3.21Å; F79-K82 CarbonylContact O-C 3.56Å; F79-K82 PolarHBondContact O-N 3.09Å; F79-K82 VanDerWaalsContact O-N 3.14Å; F79-F83 HydrophobicContact CE1-CB 4.4Å; F79-F83 VanDerWaalsContact O-CB 3.28Å; F79-F83 WeakPolarHBondContact O-CB 3.47Å; F79-F83 PolarHBondContact O-N 2.95Å; F79-F102 HydrophobicContact CZ-CB 4.32Å; F79-F106 HydrophobicContact CB-CD1 4.49Å; F79-F106 HydrophobicContact CB-CE1 4.11Å; F79-F106 HydrophobicContact CB-CE2 4.22Å; F79-F106 HydrophobicContact CB-CZ 3.97Å; F79-F106 HydrophobicContact CD1-CB 4.39Å; F79-F106 HydrophobicContact CD1-CD1 4.04Å; F79-F106 HydrophobicContact CD1-CE1 4.48Å; F79-F106 HydrophobicContact CD1-CG 4.07Å; F79-F106 HydrophobicContact CD2-CB 4.31Å; F79-F106 HydrophobicContact CD2-CD1 4.3Å; F79-F106 AromaticContact CD2-CD2 3.39Å; F79-F106 HydrophobicContact CD2-CD2 3.39Å; F79-F106 AromaticContact CD2-CE2 3.67Å; F79-F106 HydrophobicContact CD2-CE2 3.67Å; F79-F106 AromaticContact CD2-CG 3.74Å; F79-F106 HydrophobicContact CD2-CG 3.74Å; F79-F106 HydrophobicContact CD2-CZ 4.24Å; F79-F106 HydrophobicContact CE1-CB 3.9Å; F79-F106 HydrophobicContact CE1-CD1 4.37Å; F79-F106 HydrophobicContact CE1-CG 4.07Å; F79-F106 HydrophobicContact CE2-CB 3.8Å; F79-F106 AromaticContact CE2-CD2 3.56Å; F79-F106 HydrophobicContact CE2-CD2 3.56Å; F79-F106 HydrophobicContact CE2-CE2 4.3Å; F79-F106 AromaticContact CE2-CG 3.75Å; F79-F106 HydrophobicContact CE2-CG 3.75Å; F79-F106 HydrophobicContact CG-CD1 4.01Å; F79-F106 AromaticContact CG-CD2 3.92Å; F79-F106 HydrophobicContact CG-CD2 3.92Å; F79-F106 HydrophobicContact CG-CE1 4.12Å; F79-F106 HydrophobicContact CG-CE2 4.03Å; F79-F106 AromaticContact CG-CG 3.91Å; F79-F106 HydrophobicContact CG-CG 3.91Å; F79-F106 HydrophobicContact CG-CZ 4.13Å; F79-F106 HydrophobicContact CZ-CB 3.58Å; F79-F106 HydrophobicContact CZ-CD2 4.21Å; F79-F106 AromaticContact CZ-CG 3.91Å; F79-F106 HydrophobicContact CZ-CG 3.91Å
80A94.4Very high92.3Very high44 Ų4480 Ų8036%0.36442%0.421SS..Hα-helixtrans-59.8-43.9178.600000112.3A76 V77 K82 F83 C84A76-A80 WeakPolarHBondContact O-CB 3.37Å; A76-A80 PolarHBondContact O-N 3.22Å; V77-A80 PolarHBondContact O-N 3.33Å; A80-K82 VanDerWaalsContact C-N 3.33Å; A80-K82 PolarHBondContact O-N 2.87Å; A80-F83 PolarHBondContact O-N 3.01Å; A80-C84 WeakPolarHBondContact O-CB 3.22Å; A80-C84 PolarHBondContact O-N 2.99Å; A80-C84 PolarHBondContact O-SG 3.47Å; A80-C84 VanDerWaalsContact O-SG 3.33Å
81H91Very high92.4Very high135 Ų13579.4 Ų79.463%0.62542%0.424SS*.Hα-helixtrans-61.6-40.1174.7-70126.2000112.6V77 D78 F79 R85V77-H81 VanDerWaalsContact CG1-CE1 3.49Å; V77-H81 WeakPolarHBondContact CG1-CE1 2.92Å; V77-H81 PolarHBondContact O-N 3.23Å; V77-H81 VanDerWaalsContact O-N 3.12Å; V77-H81 PolarHBondContact O-ND1 2.78Å; D78-H81 PolarHBondContact O-N 2.95Å; F79-H81 PolarHBondContact O-N 3.21Å; H81-R85 WeakPolarHBondContact O-CB 3.45Å; H81-R85 PolarHBondContact O-N 3.08Å; H81-R85 VanDerWaalsContact O-N 3.15Å
82K93.3Very high92.5Very high121 Ų12179.3 Ų79.353%0.52644%0.44SS..Hα-helixtrans-69.8-38.2177.2-71.1167.4-178168.40112.1D78 F79 A80 F86D78-K82 WeakPolarHBondContact O-CG 3.25Å; D78-K82 PolarHBondContact O-N 2.8Å; D78-K82 VanDerWaalsContact O-N 3.17Å; D78-K82 WeakPolarHBondContact OD1-CE 3.44Å; D78-K82 IonicContact OD1-NZ 3.5Å; D78-K82 PolarHBondContact OD1-NZ 3.42Å; D78-K82 WeakPolarHBondContact OD2-CE 3.48Å; D78-K82 IonicContact OD2-NZ 2.78Å; D78-K82 PolarHBondContact OD2-NZ 3.26Å; F79-K82 CarbonylContact O-C 3.56Å; F79-K82 PolarHBondContact O-N 3.09Å; F79-K82 VanDerWaalsContact O-N 3.14Å; A80-K82 VanDerWaalsContact C-N 3.33Å; A80-K82 PolarHBondContact O-N 2.87Å; K82-F86 WeakPolarHBondContact O-CB 3.34Å; K82-F86 PolarHBondContact O-N 3.26Å
83F94.4Very high92.4Very high34 Ų3482.5 Ų82.515%0.14944%0.44CS..Hα-helixtrans-65.9-52176.2169.3-104000112.1F79 A80 R85 F86 L87 A98 F102F79-F83 HydrophobicContact CE1-CB 4.4Å; F79-F83 VanDerWaalsContact O-CB 3.28Å; F79-F83 WeakPolarHBondContact O-CB 3.47Å; F79-F83 PolarHBondContact O-N 2.95Å; A80-F83 PolarHBondContact O-N 3.01Å; F83-R85 PolarHBondContact O-N 2.99Å; F83-F86 WeakPolarHBondContact O-CA 3.3Å; F83-F86 WeakPolarHBondContact O-CB 3.34Å; F83-F86 PolarHBondContact O-N 3.03Å; F83-L87 HydrophobicContact CD1-CD1 4.45Å; F83-L87 HydrophobicContact CD2-CG 4.4Å; F83-L87 HydrophobicContact CE1-CD1 3.73Å; F83-L87 HydrophobicContact CE1-CG 4.5Å; F83-L87 HydrophobicContact CE2-CD1 3.83Å; F83-L87 HydrophobicContact CE2-CD2 4.25Å; F83-L87 HydrophobicContact CE2-CG 3.99Å; F83-L87 HydrophobicContact CZ-CD1 3.38Å; F83-L87 HydrophobicContact CZ-CG 4.06Å; F83-L87 PolarHBondContact O-N 3.47Å; F83-A98 HydrophobicContact CE2-CB 4.44Å; F83-A98 HydrophobicContact CZ-CB 4.25Å; F83-F102 HydrophobicContact CD2-CB 3.87Å; F83-F102 AromaticContact CD2-CD1 3.82Å; F83-F102 HydrophobicContact CD2-CD1 3.82Å; F83-F102 AromaticContact CD2-CG 3.93Å; F83-F102 HydrophobicContact CD2-CG 3.93Å; F83-F102 HydrophobicContact CE2-CB 3.67Å; F83-F102 AromaticContact CE2-CD1 3.94Å; F83-F102 HydrophobicContact CE2-CD1 3.94Å; F83-F102 HydrophobicContact CE2-CD2 4.09Å; F83-F102 AromaticContact CE2-CG 3.65Å; F83-F102 HydrophobicContact CE2-CG 3.65Å
84C93.4Very high92.4Very high80 Ų8082.4 Ų82.454%0.54144%0.443SS..Hα-helixtrans-61.5-34.9177.3-66.50000112.1A80 R88A80-C84 WeakPolarHBondContact O-CB 3.22Å; A80-C84 PolarHBondContact O-N 2.99Å; A80-C84 PolarHBondContact O-SG 3.47Å; A80-C84 VanDerWaalsContact O-SG 3.33Å; C84-R88 PolarHBondContact O-N 2.92Å
85R93.7Very high92.5Very high155 Ų15583 Ų8359%0.58544%0.441SS*.Hα-helixtrans-64.5-48.2168.8174.4164.7-168.9168.53.4111.7H81 F83 L87 R88 D89H81-R85 WeakPolarHBondContact O-CB 3.45Å; H81-R85 PolarHBondContact O-N 3.08Å; H81-R85 VanDerWaalsContact O-N 3.15Å; F83-R85 PolarHBondContact O-N 2.99Å; R85-L87 VanDerWaalsContact C-N 3.34Å; R85-L87 PolarHBondContact O-N 2.89Å; R85-R88 PolarHBondContact O-N 3.26Å; R85-D89 WeakPolarHBondContact CG-OD2 3.26Å; R85-D89 IonicContact CZ-OD2 2.84Å; R85-D89 IonicContact NE-OD2 2.77Å; R85-D89 PolarHBondContact NE-OD2 3.08Å; R85-D89 VanDerWaalsContact O-CB 3.24Å; R85-D89 WeakPolarHBondContact O-CB 3.44Å; R85-D89 PolarHBondContact O-N 3.29Å
86F93.6Very high92.3Very high68 Ų6888.8 Ų88.830%0.29848%0.476SS..Hα-helixtrans-59-43-179178.9-92.1000112.4K82 F83 D89 N90 Y93 F102K82-F86 WeakPolarHBondContact O-CB 3.34Å; K82-F86 PolarHBondContact O-N 3.26Å; F83-F86 WeakPolarHBondContact O-CA 3.3Å; F83-F86 WeakPolarHBondContact O-CB 3.34Å; F83-F86 PolarHBondContact O-N 3.03Å; F86-D89 CarbonylContact O-C 3.53Å; F86-D89 PolarHBondContact O-N 3.16Å; F86-N90 HydrophobicContact CE1-CB 4.44Å; F86-N90 HydrophobicContact CZ-CB 4.4Å; F86-N90 WeakPolarHBondContact O-CB 3.21Å; F86-N90 PolarHBondContact O-N 3.27Å; F86-N90 PolarHBondContact O-ND2 3.49Å; F86-Y93 HydrophobicContact CE1-CD2 4.02Å; F86-Y93 HydrophobicContact CE1-CG 4.2Å; F86-Y93 HydrophobicContact CZ-CD2 4.21Å; F86-Y93 HydrophobicContact CZ-CE2 4.45Å; F86-F102 AromaticContact CD1-CE1 3.87Å; F86-F102 HydrophobicContact CD1-CE1 3.87Å; F86-F102 HydrophobicContact CD1-CZ 4.33Å; F86-F102 AromaticContact CE1-CE1 3.72Å; F86-F102 HydrophobicContact CE1-CE1 3.72Å; F86-F102 AromaticContact CE1-CZ 3.88Å; F86-F102 HydrophobicContact CE1-CZ 3.88Å
87L94.9Very high92.1Very high14 Ų1489.9 Ų89.97%0.07347%0.474CS..Hα-helixtrans-65.1-48.2177.1-69-173.1000112.4F83 R85 D89 N90 P91 D94F83-L87 HydrophobicContact CD1-CD1 4.45Å; F83-L87 HydrophobicContact CD2-CG 4.4Å; F83-L87 HydrophobicContact CE1-CD1 3.73Å; F83-L87 HydrophobicContact CE1-CG 4.5Å; F83-L87 HydrophobicContact CE2-CD1 3.83Å; F83-L87 HydrophobicContact CE2-CD2 4.25Å; F83-L87 HydrophobicContact CE2-CG 3.99Å; F83-L87 HydrophobicContact CZ-CD1 3.38Å; F83-L87 HydrophobicContact CZ-CG 4.06Å; F83-L87 PolarHBondContact O-N 3.47Å; R85-L87 VanDerWaalsContact C-N 3.34Å; R85-L87 PolarHBondContact O-N 2.89Å; L87-D89 VanDerWaalsContact C-N 3.28Å; L87-D89 PolarHBondContact O-N 2.79Å; L87-N90 CarbonylContact O-C 3.51Å; L87-N90 PolarHBondContact O-N 3.23Å; L87-P91 WeakPolarHBondContact O-CA 3.39Å; L87-P91 VanDerWaalsContact O-N 3.11Å; L87-D94 HydrophobicContact CD2-CB 4.38Å
88R92.1Very high91.9Very high166 Ų16686 Ų8663%0.62645%0.45SS*.Hα-helixtrans-59.5-41175.8-176.9-166.963.3-141.8-7.9111.9C84 R85 N90C84-R88 PolarHBondContact O-N 2.92Å; R85-R88 PolarHBondContact O-N 3.26Å; R88-N90 VanDerWaalsContact C-N 3.26Å; R88-N90 PolarHBondContact O-N 2.83Å
89D91.8Very high91.7Very high77 Ų7784 Ų8441%0.41245%0.449SS..Hα-helixtrans-77.8-11.7179.8-58.13.4000111.1R85 F86 L87R85-D89 WeakPolarHBondContact CG-OD2 3.26Å; R85-D89 IonicContact CZ-OD2 2.84Å; R85-D89 IonicContact NE-OD2 2.77Å; R85-D89 PolarHBondContact NE-OD2 3.08Å; R85-D89 VanDerWaalsContact O-CB 3.24Å; R85-D89 WeakPolarHBondContact O-CB 3.44Å; R85-D89 PolarHBondContact O-N 3.29Å; F86-D89 CarbonylContact O-C 3.53Å; F86-D89 PolarHBondContact O-N 3.16Å; L87-D89 VanDerWaalsContact C-N 3.28Å; L87-D89 PolarHBondContact O-N 2.79Å
90N90.1Very high91.5Very high64 Ų6483.9 Ų83.934%0.34246%0.457SS..  trans-146.271.1178.7-53.2-99.2000113.1F86 L87 R88 A92 Y93F86-N90 HydrophobicContact CE1-CB 4.44Å; F86-N90 HydrophobicContact CZ-CB 4.4Å; F86-N90 WeakPolarHBondContact O-CB 3.21Å; F86-N90 PolarHBondContact O-N 3.27Å; F86-N90 PolarHBondContact O-ND2 3.49Å; L87-N90 CarbonylContact O-C 3.51Å; L87-N90 PolarHBondContact O-N 3.23Å; R88-N90 VanDerWaalsContact C-N 3.26Å; R88-N90 PolarHBondContact O-N 2.83Å; N90-A92 PolarHBondContact O-N 3.48Å; N90-Y93 HydrophobicContact CB-CD2 3.84Å; N90-Y93 HydrophobicContact CB-CE2 4.27Å; N90-Y93 PolarHBondContact O-N 3.36Å
91P92.4Very high91.4Very high95 Ų9584.2 Ų84.262%0.61746%0.456SS*.G310 helixtrans-60.9-18-169.7-27.636.6000116.5L87 Y93 D94L87-P91 WeakPolarHBondContact O-CA 3.39Å; L87-P91 VanDerWaalsContact O-N 3.11Å; P91-Y93 PolarHBondContact O-N 3.46Å; P91-Y93 VanDerWaalsContact O-N 3.13Å; P91-D94 WeakPolarHBondContact O-CB 3.33Å; P91-D94 PolarHBondContact O-N 2.97Å; P91-D94 VanDerWaalsContact O-N 3.08Å
92A92.6Very high91.5Very high94 Ų9480.8 Ų80.878%0.77744%0.44SS*.G310 helixtrans-64-13.6177.200000114.4N90N90-A92 PolarHBondContact O-N 3.48Å
93Y87.7Confident91.5Very high126 Ų12677.6 Ų77.649%0.49443%0.433SS..G310 helixtrans-101.9-1.9175.6-59-82000113.3F86 N90 P91 T95 A98F86-Y93 HydrophobicContact CE1-CD2 4.02Å; F86-Y93 HydrophobicContact CE1-CG 4.2Å; F86-Y93 HydrophobicContact CZ-CD2 4.21Å; F86-Y93 HydrophobicContact CZ-CE2 4.45Å; N90-Y93 HydrophobicContact CB-CD2 3.84Å; N90-Y93 HydrophobicContact CB-CE2 4.27Å; N90-Y93 PolarHBondContact O-N 3.36Å; P91-Y93 PolarHBondContact O-N 3.46Å; P91-Y93 VanDerWaalsContact O-N 3.13Å; Y93-T95 PolarHBondContact O-N 3.3Å; Y93-A98 WeakPolarHBondContact O-CB 3.47Å
94D91.3Very high91.4Very high109 Ų10983 Ų8358%0.58345%0.452SS*.  trans-78.672.3179.4-163.210000110.6L87 P91L87-D94 HydrophobicContact CD2-CB 4.38Å; P91-D94 WeakPolarHBondContact O-CB 3.33Å; P91-D94 PolarHBondContact O-N 2.97Å; P91-D94 VanDerWaalsContact O-N 3.08Å
95T92.3Very high91.3Very high73 Ų7385.5 Ų85.545%0.44846%0.456SS..  trans-102.5154178.461.90000110Y93 D97 A98Y93-T95 PolarHBondContact O-N 3.3Å; T95-D97 PolarHBondContact O-N 2.89Å; T95-D97 VanDerWaalsContact O-N 3.11Å; T95-A98 WeakPolarHBondContact O-CB 3.39Å; T95-A98 PolarHBondContact O-N 2.99Å; T95-A98 PolarHBondContact OG1-N 3.16Å
96P87.2Confident91.4Very high148 Ų14881.4 Ų81.496%0.96144%0.442SS*.THydrogen-bonded Turntrans-62-22.5-176.922.1-33.3000114.8
97D89.6Confident91.4Very high76 Ų7680.7 Ų80.741%0.40645%0.449SS..THydrogen-bonded Turntrans-91.4-4.6172.1-17070.3000113.4T95 G99 A100 S101 R104T95-D97 PolarHBondContact O-N 2.89Å; T95-D97 VanDerWaalsContact O-N 3.11Å; D97-G99 VanDerWaalsContact C-N 3.27Å; D97-G99 PolarHBondContact O-N 2.9Å; D97-G99 VanDerWaalsContact O-N 3.14Å; D97-A100 PolarHBondContact O-N 3.47Å; D97-S101 PolarHBondContact O-N 3.45Å; D97-S101 WeakPolarHBondContact OD2-CB 3.21Å; D97-S101 PolarHBondContact OD2-OG 2.84Å; D97-R104 IonicContact OD1-NH2 2.67Å; D97-R104 PolarHBondContact OD1-NH2 3.01Å; D97-R104 IonicContact OD2-NH2 3.56Å; D97-R104 PolarHBondContact OD2-NH2 3.11Å
98A87.1Confident91.2Very high1 Ų182.3 Ų82.31%0.00846%0.464CS..Hα-helixtrans-53.8-42.6-173.300000112.5F83 Y93 T95 A100 S101 F102F83-A98 HydrophobicContact CE2-CB 4.44Å; F83-A98 HydrophobicContact CZ-CB 4.25Å; Y93-A98 WeakPolarHBondContact O-CB 3.47Å; T95-A98 WeakPolarHBondContact O-CB 3.39Å; T95-A98 PolarHBondContact O-N 2.99Å; T95-A98 PolarHBondContact OG1-N 3.16Å; A98-A100 VanDerWaalsContact C-N 3.35Å; A98-A100 PolarHBondContact O-N 2.72Å; A98-S101 PolarHBondContact O-N 2.79Å; A98-F102 HydrophobicContact CB-CD2 4.31Å; A98-F102 HydrophobicContact CB-CE2 4.41Å; A98-F102 VanDerWaalsContact O-CB 3.25Å; A98-F102 WeakPolarHBondContact O-CB 3.43Å; A98-F102 WeakPolarHBondContact O-CD2 3.41Å; A98-F102 PolarHBondContact O-N 2.92Å
99G88.3Confident91.1Very high38 Ų3877.9 Ų77.939%0.39245%0.453SS..Hα-helixtrans-59-42.6176.100000113.1D97 S103D97-G99 VanDerWaalsContact C-N 3.27Å; D97-G99 PolarHBondContact O-N 2.9Å; D97-G99 VanDerWaalsContact O-N 3.14Å; G99-S103 WeakPolarHBondContact O-CB 3.44Å; G99-S103 PolarHBondContact O-N 2.84Å; G99-S103 PolarHBondContact O-OG 3.08Å
100A91.3Very high91.2Very high44 Ų4478.8 Ų78.836%0.36445%0.453SS..Hα-helixtrans-78.4-38.4179.900000112.7D97 A98 S103 R104D97-A100 PolarHBondContact O-N 3.47Å; A98-A100 VanDerWaalsContact C-N 3.35Å; A98-A100 PolarHBondContact O-N 2.72Å; A100-S103 PolarHBondContact O-OG 2.86Å; A100-R104 WeakPolarHBondContact O-CB 3.37Å; A100-R104 VanDerWaalsContact O-CG 3.22Å; A100-R104 WeakPolarHBondContact O-CG 3.29Å; A100-R104 PolarHBondContact O-N 3Å; A100-R104 VanDerWaalsContact O-N 3.14Å; A100-R104 PolarHBondContact O-NE 2.81Å
101S91.1Very high91.2Very high51 Ų5181.3 Ų81.336%0.35747%0.466SS..Hα-helixtrans-68.7-46.6175.9-88.20000112.6D97 A98 R104 H105D97-S101 PolarHBondContact O-N 3.45Å; D97-S101 WeakPolarHBondContact OD2-CB 3.21Å; D97-S101 PolarHBondContact OD2-OG 2.84Å; A98-S101 PolarHBondContact O-N 2.79Å; S101-R104 PolarHBondContact OG-NH2 2.93Å; S101-H105 WeakPolarHBondContact O-CB 3.48Å; S101-H105 PolarHBondContact O-N 3.29Å
102F92.6Very high90.8Very high62 Ų6282.1 Ų82.127%0.27247%0.465SS..Hα-helixtrans-68.6-38.7179.4-79.7-118.5000112F79 F83 F86 A98 H105 F106F79-F102 HydrophobicContact CZ-CB 4.32Å; F83-F102 HydrophobicContact CD2-CB 3.87Å; F83-F102 AromaticContact CD2-CD1 3.82Å; F83-F102 HydrophobicContact CD2-CD1 3.82Å; F83-F102 AromaticContact CD2-CG 3.93Å; F83-F102 HydrophobicContact CD2-CG 3.93Å; F83-F102 HydrophobicContact CE2-CB 3.67Å; F83-F102 AromaticContact CE2-CD1 3.94Å; F83-F102 HydrophobicContact CE2-CD1 3.94Å; F83-F102 HydrophobicContact CE2-CD2 4.09Å; F83-F102 AromaticContact CE2-CG 3.65Å; F83-F102 HydrophobicContact CE2-CG 3.65Å; F86-F102 AromaticContact CD1-CE1 3.87Å; F86-F102 HydrophobicContact CD1-CE1 3.87Å; F86-F102 HydrophobicContact CD1-CZ 4.33Å; F86-F102 AromaticContact CE1-CE1 3.72Å; F86-F102 HydrophobicContact CE1-CE1 3.72Å; F86-F102 AromaticContact CE1-CZ 3.88Å; F86-F102 HydrophobicContact CE1-CZ 3.88Å; A98-F102 HydrophobicContact CB-CD2 4.31Å; A98-F102 HydrophobicContact CB-CE2 4.41Å; A98-F102 VanDerWaalsContact O-CB 3.25Å; A98-F102 WeakPolarHBondContact O-CB 3.43Å; A98-F102 WeakPolarHBondContact O-CD2 3.41Å; A98-F102 PolarHBondContact O-N 2.92Å; F102-H105 PolarHBondContact O-N 3.48Å; F102-F106 VanDerWaalsContact O-CB 3.29Å; F102-F106 WeakPolarHBondContact O-CB 3.28Å; F102-F106 PolarHBondContact O-N 3.23Å
103S93.4Very high90.5Very high55 Ų5582.1 Ų82.139%0.38546%0.456SS..Hα-helixtrans-68.4-41.117757.30000112.9G99 A100 F106 A107G99-S103 WeakPolarHBondContact O-CB 3.44Å; G99-S103 PolarHBondContact O-N 2.84Å; G99-S103 PolarHBondContact O-OG 3.08Å; A100-S103 PolarHBondContact O-OG 2.86Å; S103-F106 PolarHBondContact O-N 3.46Å; S103-A107 WeakPolarHBondContact O-CB 3.35Å; S103-A107 PolarHBondContact O-N 3.49Å
104R93.7Very high90.6Very high147 Ų14781.5 Ų81.556%0.55546%0.456SS*.Hα-helixtrans-59-46.1171.8-78.4177.6-70.5171.3-5.5111.7D97 A100 S101 A107 A108D97-R104 IonicContact OD1-NH2 2.67Å; D97-R104 PolarHBondContact OD1-NH2 3.01Å; D97-R104 IonicContact OD2-NH2 3.56Å; D97-R104 PolarHBondContact OD2-NH2 3.11Å; A100-R104 WeakPolarHBondContact O-CB 3.37Å; A100-R104 VanDerWaalsContact O-CG 3.22Å; A100-R104 WeakPolarHBondContact O-CG 3.29Å; A100-R104 PolarHBondContact O-N 3Å; A100-R104 VanDerWaalsContact O-N 3.14Å; A100-R104 PolarHBondContact O-NE 2.81Å; S101-R104 PolarHBondContact OG-NH2 2.93Å; R104-A107 PolarHBondContact O-N 2.88Å; R104-A108 PolarHBondContact O-N 3.17Å; R104-A108 VanDerWaalsContact O-N 3.13Å
105H91.3Very high90.2Very high132 Ų13277.8 Ų77.861%0.61144%0.443SS*.Hα-helixtrans-67.4-40.2179.9-16672.6000112.2S101 F102 A108 N109S101-H105 WeakPolarHBondContact O-CB 3.48Å; S101-H105 PolarHBondContact O-N 3.29Å; F102-H105 PolarHBondContact O-N 3.48Å; H105-A108 PolarHBondContact O-N 2.93Å; H105-N109 PolarHBondContact CD2-ND2 3.27Å; H105-N109 VanDerWaalsContact CD2-ND2 3.33Å; H105-N109 PolarHBondContact CE1-ND2 2.92Å; H105-N109 PolarHBondContact NE2-ND2 3.1Å; H105-N109 VanDerWaalsContact NE2-ND2 3.14Å; H105-N109 PolarHBondContact O-N 3.44Å; H105-N109 VanDerWaalsContact O-N 3.16Å; H105-N109 PolarHBondContact O-ND2 2.95Å
106F94.3Very high89.8Confident70 Ų7079.7 Ų79.731%0.30745%0.446SS..Hα-helixtrans-60.4-46.4172.7172.3-103000112.1F79 F102 S103 A108 N109 F110F79-F106 HydrophobicContact CB-CD1 4.49Å; F79-F106 HydrophobicContact CB-CE1 4.11Å; F79-F106 HydrophobicContact CB-CE2 4.22Å; F79-F106 HydrophobicContact CB-CZ 3.97Å; F79-F106 HydrophobicContact CD1-CB 4.39Å; F79-F106 HydrophobicContact CD1-CD1 4.04Å; F79-F106 HydrophobicContact CD1-CE1 4.48Å; F79-F106 HydrophobicContact CD1-CG 4.07Å; F79-F106 HydrophobicContact CD2-CB 4.31Å; F79-F106 HydrophobicContact CD2-CD1 4.3Å; F79-F106 AromaticContact CD2-CD2 3.39Å; F79-F106 HydrophobicContact CD2-CD2 3.39Å; F79-F106 AromaticContact CD2-CE2 3.67Å; F79-F106 HydrophobicContact CD2-CE2 3.67Å; F79-F106 AromaticContact CD2-CG 3.74Å; F79-F106 HydrophobicContact CD2-CG 3.74Å; F79-F106 HydrophobicContact CD2-CZ 4.24Å; F79-F106 HydrophobicContact CE1-CB 3.9Å; F79-F106 HydrophobicContact CE1-CD1 4.37Å; F79-F106 HydrophobicContact CE1-CG 4.07Å; F79-F106 HydrophobicContact CE2-CB 3.8Å; F79-F106 AromaticContact CE2-CD2 3.56Å; F79-F106 HydrophobicContact CE2-CD2 3.56Å; F79-F106 HydrophobicContact CE2-CE2 4.3Å; F79-F106 AromaticContact CE2-CG 3.75Å; F79-F106 HydrophobicContact CE2-CG 3.75Å; F79-F106 HydrophobicContact CG-CD1 4.01Å; F79-F106 AromaticContact CG-CD2 3.92Å; F79-F106 HydrophobicContact CG-CD2 3.92Å; F79-F106 HydrophobicContact CG-CE1 4.12Å; F79-F106 HydrophobicContact CG-CE2 4.03Å; F79-F106 AromaticContact CG-CG 3.91Å; F79-F106 HydrophobicContact CG-CG 3.91Å; F79-F106 HydrophobicContact CG-CZ 4.13Å; F79-F106 HydrophobicContact CZ-CB 3.58Å; F79-F106 HydrophobicContact CZ-CD2 4.21Å; F79-F106 AromaticContact CZ-CG 3.91Å; F79-F106 HydrophobicContact CZ-CG 3.91Å; F102-F106 VanDerWaalsContact O-CB 3.29Å; F102-F106 WeakPolarHBondContact O-CB 3.28Å; F102-F106 PolarHBondContact O-N 3.23Å; S103-F106 PolarHBondContact O-N 3.46Å; F106-A108 VanDerWaalsContact C-N 3.34Å; F106-A108 PolarHBondContact O-N 2.92Å; F106-N109 PolarHBondContact O-N 2.85Å; F106-F110 HydrophobicContact CZ-CD2 4.44Å; F106-F110 VanDerWaalsContact O-CB 3.23Å; F106-F110 WeakPolarHBondContact O-CB 3.49Å; F106-F110 PolarHBondContact O-N 2.99Å
107A93.9Very high89.7Confident52 Ų5276.1 Ų76.143%0.4342%0.417SS..Hα-helixtrans-62.4-37.9-179.700000112.9S103 R104 L111S103-A107 WeakPolarHBondContact O-CB 3.35Å; S103-A107 PolarHBondContact O-N 3.49Å; R104-A107 PolarHBondContact O-N 2.88Å; A107-L111 WeakPolarHBondContact O-CG 3.45Å; A107-L111 PolarHBondContact O-N 2.94Å
108A90.9Very high89.3Confident48 Ų4875.2 Ų75.240%0.39741%0.414SS..Hα-helixtrans-63.5-60.4173.800000111.4R104 H105 F106 F110 L111 D112R104-A108 PolarHBondContact O-N 3.17Å; R104-A108 VanDerWaalsContact O-N 3.13Å; H105-A108 PolarHBondContact O-N 2.93Å; F106-A108 VanDerWaalsContact C-N 3.34Å; F106-A108 PolarHBondContact O-N 2.92Å; A108-F110 PolarHBondContact O-N 3.41Å; A108-F110 VanDerWaalsContact O-N 3.13Å; A108-L111 PolarHBondContact O-N 3.39Å; A108-D112 PolarHBondContact O-N 2.92Å
109N90.8Very high89.2Confident73 Ų7381.9 Ų81.939%0.3944%0.439SS..Hα-helixtrans-56.8-33.6-179.7-76.4-97.2000112.7H105 F106 D112 V113H105-N109 PolarHBondContact CD2-ND2 3.27Å; H105-N109 VanDerWaalsContact CD2-ND2 3.33Å; H105-N109 PolarHBondContact CE1-ND2 2.92Å; H105-N109 PolarHBondContact NE2-ND2 3.1Å; H105-N109 VanDerWaalsContact NE2-ND2 3.14Å; H105-N109 PolarHBondContact O-N 3.44Å; H105-N109 VanDerWaalsContact O-N 3.16Å; H105-N109 PolarHBondContact O-ND2 2.95Å; F106-N109 PolarHBondContact O-N 2.85Å; N109-D112 PolarHBondContact O-N 3.43Å; N109-V113 WeakPolarHBondContact O-CB 3.45Å; N109-V113 WeakPolarHBondContact O-CG2 3.34Å; N109-V113 PolarHBondContact O-N 2.86Å
110F93.6Very high88.9Confident96 Ų9688 Ų8842%0.42145%0.45SS..Hα-helixtrans-61.5-42176.7177.8-91.4000111.9F106 A108 F114F106-F110 HydrophobicContact CZ-CD2 4.44Å; F106-F110 VanDerWaalsContact O-CB 3.23Å; F106-F110 WeakPolarHBondContact O-CB 3.49Å; F106-F110 PolarHBondContact O-N 2.99Å; A108-F110 PolarHBondContact O-N 3.41Å; A108-F110 VanDerWaalsContact O-N 3.13Å; F110-F114 HydrophobicContact CE1-CB 4.31Å; F110-F114 HydrophobicContact CE1-CG 4.46Å; F110-F114 HydrophobicContact CZ-CD2 4.35Å; F110-F114 WeakPolarHBondContact O-CB 3.21Å; F110-F114 PolarHBondContact O-N 3.23Å
111L89.9Confident88.2Confident117 Ų11790 Ų9061%0.61346%0.458SS*.Hα-helixtrans-67.3-42.8179.9-67.7170.3000111.7A107 A108 F114 G115A107-L111 WeakPolarHBondContact O-CG 3.45Å; A107-L111 PolarHBondContact O-N 2.94Å; A108-L111 PolarHBondContact O-N 3.39Å; L111-F114 PolarHBondContact O-N 3.4Å; L111-G115 PolarHBondContact O-N 3.06Å; L111-G115 VanDerWaalsContact O-N 3.08Å
112D83.1Confident87.3Confident113 Ų11393.9 Ų93.960%0.60447%0.474SS*.Hα-helixtrans-61.2-52.7178.1-59.1-42.6000110.9A108 N109 G115 E116A108-D112 PolarHBondContact O-N 2.92Å; N109-D112 PolarHBondContact O-N 3.43Å; D112-G115 PolarHBondContact O-N 2.95Å; D112-E116 WeakPolarHBondContact O-CG 3.49Å; D112-E116 PolarHBondContact O-N 2.91Å
113V86.9Confident86Confident94 Ų9497.2 Ų97.257%0.5750%0.499SS*.Hα-helixtrans-68.6-34.8-179.9176.70000112.2N109 G115 E116 E117N109-V113 WeakPolarHBondContact O-CB 3.45Å; N109-V113 WeakPolarHBondContact O-CG2 3.34Å; N109-V113 PolarHBondContact O-N 2.86Å; V113-G115 VanDerWaalsContact C-N 3.32Å; V113-G115 PolarHBondContact O-N 2.94Å; V113-E116 WeakPolarHBondContact O-CB 3.32Å; V113-E116 PolarHBondContact O-N 2.81Å; V113-E117 WeakPolarHBondContact O-CB 3.45Å; V113-E117 PolarHBondContact O-N 2.82Å
114F90.3Very high84Confident113 Ų11398.5 Ų98.550%0.49651%0.513SS..Hα-helixtrans-63.7-39.1175.4178.1-102.8000111.7F110 L111 E116 E117 V118F110-F114 HydrophobicContact CE1-CB 4.31Å; F110-F114 HydrophobicContact CE1-CG 4.46Å; F110-F114 HydrophobicContact CZ-CD2 4.35Å; F110-F114 WeakPolarHBondContact O-CB 3.21Å; F110-F114 PolarHBondContact O-N 3.23Å; L111-F114 PolarHBondContact O-N 3.4Å; F114-E116 VanDerWaalsContact C-N 3.29Å; F114-E116 PolarHBondContact O-N 2.98Å; F114-E117 PolarHBondContact O-N 2.85Å; F114-V118 HydrophobicContact CD1-CG2 4.22Å; F114-V118 HydrophobicContact CD2-CG2 4.17Å; F114-V118 HydrophobicContact CE1-CG2 3.82Å; F114-V118 HydrophobicContact CE2-CG2 3.76Å; F114-V118 HydrophobicContact CG-CG2 4.39Å; F114-V118 HydrophobicContact CZ-CG2 3.57Å; F114-V118 WeakPolarHBondContact O-CB 3.21Å; F114-V118 WeakPolarHBondContact O-CG2 3.42Å; F114-V118 PolarHBondContact O-N 2.84Å
115G81.8Confident81.3Confident30 Ų3093.5 Ų93.531%0.30951%0.507SS..Hα-helixtrans-62-35.217400000113.3L111 D112 V113 R119L111-G115 PolarHBondContact O-N 3.06Å; L111-G115 VanDerWaalsContact O-N 3.08Å; D112-G115 PolarHBondContact O-N 2.95Å; V113-G115 VanDerWaalsContact C-N 3.32Å; V113-G115 PolarHBondContact O-N 2.94Å; G115-R119 WeakPolarHBondContact O-CG 3.4Å; G115-R119 PolarHBondContact O-N 3.46Å; G115-R119 PolarHBondContact O-NE 3.05Å; G115-R119 PolarHBondContact O-NH2 2.87Å
116E84.7Confident79Confident113 Ų11392.7 Ų92.753%0.52851%0.514SS..Hα-helixtrans-68.2-48.2173.1-57.6-97.894.600111.4D112 V113 F114 R119 R120D112-E116 WeakPolarHBondContact O-CG 3.49Å; D112-E116 PolarHBondContact O-N 2.91Å; V113-E116 WeakPolarHBondContact O-CB 3.32Å; V113-E116 PolarHBondContact O-N 2.81Å; F114-E116 VanDerWaalsContact C-N 3.29Å; F114-E116 PolarHBondContact O-N 2.98Å; E116-R119 WeakPolarHBondContact O-CB 3.27Å; E116-R119 PolarHBondContact O-N 3.03Å; E116-R119 IonicContact OE1-CZ 2.72Å; E116-R119 IonicContact OE1-NH1 3.15Å; E116-R119 PolarHBondContact OE1-NH1 2.88Å; E116-R119 IonicContact OE1-NH2 3.83Å; E116-R119 PolarHBondContact OE1-NH2 3.46Å; E116-R120 PolarHBondContact O-N 2.71Å
117E84.6Confident76.4Confident73 Ų7396 Ų9634%0.34154%0.54SS..Hα-helixtrans-66.8-41.3-174.8-175.660.2-168.900112.1V113 F114 R119 R120 V121V113-E117 WeakPolarHBondContact O-CB 3.45Å; V113-E117 PolarHBondContact O-N 2.82Å; F114-E117 PolarHBondContact O-N 2.85Å; E117-R119 VanDerWaalsContact C-N 3.33Å; E117-R119 PolarHBondContact O-N 3.11Å; E117-R120 WeakPolarHBondContact O-CB 3.44Å; E117-R120 PolarHBondContact O-N 2.7Å; E117-R120 IonicContact OE1-CZ 2.7Å; E117-R120 IonicContact OE1-NE 2.73Å; E117-R120 IonicContact OE1-NH2 3.59Å; E117-R120 PolarHBondContact OE1-NH2 2.85Å; E117-R120 IonicContact OE2-CZ 2.71Å; E117-R120 IonicContact OE2-NE 2.85Å; E117-R120 PolarHBondContact OE2-NE 2.84Å; E117-R120 IonicContact OE2-NH2 3.21Å; E117-R120 PolarHBondContact OE2-NH2 2.73Å; E117-V121 WeakPolarHBondContact O-CG2 3.44Å; E117-V121 PolarHBondContact O-N 2.75Å
118V82.6Confident73.5Confident58 Ų5899.8 Ų99.835%0.35256%0.558SS.*Hα-helixtrans-62.3-40.9174.2170.80000111.1F114 V121 L122F114-V118 HydrophobicContact CD1-CG2 4.22Å; F114-V118 HydrophobicContact CD2-CG2 4.17Å; F114-V118 HydrophobicContact CE1-CG2 3.82Å; F114-V118 HydrophobicContact CE2-CG2 3.76Å; F114-V118 HydrophobicContact CG-CG2 4.39Å; F114-V118 HydrophobicContact CZ-CG2 3.57Å; F114-V118 WeakPolarHBondContact O-CB 3.21Å; F114-V118 WeakPolarHBondContact O-CG2 3.42Å; F114-V118 PolarHBondContact O-N 2.84Å; V118-V121 PolarHBondContact O-N 2.7Å; V118-L122 HydrophobicContact CG1-CD1 3.75Å; V118-L122 HydrophobicContact CG1-CG 4.33Å; V118-L122 WeakPolarHBondContact O-CB 3.43Å; V118-L122 VanDerWaalsContact O-CG 3.24Å; V118-L122 WeakPolarHBondContact O-CG 3.36Å; V118-L122 PolarHBondContact O-N 2.72Å
119R84.5Confident70.8Confident140 Ų140109.6 Ų109.653%0.52859%0.585SS.*Hα-helixtrans-60.5-45.1172.7-78.4177.1-83.5129.5-10.4111.2G115 E116 E117 L122 V123G115-R119 WeakPolarHBondContact O-CG 3.4Å; G115-R119 PolarHBondContact O-N 3.46Å; G115-R119 PolarHBondContact O-NE 3.05Å; G115-R119 PolarHBondContact O-NH2 2.87Å; E116-R119 WeakPolarHBondContact O-CB 3.27Å; E116-R119 PolarHBondContact O-N 3.03Å; E116-R119 IonicContact OE1-CZ 2.72Å; E116-R119 IonicContact OE1-NH1 3.15Å; E116-R119 PolarHBondContact OE1-NH1 2.88Å; E116-R119 IonicContact OE1-NH2 3.83Å; E116-R119 PolarHBondContact OE1-NH2 3.46Å; E117-R119 VanDerWaalsContact C-N 3.33Å; E117-R119 PolarHBondContact O-N 3.11Å; R119-L122 PolarHBondContact O-N 3.07Å; R119-V123 WeakPolarHBondContact O-CG2 3.35Å; R119-V123 PolarHBondContact O-N 3.46Å; R119-V123 VanDerWaalsContact O-N 3.09Å
120R82.1Confident68Low166 Ų166109.6 Ų109.663%0.62660%0.602SS**Hα-helixtrans-61.5-45.1179.2-167.317274.4100.6-0.2112.4E116 E117 A124E116-R120 PolarHBondContact O-N 2.71Å; E117-R120 WeakPolarHBondContact O-CB 3.44Å; E117-R120 PolarHBondContact O-N 2.7Å; E117-R120 IonicContact OE1-CZ 2.7Å; E117-R120 IonicContact OE1-NE 2.73Å; E117-R120 IonicContact OE1-NH2 3.59Å; E117-R120 PolarHBondContact OE1-NH2 2.85Å; E117-R120 IonicContact OE2-CZ 2.71Å; E117-R120 IonicContact OE2-NE 2.85Å; E117-R120 PolarHBondContact OE2-NE 2.84Å; E117-R120 IonicContact OE2-NH2 3.21Å; E117-R120 PolarHBondContact OE2-NH2 2.73Å; R120-A124 PolarHBondContact O-N 3.42Å
121V76Confident64.9Low87 Ų87109.8 Ų109.853%0.52762%0.621SS.*Hα-helixtrans-69.6-40179.3172.10000112.1E117 V118 A124E117-V121 WeakPolarHBondContact O-CG2 3.44Å; E117-V121 PolarHBondContact O-N 2.75Å; V118-V121 PolarHBondContact O-N 2.7Å; V121-A124 PolarHBondContact O-N 2.95Å
122L73.1Confident62.3Low132 Ų132109.3 Ų109.369%0.69163%0.634SS**Hα-helixtrans-67.5-37.1178-72.1171.6000112.7V118 R119 A124 G125V118-L122 HydrophobicContact CG1-CD1 3.75Å; V118-L122 HydrophobicContact CG1-CG 4.33Å; V118-L122 WeakPolarHBondContact O-CB 3.43Å; V118-L122 VanDerWaalsContact O-CG 3.24Å; V118-L122 WeakPolarHBondContact O-CG 3.36Å; V118-L122 PolarHBondContact O-N 2.72Å; R119-L122 PolarHBondContact O-N 3.07Å; L122-A124 PolarHBondContact O-N 2.65Å; L122-G125 PolarHBondContact O-N 3.41Å
123V63.7Low59.9Low132 Ų132110.4 Ų110.480%0.864%0.644SS**Hα-helixtrans-68.4-24.2174.1171.80000112R119 G125R119-V123 WeakPolarHBondContact O-CG2 3.35Å; R119-V123 PolarHBondContact O-N 3.46Å; R119-V123 VanDerWaalsContact O-N 3.09Å; V123-G125 PolarHBondContact O-N 3.31Å
124A51.3Low57.5Low82 Ų82117.3 Ų117.368%0.67866%0.66SS**THydrogen-bonded Turntrans-82.314.4173.100000114.4R120 V121 L122R120-A124 PolarHBondContact O-N 3.42Å; V121-A124 PolarHBondContact O-N 2.95Å; L122-A124 PolarHBondContact O-N 2.65Å
125G37.5Very low54.6Low42 Ų42116.4 Ų116.443%0.43367%0.673SS.*  trans-57.9152.7-177.800000115.2L122 V123L122-G125 PolarHBondContact O-N 3.41Å; V123-G125 PolarHBondContact O-N 3.31Å
126P44.3Very low52.2Low115 Ų115123.1 Ų123.175%0.74770%0.697SS**  trans-71.1134.3-167.327.9-35.6000113.7T128P126-T128 PolarHBondContact O-N 3.21Å
127T37.7Very low49.5Very low140 Ų140122 Ų12286%0.85971%0.707SS**  trans-76.382.9174.7370000111.9R129T127-R129 PolarHBondContact O-N 3.08Å
128T34Very low46.8Very low132 Ų132126.7 Ų126.781%0.8173%0.731SS**  trans-64.1100.4174.639.30000111.7P126 G130P126-T128 PolarHBondContact O-N 3.21Å; T128-G130 PolarHBondContact O-N 3.31Å
129R35.3Very low44.5Very low254 Ų254131 Ų13196%0.95875%0.747SS**  trans-86.693.3-174.9-171-176.7-175168.73.4112.7T127T127-R129 PolarHBondContact O-N 3.08Å
130G30.6Very low42.1Very low72 Ų72130.4 Ų130.474%0.74276%0.761SS**  trans127.7111.3140.500000118T128T128-G130 PolarHBondContact O-N 3.31Å
131A29.5Very low39.5Very low100 Ų100129.5 Ų129.583%0.82676%0.764SS**  trans-151.9124.1131.600000108
132A35.6Very low37.9Very low107 Ų107130.9 Ų130.988%0.88478%0.775SS**  trans-109.5108.7172.400000108.5
133V32.6Very low35.8Very low136 Ų136128.1 Ų128.182%0.82477%0.771SS**  trans-126.2129.9166.3-178.80000107.5
134R36.6Very low34.1Very low240 Ų240128.3 Ų128.391%0.90677%0.768SS**  trans-110.8118.6176.3-171.3-177.9-170.5170.82.7106.3
135A29.5Very low33.1Very low93 Ų93130.3 Ų130.377%0.76977%0.772SS**  trans-125.3142.5178.400000109.6
136E29.7Very low32.7Very low172 Ų172133.5 Ų133.580%0.80479%0.788SS**  trans-97.8153.2179.1-82-76.1157.200110.8
137A27.8Very low31.9Very low90 Ų90132.2 Ų132.274%0.74479%0.786SS**  trans65.6160.614900000122
138M28.2Very low31.6Very low170 Ų170133.2 Ų133.284%0.83779%0.786SS**  trans89.1102.1159.9-139.870.1-170.100119.7
139E35.7Very low31.3Very low150 Ų150136.4 Ų136.470%0.70179%0.788SS**  trans-7150.2141-53.2-649500118.3
140P32.7Very low30.9Very low126 Ų126129 Ų12982%0.81878%0.781SS**  -140.8123.411135.7-22.8000116.3
141E28.4Very low30.8Very low147 Ų147130.1 Ų130.169%0.68778%0.784SS**  trans-74.7157.2142.2-93.6-71.1132.200108.7A143E141-A143 PolarHBondContact OE2-N 3.47Å
142P41.3Very low31.7Very low116 Ų116130.8 Ų130.875%0.75378%0.78SS**  -149.2147.754.539.5-18.7000120
143A29.7Very low31.3Very low74 Ų74137.2 Ų137.261%0.61278%0.783SS**  trans64163.3136.600000119.7E141E141-A143 PolarHBondContact OE2-N 3.47Å
144D28.4Very low31.1Very low136 Ų136133.8 Ų133.873%0.72777%0.774SS**  cis-154.8155.111.5-149.7-17.1000113.5
145T29.3Very low30.7Very low124 Ų124131.4 Ų131.476%0.76177%0.773SS**  trans61.2147.4165.866.10000120
146S30.1Very low30.7Very low110 Ų110130.7 Ų130.777%0.76976%0.763SS**  cis-154.7150-4.6490000113.4
147A27.8Very low30.9Very low87 Ų87133 Ų13372%0.71976%0.764SS**  trans33.5134.5151.900000121.1
148L31.3Very low31Very low162 Ų162132.6 Ų132.685%0.84876%0.755SS**  -162.2120.263-86.7166000115
149K27.8Very low31.4Very low199 Ų199128.8 Ų128.887%0.86575%0.746SS**  trans49.3129.7131-148.5178.6-176.4178.10122.8
150A27.1Very low31.2Very low98 Ų98129.2 Ų129.281%0.8175%0.748SS**  trans96.2115.8148.800000121.2
151A27.4Very low31.3Very low96 Ų96129.5 Ų129.579%0.79374%0.743SS**  trans-131.8-174.3148.500000106.2
152P48.8Very low31.5Very low114 Ų114128.6 Ų128.674%0.7475%0.747SS**  cis-133.2179.9-4.743.4-27.7000114.4
153Y28.1Very low31Very low242 Ų242127.6 Ų127.695%0.94974%0.742SS**  trans166.5142.1152.4-102.2-72000107.6
154G27.6Very low31.2Very low63 Ų63129.9 Ų129.965%0.64975%0.749SS**  cis-138.4172.3-19.500000107.8
155H29.3Very low31.3Very low190 Ų190131.8 Ų131.888%0.8875%0.753SS**  45.3128.361.6-92.867.2000114.3
156S29.3Very low31.3Very low79 Ų79129.8 Ų129.855%0.55275%0.749SS**  cis-174.2154.4-7.3-144.50000111.6
157R33Very low31.3Very low221 Ų221128.5 Ų128.583%0.83475%0.745SS**  trans62.6166.2147.6-76.9176.9169.3-92.5-1.5119.3
158S30.8Very low31.4Very low80 Ų80131.4 Ų131.456%0.55975%0.754SS**  cis-174.2-173.6-25.6-1670000110.8
159S35.6Very low31.5Very low91 Ų91133.5 Ų133.564%0.63676%0.756SS**  trans84.8151.3148.2-51.20000120
160E31.7Very low31.6Very low159 Ų159128.9 Ų128.974%0.74376%0.756SS**  cis179.7160.2-25.5-10313961.600106.4
161D34.9Very low31.8Very low132 Ų132136.1 Ų136.171%0.70676%0.762SS**  cis-166.2-122.8-18.4-179.2-103000106.8S163D161-S163 PolarHBondContact OD1-OG 3.31Å
162V31.4Very low31.9Very low128 Ų128138.5 Ų138.578%0.77677%0.766SS**  trans71.288.2172.6-169.50000115.4
163S32.6Very low31.2Very low94 Ų94144.6 Ų144.666%0.65777%0.774SS**  74.4135.365.4-73.10000114.7D161D161-S163 PolarHBondContact OD1-OG 3.31Å
164T32.6Very low31.4Very low123 Ų123143.3 Ų143.376%0.75577%0.774SS**  cis-131.8-170.7457.60000109.2
165H32.1Very low31.6Very low176 Ų176143.3 Ų143.382%0.81577%0.774SS**  cis-156.5-167.85.8-146.831.6000107.5
166A27.9Very low31.6Very low81 Ų81144.9 Ų144.967%0.66978%0.778SS**  cis-148.5-121.24.100000110.5
167A29.6Very low31.7Very low84 Ų84145.9 Ų145.969%0.69479%0.785SS**  trans-149.5158.3171.900000109.8
168T31.3Very low31.8Very low147 Ų147143.6 Ų143.690%0.90279%0.789SS**  -138.3171.773.347.30000114.1
169K33.5Very low32.3Very low206 Ų206151 Ų15190%0.89680%0.804SS**  trans-113.1141.9-169.2-59.1169.8-178.7170.80112.7
170A28.6Very low31.9Very low103 Ų103153.8 Ų153.885%0.85181%0.812SS**  trans-155.5135.714800000112.2
171R32.8Very low31.7Very low250 Ų250153.4 Ų153.494%0.94381%0.813SS**  trans-127.3117.4167.1-82.3-177.9172.1178-2.8108.4
172V28.7Very low31.4Very low145 Ų145150.9 Ų150.988%0.87981%0.805SS**  trans-138.8138164.1-176.20000111.7
173R33.3Very low31.4Very low242 Ų242152.7 Ų152.791%0.91381%0.81SS**  trans-45136.2177-59.9158.1173.9164.1-4.4113.9
174K32.9Very low31.1Very low216 Ų216153.8 Ų153.894%0.93982%0.816SS**  trans-87.7108.2164-167.1169.3-175.2174.90109.4
175G31.2Very low31.1Very low63 Ų63154.3 Ų154.365%0.64982%0.819SS**  trans-84.1162.9177.700000113.3
176F29.4Very low31.1Very low222 Ų222152.3 Ų152.397%0.97482%0.819SS**  trans-63140.9169.4-76.1-104.6000110.9
177S32.2Very low31.3Very low100 Ų100156.2 Ų156.270%0.69983%0.828SS**  trans-148102.1167.2-173.10000110.3
178L35.1Very low31.2Very low174 Ų174155.7 Ų155.791%0.91183%0.83SS**  trans-80.3112168.1-74.3168.5000108.8
179R41.3Very low31.3Very low234 Ų234155.5 Ų155.588%0.88383%0.829SS**  trans-136.6103.9161.3-71.1-166.7177.9-177.4-0.5109.8
180N27.1Very low31.4Very low151 Ų151155.2 Ų155.281%0.80782%0.822SS**  trans-93.5160.1168.5-167.38.3000109.5
181M28.3Very low31.5Very low151 Ų151157.4 Ų157.474%0.74482%0.82SS**  trans75.9105165-55-153.373.900119.6
182S28.8Very low31.5Very low78 Ų78152.2 Ų152.255%0.54581%0.808SS.*  61115.8113.6175.30000120.4
183L29.5Very low31.6Very low167 Ų167154.6 Ų154.687%0.87480%0.801SS**  trans-135.8129.8136.8-81.1-178.6000111.3
184C27.2Very low31.4Very low117 Ų117152.8 Ų152.879%0.79180%0.802SS**  trans-134.5109.6158.6-540000107.7
185V32.7Very low31.2Very low134 Ų134152.6 Ų152.681%0.81280%0.796SS**  trans-145.2142.4164.8-178.40000107.1
186V32.1Very low30.9Very low134 Ų134161.1 Ų161.181%0.81281%0.808SS**  trans-104.2150.2172.6171.60000108.8
187D31.3Very low30.7Very low163 Ų163155.7 Ų155.787%0.87280%0.798SS**  trans-46.4149.2-172.3-76.9-82.2000117.5
188G28.5Very low30.4Very low72 Ų72156.6 Ų156.674%0.74281%0.805SS**  trans-138.287.8170.700000111.6
189V32.2Very low30.6Very low143 Ų143154.2 Ų154.287%0.86780%0.799SS**  trans34.2117159.3-176.30000119.4
190R36.2Very low30.1Very low201 Ų201150.6 Ų150.676%0.75879%0.792SS**  trans-43.5130.6160.3170.2-168.977.4-159.31.6114.2
191D31.3Very low30.8Very low149 Ų149149.5 Ų149.580%0.79779%0.794SS**  -153.5167.8121.2-115.3-36.3000115.5
192M32.4Very low30.8Very low140 Ų140149.2 Ų149.269%0.6980%0.795SS**  trans-120.5139.9-151.7-108.5171.455.500115.1
193W31.1Very low31Very low195 Ų195150 Ų15074%0.73981%0.807SS**  trans32.3123.7162.5-50.994.3000119.9
194H28.8Very low31Very low204 Ų204146 Ų14694%0.94481%0.805SS**  -149.3144.2125-101.3-71.2000111.4
195R27.9Very low31.2Very low212 Ų212145.7 Ų145.780%0.881%0.811SS**  trans-135.8109.2-175.5179.6-129.3-65.2-110.74.4110.7
196R26.4Very low31.1Very low242 Ų242144.6 Ų144.691%0.91381%0.81SS**  trans177.7149.9141.8-179.1163.8-78.4-114.73.9110.7
197S23.9Very low31.5Very low108 Ų108143.3 Ų143.376%0.75580%0.804SS**  trans-102.2156.8-179.750.60000113.4
198S25.8Very low31.3Very low120 Ų120147 Ų14784%0.83981%0.806SS**  trans-165.3167.8162.1-113.60000108.1
199P40.2Very low31.3Very low123 Ų123148.3 Ų148.380%0.79981%0.809SS**  cis-127.7-172.713.742.8-27000116.1
200E30.8Very low31.3Very low158 Ų158146.1 Ų146.174%0.73881%0.806SS**  trans-70.9176.2174-128.9-177.6100.400113.6
201P40.8Very low30.9Very low129 Ų129144.8 Ų144.884%0.83881%0.808SS**  -144.5-172.763.939.9-18.6000117.6
202D30Very low31.5Very low145 Ų145142.9 Ų142.978%0.77580%0.804SS**  trans-98.2-174.5-156.7-17020.6000116.1
203A32.4Very low31Very low95 Ų95141.9 Ų141.979%0.78581%0.811SS**  trans93.4136.3162.400000118.7
204G29.6Very low30.8Very low82 Ų82136.7 Ų136.785%0.84581%0.81SS**  trans-158.5131.2174.200000114.4
205A31.7Very low31.1Very low110 Ų110135.7 Ų135.791%0.90981%0.805SS**  trans-155.6155162.500000108.8
206S30.2Very low31.1Very low112 Ų112130.9 Ų130.978%0.78380%0.802SS**  trans-113.4-174-169.579.10000112
207P40.1Very low31.4Very low106 Ų106130.6 Ų130.669%0.68880%0.801SS**  cis-137157.3-12.636-19.6000115.3
208R27.9Very low31.5Very low242 Ų242131.6 Ų131.691%0.91380%0.797SS**  159.4139.5129.5-94.2177.9166.2-169.1-4114.1
209A28.6Very low31.6Very low98 Ų98131.8 Ų131.881%0.8178%0.783SS**  trans59.8141.5148.400000120.6
210A31.9Very low30.9Very low97 Ų97136.1 Ų136.180%0.80278%0.784SS**  trans70.4117.6177.400000117.3
211E26.2Very low31.4Very low174 Ų174135 Ų13581%0.81379%0.788SS**  trans18.7151.1137.6-55.1-57.6106.300121.2
212P44Very low30.8Very low108 Ų108140 Ų14070%0.70179%0.79SS**  cis-141.1171.9-34.639.2-23.6000113.2
213S22.9Very low31.5Very low120 Ų120144.3 Ų144.384%0.83980%0.795SS**  trans-172.5154.1147.244.80000115.2
214A27.2Very low31.1Very low86 Ų86147.1 Ų147.171%0.71180%0.796SS**  trans4996.5151.300000121
215E34.5Very low31.8Very low183 Ų183154.8 Ų154.886%0.85580%0.8SS**  62.4155.6113.4-70.7-131.4119.600121.3
216P27.1Very low31.6Very low111 Ų111157 Ų15772%0.72180%0.796SS**  cis-134.2173.51943.5-28000117.6
217R33.5Very low31.6Very low236 Ų236156.6 Ų156.689%0.89179%0.792SS**  trans70.257.8148.5-157.1178.7-176.1149.61.5117.3
218D25.9Very low31.1Very low128 Ų128162.2 Ų162.268%0.68480%0.8SS**  trans-119.4153.1162.3-94.9-22.8000108.5
219K28.1Very low31.1Very low125 Ų125156.3 Ų156.354%0.54379%0.791SS.*  cis-155.9165-5.4-145.9162.5-79.2175.10109.1
220W26.7Very low31.3Very low214 Ų214158.5 Ų158.581%0.81179%0.788SS**  trans48.6121.8157-60.5-43000122.4R222W220-R222 PolarHBondContact O-N 3.49Å; W220-R222 VanDerWaalsContact O-N 3.15Å
221T40.6Very low31.4Very low135 Ų135158.4 Ų158.483%0.82879%0.788SS**  -23.2107126.850.60000115.8
222R28.8Very low31.9Very low234 Ų234153.4 Ų153.488%0.88378%0.776SS**  trans-141.6140146.2-168.4163.5-71.3-133.71.9110.6W220 L224W220-R222 PolarHBondContact O-N 3.49Å; W220-R222 VanDerWaalsContact O-N 3.15Å; R222-L224 PolarHBondContact O-N 2.91Å
223R42.8Very low31.6Very low234 Ų234156 Ų15688%0.88378%0.776SS**  trans-71.5117.8-178.6-52.6170.1-152.8-97.3-1108.9
224L25.8Very low32.7Very low154 Ų154153.8 Ų153.881%0.80676%0.757SS**  trans-100108.9152.5-73177.1000108R222 L226R222-L224 PolarHBondContact O-N 2.91Å; L224-L226 PolarHBondContact O-N 2.85Å
225R43.6Very low33.5Very low243 Ų243154.1 Ų154.192%0.91774%0.744SS**  trans-70.688.8160-78.2177.1169.8157.9-6.3106.7S227R225-S227 PolarHBondContact O-N 3.43Å
226L28.4Very low34.3Very low158 Ų158152.9 Ų152.983%0.82774%0.742SS**  trans-74.4110.9161.2-74.8174.2000107.2L224 R228L224-L226 PolarHBondContact O-N 2.85Å; L226-R228 PolarHBondContact O-N 2.89Å
227S28.4Very low35.5Very low102 Ų102152.9 Ų152.971%0.71374%0.74SS**  trans-53.9123179.5-56.60000109.6R225 T229R225-S227 PolarHBondContact O-N 3.43Å; S227-T229 PolarHBondContact O-N 2.9Å
228R29.5Very low37.6Very low225 Ų225143 Ų14385%0.84971%0.705SS**  trans-71.281.3161.5-168.3-174.179.8-166.36.4107.2L226 L230L226-R228 PolarHBondContact O-N 2.89Å; R228-L230 PolarHBondContact O-N 2.92Å
229T29.4Very low40.3Very low118 Ų118139.4 Ų139.472%0.72469%0.685SS**  trans-46.2135.2162.635.60000107.6S227 A231S227-T229 PolarHBondContact O-N 2.9Å; T229-A231 VanDerWaalsContact C-N 3.31Å; T229-A231 PolarHBondContact O-N 2.65Å
230L32.7Very low43Very low144 Ų144139 Ų13975%0.75469%0.685SS**  trans-66.3101.8170.4-83.372.4000106.3R228 A232R228-L230 PolarHBondContact O-N 2.92Å; L230-A232 VanDerWaalsContact C-N 3.26Å; L230-A232 PolarHBondContact O-N 2.87Å
231A33.8Very low46.2Very low95 Ų95130.6 Ų130.679%0.78565%0.653SS**  trans-51.5109.7137.700000104.5T229 K233T229-A231 VanDerWaalsContact C-N 3.31Å; T229-A231 PolarHBondContact O-N 2.65Å; A231-K233 PolarHBondContact O-N 2.83Å
232A37.3Very low48.7Very low68 Ų68128.3 Ų128.356%0.56263%0.633SS**  trans-52.7136.8-169.900000108.9L230 V234L230-A232 VanDerWaalsContact C-N 3.26Å; L230-A232 PolarHBondContact O-N 2.87Å; A232-V234 PolarHBondContact O-N 2.98Å
233K37.3Very low51.8Low164 Ų164118.1 Ų118.171%0.71360%0.601SS**  trans-69.780.6170174.2175164.8-82.90106A231 E235A231-K233 PolarHBondContact O-N 2.83Å; K233-E235 IonicContact NZ-OE1 2.55Å; K233-E235 PolarHBondContact NZ-OE1 3.42Å; K233-E235 PolarHBondContact O-N 3.45Å
234V45.9Very low54.2Low73 Ų73110.5 Ų110.544%0.44259%0.588SS.*  trans-56106.8176.2177.40000105.8A232 I239A232-V234 PolarHBondContact O-N 2.98Å; V234-I239 HydrophobicContact CG1-CG1 4.37Å
235E43.3Very low57.6Low93 Ų93103.8 Ų103.844%0.43555%0.553SS.*  trans-73.6146.3-177.9-157.7113-96.800107.1K233 V237 D238K233-E235 IonicContact NZ-OE1 2.55Å; K233-E235 PolarHBondContact NZ-OE1 3.42Å; K233-E235 PolarHBondContact O-N 3.45Å; E235-V237 HydrophobicContact CB-CB 4.46Å; E235-V237 HydrophobicContact CG-CB 4.27Å; E235-V237 HydrophobicContact CG-CG2 3.98Å; E235-V237 PolarHBondContact O-N 3.31Å; E235-D238 PolarHBondContact O-N 2.9Å
236L52.5Low60Low156 Ų15696.1 Ų96.182%0.81752%0.524SS*.G310 helixtrans-59.4-18.3179.2-122.978.6000112.6D238L236-D238 VanDerWaalsContact C-N 3.29Å; L236-D238 PolarHBondContact O-N 2.84Å
237V52Low63.2Low112 Ų11288.7 Ų88.768%0.67949%0.485SS*.G310 helixtrans-69.5-18.7176.1-173.60000113.2E235E235-V237 HydrophobicContact CB-CB 4.46Å; E235-V237 HydrophobicContact CG-CB 4.27Å; E235-V237 HydrophobicContact CG-CG2 3.98Å; E235-V237 PolarHBondContact O-N 3.31Å
238D76.1Confident66.2Low29 Ų2984.5 Ų84.516%0.15545%0.454CS..G310 helixtrans-91.8-6.4179.1-69.7-46000113.8E235 L236 R271 R272E235-D238 PolarHBondContact O-N 2.9Å; L236-D238 VanDerWaalsContact C-N 3.29Å; L236-D238 PolarHBondContact O-N 2.84Å; D238-R271 CarbonylContact O-C 3.6Å; D238-R271 VanDerWaalsContact O-CA 3.28Å; D238-R271 WeakPolarHBondContact O-CA 3.44Å; D238-R271 WeakPolarHBondContact O-CB 3.43Å; D238-R272 HydrophobicContact CB-CB 4.23Å; D238-R272 PolarHBondContact O-N 3.48Å; D238-R272 IonicContact OD1-CZ 3.2Å; D238-R272 IonicContact OD1-NE 2.84Å; D238-R272 PolarHBondContact OD1-NE 3.46Å; D238-R272 IonicContact OD1-NH2 2.72Å; D238-R272 PolarHBondContact OD1-NH2 2.95Å
239I83.4Confident69.2Low52 Ų5276.5 Ų76.527%0.26743%0.43SS..EExtended strand (participates in β ladder)trans-94.9114.3-178.1-60.2175.7000109.4V234 L269V234-I239 HydrophobicContact CG1-CG1 4.37Å; I239-L269 HydrophobicContact CB-CD1 4.46Å; I239-L269 HydrophobicContact CD1-CD1 4.21Å; I239-L269 HydrophobicContact CG1-CD1 4.15Å; I239-L269 HydrophobicContact CG2-CD1 3.58Å
240Q85.4Confident71.7Confident115 Ų11572.7 Ų72.754%0.53741%0.411SS..EExtended strand (participates in β ladder)trans-79.2-43.8173.1-65.1-7331.800110.9L270 F279Q240-L270 HydrophobicContact CB-CD2 4.1Å; Q240-L270 HydrophobicContact CB-CG 4.07Å; Q240-L270 PolarHBondContact N-O 2.82Å; Q240-F279 HydrophobicContact CG-CD1 4.23Å; Q240-F279 HydrophobicContact CG-CE1 3.66Å
241R93.3Very high73.7Confident38 Ų3872 Ų7214%0.14341%0.408CS..EExtended strand (participates in β ladder)trans-154.4139.1-177.1-144.4-172.7-163.1-72.93112.6L270 S341 W342 D345R241-L270 HydrophobicContact CB-CB 4.16Å; R241-L270 PolarHBondContact N-O 2.81Å; R241-L270 VanDerWaalsContact N-O 3.08Å; R241-L270 PolarHBondContact O-N 2.92Å; R241-S341 PolarHBondContact NH2-OG 3.42Å; R241-W342 HydrophobicContact CB-CH2 4.03Å; R241-W342 HydrophobicContact CB-CZ3 3.97Å; R241-W342 HydrophobicContact CG-CH2 4.04Å; R241-W342 HydrophobicContact CG-CZ2 4.3Å; R241-W342 HydrophobicContact CG-CZ3 4.17Å; R241-W342 VanDerWaalsContact NH1-CE2 3.26Å; R241-W342 VanDerWaalsContact NH1-NE1 3.2Å; R241-D345 VanDerWaalsContact CD-OD2 3.28Å; R241-D345 WeakPolarHBondContact CD-OD2 3.12Å; R241-D345 IonicContact CZ-OD2 2.75Å; R241-D345 IonicContact NE-OD2 2.8Å; R241-D345 PolarHBondContact NE-OD2 3.19Å; R241-D345 IonicContact NH2-OD2 2.93Å
242E94Very high74.7Confident88 Ų8875.6 Ų75.641%0.41141%0.414SS..EExtended strand (participates in β ladder)trans-130.8147.5167.9-163.8-178.8127.800110R267 L268 L269E242-R267 HydrophobicContact CG-CG 4.09Å; E242-R267 WeakPolarHBondContact OE1-CD 3.35Å; E242-R267 IonicContact OE1-CZ 3.53Å; E242-R267 IonicContact OE1-NE 3.16Å; E242-R267 IonicContact OE1-NH1 3.65Å; E242-R267 PolarHBondContact OE1-NH1 2.8Å; E242-R267 IonicContact OE2-NH1 3.61Å; E242-R267 PolarHBondContact OE2-NH1 2.88Å; E242-R267 VanDerWaalsContact OE2-NH1 3.16Å; E242-L268 CarbonylContact C-O 3.52Å; E242-L268 WeakPolarHBondContact CA-O 3.25Å; E242-L269 HydrophobicContact CB-CD1 3.97Å; E242-L269 HydrophobicContact CG-CD1 3.99Å
243G92.3Very high75.2Confident20 Ų2076 Ų7621%0.20642%0.417CS..EExtended strand (participates in β ladder)trans-172.6157.4171.300000114.4R267 L268G243-R267 CarbonylContact O-C 3.54Å; G243-R267 WeakPolarHBondContact O-CA 3.42Å; G243-L268 PolarHBondContact N-O 2.94Å; G243-L268 PolarHBondContact O-N 3.49Å
244A94.4Very high75.2Confident73 Ų7372.5 Ų72.560%0.60342%0.419SS*.EExtended strand (participates in β ladder)trans-85.3129.7172.500000110.3C266A244-C266 WeakPolarHBondContact CA-O 3.41Å
245L95.9Very high75.2Confident14 Ų1474.7 Ų74.77%0.07345%0.445CS..EExtended strand (participates in β ladder)trans-137.8173.7-175.8-64.9-179.6000110.8C266 L268 L331 T333 W342L245-C266 PolarHBondContact N-O 2.75Å; L245-C266 PolarHBondContact O-N 3.06Å; L245-L268 HydrophobicContact CD1-CB 3.83Å; L245-L268 HydrophobicContact CD1-CD2 3.53Å; L245-L268 HydrophobicContact CD1-CG 4.33Å; L245-L268 HydrophobicContact CG-CB 4.48Å; L245-L331 HydrophobicContact CD1-CD2 4.03Å; L245-T333 HydrophobicContact CD2-CG2 3.75Å; L245-W342 HydrophobicContact CD1-CD2 4.36Å; L245-W342 HydrophobicContact CD1-CZ2 4.19Å
246R94.6Very high75Confident81 Ų8173.1 Ų73.131%0.30645%0.454SS..EExtended strand (participates in β ladder)trans-111.3148159.2-70173.372.3-13516.4108.7W263 Q264 K265 L331 E332R246-W263 HydrophobicContact CB-CE3 3.88Å; R246-W263 HydrophobicContact CB-CZ3 4.49Å; R246-W263 VanDerWaalsContact CZ-CB 3.46Å; R246-Q264 CarbonylContact C-O 3.57Å; R246-Q264 VanDerWaalsContact CA-O 3.32Å; R246-Q264 WeakPolarHBondContact CA-O 3.44Å; R246-K265 HydrophobicContact CG-CG 3.91Å; R246-L331 WeakPolarHBondContact O-CA 3.42Å; R246-E332 HydrophobicContact CB-CB 4.23Å; R246-E332 WeakPolarHBondContact CB-OE2 3.24Å; R246-E332 VanDerWaalsContact CD-OE2 3.25Å; R246-E332 WeakPolarHBondContact CD-OE2 3.38Å; R246-E332 IonicContact CZ-OE2 3.87Å; R246-E332 PolarHBondContact N-O 2.79Å; R246-E332 VanDerWaalsContact N-O 3.14Å; R246-E332 IonicContact NE-OE2 2.74Å; R246-E332 IonicContact NH1-OE1 3.9Å; R246-E332 PolarHBondContact NH1-OE1 3.09Å; R246-E332 IonicContact NH1-OE2 3.23Å; R246-E332 PolarHBondContact NH1-OE2 2.92Å; R246-E332 PolarHBondContact O-N 3.18Å
247F94.9Very high74.8Confident3 Ų372 Ų721%0.01346%0.459CS..EExtended strand (participates in β ladder)trans-143.5159.917383.9-69.9000111.1V249 W263 Q264 C266 F283 V285 Y329 I330 L331F247-V249 HydrophobicContact CE2-CG2 4.36Å; F247-W263 CarbonylContact O-C 3.53Å; F247-W263 WeakPolarHBondContact O-CA 3.35Å; F247-Q264 HydrophobicContact CD1-CB 4.01Å; F247-Q264 WeakPolarHBondContact CD1-O 3.43Å; F247-Q264 HydrophobicContact CE1-CB 3.52Å; F247-Q264 HydrophobicContact CZ-CB 4.13Å; F247-Q264 PolarHBondContact N-O 3.06Å; F247-Q264 PolarHBondContact O-N 3.09Å; F247-C266 HydrophobicContact CD1-CB 3.72Å; F247-C266 HydrophobicContact CE1-CB 3.9Å; F247-F283 HydrophobicContact CB-CE1 4.28Å; F247-F283 HydrophobicContact CD1-CD1 4.16Å; F247-F283 HydrophobicContact CD2-CD1 4.02Å; F247-F283 AromaticContact CD2-CE1 3.97Å; F247-F283 HydrophobicContact CD2-CE1 3.97Å; F247-F283 HydrophobicContact CE1-CD1 4.37Å; F247-F283 HydrophobicContact CE2-CD1 4.22Å; F247-F283 AromaticContact CG-CD1 3.99Å; F247-F283 HydrophobicContact CG-CD1 3.99Å; F247-F283 HydrophobicContact CG-CE1 4.03Å; F247-F283 HydrophobicContact CZ-CD1 4.39Å; F247-V285 HydrophobicContact CE1-CG2 3.54Å; F247-V285 HydrophobicContact CZ-CG2 3.95Å; F247-Y329 HydrophobicContact CD2-CD1 4.04Å; F247-Y329 HydrophobicContact CE2-CD1 4.18Å; F247-Y329 HydrophobicContact CE2-CE1 4.48Å; F247-I330 CarbonylContact C-O 3.59Å; F247-I330 WeakPolarHBondContact CA-O 3.28Å; F247-L331 HydrophobicContact CB-CG 3.94Å
248M92.9Very high74.5Confident14 Ų1470.2 Ų70.27%0.06946%0.463CS..EExtended strand (participates in β ladder)trans-135.4161.4165.653.1173.63700108.9A261 W263 Y329 I330M248-A261 HydrophobicContact CE-CB 3.59Å; M248-A261 WeakPolarHBondContact CE-O 3.42Å; M248-A261 HydrophobicContact SD-CB 3.99Å; M248-W263 HydrophobicContact CB-CE3 4.45Å; M248-W263 HydrophobicContact CE-CD2 3.73Å; M248-W263 VanDerWaalsContact CE-CE2 3.45Å; M248-W263 HydrophobicContact CE-CE3 4.43Å; M248-W263 HydrophobicContact CE-CG 3.85Å; M248-W263 HydrophobicContact CE-CZ2 3.93Å; M248-W263 HydrophobicContact CG-CD2 4.41Å; M248-W263 HydrophobicContact CG-CE3 4.18Å; M248-W263 HydrophobicContact CG-CH2 4.13Å; M248-W263 HydrophobicContact CG-CZ2 4.36Å; M248-W263 HydrophobicContact CG-CZ3 4.04Å; M248-W263 HydrophobicContact SD-CH2 4.23Å; M248-W263 HydrophobicContact SD-CZ2 3.92Å; M248-Y329 WeakPolarHBondContact O-CA 3.2Å; M248-I330 HydrophobicContact CG-CB 3.83Å; M248-I330 HydrophobicContact CG-CG1 4.49Å; M248-I330 PolarHBondContact N-O 3.11Å; M248-I330 PolarHBondContact O-N 3.12Å; M248-I330 HydrophobicContact SD-CB 4.39Å; M248-I330 HydrophobicContact SD-CD1 4.24Å
249V91.3Very high73.2Confident57 Ų5772.7 Ų72.735%0.34550%0.495SS..EExtended strand (participates in β ladder)trans-97129.2164.8-176.60000106.1F247 D251 E328 Y329F247-V249 HydrophobicContact CE2-CG2 4.36Å; V249-D251 PolarHBondContact O-N 3.45Å; V249-E328 CarbonylContact C-O 3.36Å; V249-E328 WeakPolarHBondContact CA-O 3.36Å; V249-Y329 HydrophobicContact CG2-CD1 3.91Å; V249-Y329 HydrophobicContact CG2-CE1 3.79Å
250A83.5Confident71.7Confident38 Ų3875 Ų7531%0.31452%0.516SS..EExtended strand (participates in β ladder)trans-78.7110.8163.300000106.5E328 I330A250-E328 HydrophobicContact CB-CB 4.05Å; A250-E328 PolarHBondContact N-O 2.73Å; A250-I330 HydrophobicContact CB-CD1 4.32Å; A250-I330 HydrophobicContact CB-CG1 4.49Å
251D73.6Confident70.8Confident130 Ų13072.3 Ų72.370%0.69551%0.513SS*.  trans-100.5108.2-177.2-164.5-7.1000109.1V249 A253V249-D251 PolarHBondContact O-N 3.45Å; D251-A253 VanDerWaalsContact C-N 3.29Å; D251-A253 VanDerWaalsContact OD1-CB 3.24Å; D251-A253 WeakPolarHBondContact OD1-CB 3.2Å; D251-A253 PolarHBondContact OD1-N 3.47Å
252D55.2Low70.4Confident170 Ų17077.3 Ų77.391%0.90954%0.538SS*.  trans-87.9-2.5177.4-139.16.3000111.2A254D252-A254 PolarHBondContact O-N 2.88Å; D252-A254 VanDerWaalsContact O-N 3.11Å
253A47.7Very low70.2Confident75 Ų7575.5 Ų75.562%0.6253%0.528SS*.SBendtrans-85.786.9-175.800000112.7D251D251-A253 VanDerWaalsContact C-N 3.29Å; D251-A253 VanDerWaalsContact OD1-CB 3.24Å; D251-A253 WeakPolarHBondContact OD1-CB 3.2Å; D251-A253 PolarHBondContact OD1-N 3.47Å
254A36.3Very low70.3Confident91 Ų9176.9 Ų76.975%0.75253%0.529SS*.  trans78.2127.916600000117.9D252 G256D252-A254 PolarHBondContact O-N 2.88Å; D252-A254 VanDerWaalsContact O-N 3.11Å; A254-G256 VanDerWaalsContact C-N 3.26Å; A254-G256 PolarHBondContact O-N 2.84Å
255A46.9Very low70.3Confident120 Ų12080.5 Ų80.599%0.99253%0.531SS*.  trans-65.381.4164.500000111.1
256G39.6Very low70.3Confident60 Ų6079.9 Ų79.962%0.61953%0.528SS*.  trans-128.370.1-173.400000113.5A254A254-G256 VanDerWaalsContact C-N 3.26Å; A254-G256 PolarHBondContact O-N 2.84Å
257S47.4Very low70.4Confident132 Ų13279.2 Ų79.292%0.92353%0.525SS*.SBendtrans31.491.5166.2-157.80000118.1
258G46.3Very low70.5Confident75 Ų7579 Ų7977%0.77352%0.524SS*.  trans108.40.2156.100000117.6S260G258-S260 PolarHBondContact O-N 3.13Å
259G48.6Very low70.6Confident80 Ų8079 Ų7983%0.82552%0.524SS*.  trans-69.864.9172.300000113.9A261G259-A261 PolarHBondContact O-N 2.79Å
260S51.5Low70.8Confident100 Ų10076.2 Ų76.270%0.69951%0.508SS*.  trans-62.8126.4175.863.60000110.5G258 Q262G258-S260 PolarHBondContact O-N 3.13Å; S260-Q262 PolarHBondContact O-N 2.9Å
261A66.7Low71.2Confident59 Ų5976.4 Ų76.449%0.48850%0.5SS..  trans-56.4103.7-179.800000111M248 G259M248-A261 HydrophobicContact CE-CB 3.59Å; M248-A261 WeakPolarHBondContact CE-O 3.42Å; M248-A261 HydrophobicContact SD-CB 3.99Å; G259-A261 PolarHBondContact O-N 2.79Å
262Q83.8Confident71.8Confident143 Ų14375.6 Ų75.667%0.66849%0.488SS*.  trans-96.2111.8-171.2-169.9-174.8-2.600111.6S260 Q264S260-Q262 PolarHBondContact O-N 2.9Å; Q262-Q264 PolarHBondContact O-N 3.33Å; Q262-Q264 VanDerWaalsContact O-N 3.09Å
263W90.6Very high72.9Confident51 Ų5168.2 Ų68.219%0.19345%0.45CS..  trans-56.3109.6168.9-71.4104.7000112.3R246 F247 M248 M312 T318 I330 E332R246-W263 HydrophobicContact CB-CE3 3.88Å; R246-W263 HydrophobicContact CB-CZ3 4.49Å; R246-W263 VanDerWaalsContact CZ-CB 3.46Å; F247-W263 CarbonylContact O-C 3.53Å; F247-W263 WeakPolarHBondContact O-CA 3.35Å; M248-W263 HydrophobicContact CB-CE3 4.45Å; M248-W263 HydrophobicContact CE-CD2 3.73Å; M248-W263 VanDerWaalsContact CE-CE2 3.45Å; M248-W263 HydrophobicContact CE-CE3 4.43Å; M248-W263 HydrophobicContact CE-CG 3.85Å; M248-W263 HydrophobicContact CE-CZ2 3.93Å; M248-W263 HydrophobicContact CG-CD2 4.41Å; M248-W263 HydrophobicContact CG-CE3 4.18Å; M248-W263 HydrophobicContact CG-CH2 4.13Å; M248-W263 HydrophobicContact CG-CZ2 4.36Å; M248-W263 HydrophobicContact CG-CZ3 4.04Å; M248-W263 HydrophobicContact SD-CH2 4.23Å; M248-W263 HydrophobicContact SD-CZ2 3.92Å; W263-M312 HydrophobicContact CZ2-CE 3.89Å; W263-M312 HydrophobicContact CZ2-SD 4.4Å; W263-T318 HydrophobicContact CH2-CG2 4.01Å; W263-I330 HydrophobicContact CH2-CG2 4.05Å; W263-E332 HydrophobicContact CE3-CB 4.22Å; W263-E332 HydrophobicContact CH2-CB 3.79Å; W263-E332 HydrophobicContact CZ3-CB 3.51Å
264Q94.2Very high73.8Confident49 Ų4971 Ų7123%0.22946%0.459CS..EExtended strand (participates in β ladder)trans-96.7135.8173.2-73.6158.885.100110.1R246 F247 Q262 V285R246-Q264 CarbonylContact C-O 3.57Å; R246-Q264 VanDerWaalsContact CA-O 3.32Å; R246-Q264 WeakPolarHBondContact CA-O 3.44Å; F247-Q264 HydrophobicContact CD1-CB 4.01Å; F247-Q264 WeakPolarHBondContact CD1-O 3.43Å; F247-Q264 HydrophobicContact CE1-CB 3.52Å; F247-Q264 HydrophobicContact CZ-CB 4.13Å; F247-Q264 PolarHBondContact N-O 3.06Å; F247-Q264 PolarHBondContact O-N 3.09Å; Q262-Q264 PolarHBondContact O-N 3.33Å; Q262-Q264 VanDerWaalsContact O-N 3.09Å; Q264-V285 HydrophobicContact CB-CG1 4.35Å
265K93.9Very high75Confident149 Ų14970.1 Ų70.165%0.64845%0.452SS*.EExtended strand (participates in β ladder)trans-75.2127.4169.2-70.4-179.4177.9-177.20109.1R246 P287R246-K265 HydrophobicContact CG-CG 3.91Å; K265-P287 HydrophobicContact CB-CG 4.18Å; K265-P287 WeakPolarHBondContact O-CD 3.36Å
266C96.3Very high75.6Confident0 Ų074 Ų740%045%0.449CS..EExtended strand (participates in β ladder)trans-125.2163.3175.767.20000111.7A244 L245 F247 F284 V285A244-C266 WeakPolarHBondContact CA-O 3.41Å; L245-C266 PolarHBondContact N-O 2.75Å; L245-C266 PolarHBondContact O-N 3.06Å; F247-C266 HydrophobicContact CD1-CB 3.72Å; F247-C266 HydrophobicContact CE1-CB 3.9Å; C266-F284 CarbonylContact C-O 3.58Å; C266-F284 VanDerWaalsContact CA-O 3.27Å; C266-F284 WeakPolarHBondContact CA-O 3.37Å; C266-V285 HydrophobicContact CB-CG2 3.8Å
267R97Very high76.7Confident67 Ų6774 Ų7425%0.25343%0.433SS..EExtended strand (participates in β ladder)trans-107.9115.4157.2176.9173.775.8101.65.2105.9E242 G243 F284 P287E242-R267 HydrophobicContact CG-CG 4.09Å; E242-R267 WeakPolarHBondContact OE1-CD 3.35Å; E242-R267 IonicContact OE1-CZ 3.53Å; E242-R267 IonicContact OE1-NE 3.16Å; E242-R267 IonicContact OE1-NH1 3.65Å; E242-R267 PolarHBondContact OE1-NH1 2.8Å; E242-R267 IonicContact OE2-NH1 3.61Å; E242-R267 PolarHBondContact OE2-NH1 2.88Å; E242-R267 VanDerWaalsContact OE2-NH1 3.16Å; G243-R267 CarbonylContact O-C 3.54Å; G243-R267 WeakPolarHBondContact O-CA 3.42Å; R267-F284 HydrophobicContact CB-CB 4.16Å; R267-F284 PolarHBondContact N-O 2.99Å; R267-F284 PolarHBondContact O-N 3.5Å; R267-P287 HydrophobicContact CB-CB 3.91Å; R267-P287 WeakPolarHBondContact CD-O 3.43Å; R267-P287 PolarHBondContact NE-O 3.14Å
268L97.3Very high78Confident0 Ų074.1 Ų74.10%041%0.413CS..EExtended strand (participates in β ladder)trans-93.2132.6-179.6-168.168.9000108.8E242 G243 L245 L281 E282 F283 L331 W342E242-L268 CarbonylContact C-O 3.52Å; E242-L268 WeakPolarHBondContact CA-O 3.25Å; G243-L268 PolarHBondContact N-O 2.94Å; G243-L268 PolarHBondContact O-N 3.49Å; L245-L268 HydrophobicContact CD1-CB 3.83Å; L245-L268 HydrophobicContact CD1-CD2 3.53Å; L245-L268 HydrophobicContact CD1-CG 4.33Å; L245-L268 HydrophobicContact CG-CB 4.48Å; L268-L281 HydrophobicContact CD1-CD1 3.91Å; L268-L281 HydrophobicContact CD1-CD2 4.16Å; L268-L281 HydrophobicContact CD1-CG 3.76Å; L268-L281 HydrophobicContact CD2-CD1 4.03Å; L268-L281 HydrophobicContact CG-CD1 3.84Å; L268-L281 HydrophobicContact CG-CG 4.27Å; L268-E282 WeakPolarHBondContact CA-O 3.46Å; L268-F283 HydrophobicContact CD1-CD1 3.85Å; L268-F283 HydrophobicContact CD1-CD2 3.66Å; L268-F283 HydrophobicContact CD1-CE1 3.8Å; L268-F283 HydrophobicContact CD1-CE2 3.59Å; L268-F283 HydrophobicContact CD1-CG 3.78Å; L268-F283 HydrophobicContact CD1-CZ 3.67Å; L268-L331 HydrophobicContact CD1-CD2 4.43Å; L268-L331 HydrophobicContact CD2-CD2 3.62Å; L268-W342 HydrophobicContact CB-CH2 3.95Å; L268-W342 HydrophobicContact CB-CZ2 4.28Å; L268-W342 HydrophobicContact CB-CZ3 4.48Å; L268-W342 HydrophobicContact CD2-CD2 4.27Å; L268-W342 HydrophobicContact CD2-CE3 3.8Å; L268-W342 HydrophobicContact CD2-CH2 3.87Å; L268-W342 HydrophobicContact CD2-CZ2 4.3Å; L268-W342 HydrophobicContact CD2-CZ3 3.59Å; L268-W342 HydrophobicContact CG-CH2 3.98Å; L268-W342 HydrophobicContact CG-CZ3 4.01Å
269L96.1Very high80.1Confident12 Ų1272.2 Ų72.26%0.06338%0.384CS..EExtended strand (participates in β ladder)trans-128.2114.4-179.6177.665.3000109.2I239 E242 R271 L281 E282 F284I239-L269 HydrophobicContact CB-CD1 4.46Å; I239-L269 HydrophobicContact CD1-CD1 4.21Å; I239-L269 HydrophobicContact CG1-CD1 4.15Å; I239-L269 HydrophobicContact CG2-CD1 3.58Å; E242-L269 HydrophobicContact CB-CD1 3.97Å; E242-L269 HydrophobicContact CG-CD1 3.99Å; L269-R271 HydrophobicContact CD2-CG 4.47Å; L269-R271 HydrophobicContact CG-CB 4.35Å; L269-R271 HydrophobicContact CG-CG 4.35Å; L269-L281 WeakPolarHBondContact O-CA 3.43Å; L269-E282 HydrophobicContact CB-CB 4.3Å; L269-E282 PolarHBondContact N-O 3.04Å; L269-E282 PolarHBondContact O-N 2.74Å; L269-F284 HydrophobicContact CB-CD2 4.45Å; L269-F284 HydrophobicContact CB-CE2 3.99Å; L269-F284 HydrophobicContact CD2-CE2 3.83Å; L269-F284 HydrophobicContact CD2-CZ 4.27Å
270L95.2Very high82.3Confident0 Ų071.2 Ų71.20%036%0.355CS..EExtended strand (participates in β ladder)trans-96.1115.4167.9176.664.9000107.9Q240 R241 L281 L298 W342 D345 I346Q240-L270 HydrophobicContact CB-CD2 4.1Å; Q240-L270 HydrophobicContact CB-CG 4.07Å; Q240-L270 PolarHBondContact N-O 2.82Å; R241-L270 HydrophobicContact CB-CB 4.16Å; R241-L270 PolarHBondContact N-O 2.81Å; R241-L270 VanDerWaalsContact N-O 3.08Å; R241-L270 PolarHBondContact O-N 2.92Å; L270-L281 HydrophobicContact CB-CD1 3.91Å; L270-L281 HydrophobicContact CD1-CD1 4.15Å; L270-L298 HydrophobicContact CD1-CD1 3.63Å; L270-L298 HydrophobicContact CD1-CD2 3.71Å; L270-L298 HydrophobicContact CD1-CG 4.33Å; L270-W342 HydrophobicContact CB-CZ3 4.27Å; L270-D345 HydrophobicContact CD2-CB 4.45Å; L270-D345 VanDerWaalsContact CD2-O 3.29Å; L270-D345 WeakPolarHBondContact CD2-O 3.03Å; L270-I346 HydrophobicContact CD2-CG1 4.21Å
271R91.3Very high84.4Confident42 Ų4266.4 Ų66.416%0.15832%0.322CS..EExtended strand (participates in β ladder)trans-138.8151.9-177.864173.1-173.678.33.3112.3D238 L269 F279 R280 E282D238-R271 CarbonylContact O-C 3.6Å; D238-R271 VanDerWaalsContact O-CA 3.28Å; D238-R271 WeakPolarHBondContact O-CA 3.44Å; D238-R271 WeakPolarHBondContact O-CB 3.43Å; L269-R271 HydrophobicContact CD2-CG 4.47Å; L269-R271 HydrophobicContact CG-CB 4.35Å; L269-R271 HydrophobicContact CG-CG 4.35Å; R271-F279 WeakPolarHBondContact O-CA 3.04Å; R271-R280 PolarHBondContact N-O 3.09Å; R271-R280 VanDerWaalsContact N-O 3.08Å; R271-R280 PolarHBondContact O-N 2.8Å; R271-E282 IonicContact CZ-OE1 3.21Å; R271-E282 IonicContact CZ-OE2 2.74Å; R271-E282 IonicContact NE-OE1 3.64Å; R271-E282 IonicContact NE-OE2 2.79Å; R271-E282 PolarHBondContact NE-OE2 3.23Å; R271-E282 VanDerWaalsContact NH2-CD 3.34Å; R271-E282 IonicContact NH2-OE1 2.77Å; R271-E282 PolarHBondContact NH2-OE1 3.01Å; R271-E282 IonicContact NH2-OE2 3.4Å; R271-E282 PolarHBondContact NH2-OE2 3.41Å
272R86.2Confident85.7Confident113 Ų11364.5 Ų64.543%0.42630%0.303SS..EExtended strand (participates in β ladder)trans-61.5145.3165.9-168.5164.260-170.3-2.1109.3D238 R278 F279D238-R272 HydrophobicContact CB-CB 4.23Å; D238-R272 PolarHBondContact O-N 3.48Å; D238-R272 IonicContact OD1-CZ 3.2Å; D238-R272 IonicContact OD1-NE 2.84Å; D238-R272 PolarHBondContact OD1-NE 3.46Å; D238-R272 IonicContact OD1-NH2 2.72Å; D238-R272 PolarHBondContact OD1-NH2 2.95Å; R272-R278 WeakPolarHBondContact CA-O 3.49Å; R272-R278 WeakPolarHBondContact CG-O 3.25Å; R272-F279 HydrophobicContact CB-CD1 4.12Å; R272-F279 HydrophobicContact CB-CE1 3.9Å; R272-F279 HydrophobicContact CG-CE1 4.31Å
273A79.3Confident86.4Confident14 Ų1457.7 Ų57.712%0.11627%0.271CS..  trans-111.5157.1170.200000110A275 E277 R278 R280A273-A275 VanDerWaalsContact C-N 3.33Å; A273-E277 WeakPolarHBondContact CB-O 3.21Å; A273-R278 PolarHBondContact N-O 3.29Å; A273-R280 HydrophobicContact CB-CG 3.97Å
274V66.2Low86.7Confident135 Ų13556 Ų5682%0.81827%0.265SS*.SBendtrans-104.430.5-171.4-157.60000110.3
275A60.8Low86.7Confident72 Ų7254.9 Ų54.960%0.59526%0.262SS*.SBendtrans-130.9-172.5-179.300000108.6A273 E277A273-A275 VanDerWaalsContact C-N 3.33Å; A275-E277 PolarHBondContact O-N 2.88Å
276E59.4Low86.6Confident202 Ų20252 Ų5294%0.94426%0.258SS*.SBendtrans-59.6-31.1177.8-65.3164.3170.700112.2R278E276-R278 PolarHBondContact O-N 3.2Å
277E63.6Low86.3Confident60 Ų6054 Ų5428%0.2827%0.271SS..SBendtrans-65.3114.1164.5-64174.1177.900111A273 A275 R280 P297A273-E277 WeakPolarHBondContact CB-O 3.21Å; A275-E277 PolarHBondContact O-N 2.88Å; E277-R280 IonicContact OE1-NH1 2.93Å; E277-R280 PolarHBondContact OE1-NH1 2.74Å; E277-R280 WeakPolarHBondContact OE2-CD 3.32Å; E277-R280 VanDerWaalsContact OE2-CG 3.27Å; E277-R280 WeakPolarHBondContact OE2-CG 3.37Å; E277-R280 IonicContact OE2-CZ 3.45Å; E277-R280 IonicContact OE2-NE 3.64Å; E277-R280 IonicContact OE2-NH1 2.64Å; E277-R280 PolarHBondContact OE2-NH1 2.77Å; E277-P297 HydrophobicContact CG-CB 4.17Å; E277-P297 WeakPolarHBondContact OE1-CB 3.32Å
278R74.4Confident85.9Confident134 Ų13459.6 Ų59.651%0.50630%0.297SS..  trans-66.7-38.3178.4-55.6-172.2-162.4-171.29.1112.8R272 A273 E276 P352 D354R272-R278 WeakPolarHBondContact CA-O 3.49Å; R272-R278 WeakPolarHBondContact CG-O 3.25Å; A273-R278 PolarHBondContact N-O 3.29Å; E276-R278 PolarHBondContact O-N 3.2Å; R278-P352 VanDerWaalsContact CZ-CB 3.46Å; R278-P352 VanDerWaalsContact NH1-CB 3.28Å; R278-D354 IonicContact NH2-OD1 3.93Å
279F91.1Very high85.6Confident35 Ų3560.8 Ų60.815%0.15431%0.307CS..EExtended strand (participates in β ladder)trans-141.2148.7-175.1-66.7-78.2000113.5Q240 R271 R272 L298 C349Q240-F279 HydrophobicContact CG-CD1 4.23Å; Q240-F279 HydrophobicContact CG-CE1 3.66Å; R271-F279 WeakPolarHBondContact O-CA 3.04Å; R272-F279 HydrophobicContact CB-CD1 4.12Å; R272-F279 HydrophobicContact CB-CE1 3.9Å; R272-F279 HydrophobicContact CG-CE1 4.31Å; F279-L298 HydrophobicContact CB-CB 4.13Å; F279-L298 HydrophobicContact CB-CD1 4.12Å; F279-L298 HydrophobicContact CB-CD2 3.82Å; F279-L298 HydrophobicContact CB-CG 4.23Å; F279-L298 PolarHBondContact O-N 2.79Å; F279-C349 HydrophobicContact CB-CB 4.41Å; F279-C349 HydrophobicContact CD1-CB 4.35Å; F279-C349 HydrophobicContact CD2-CB 3.73Å; F279-C349 WeakPolarHBondContact CD2-O 3.25Å; F279-C349 HydrophobicContact CE2-CB 4.04Å; F279-C349 HydrophobicContact CG-CB 3.92Å; F279-C349 HydrophobicContact CZ-CB 4.5Å
280R93.1Very high85.3Confident58 Ų5866 Ų6622%0.21934%0.344CS..EExtended strand (participates in β ladder)trans-133.8147.3173.7-61.8-178.573.1102.55.3111.5R271 A273 E277 S295 P297R271-R280 PolarHBondContact N-O 3.09Å; R271-R280 VanDerWaalsContact N-O 3.08Å; R271-R280 PolarHBondContact O-N 2.8Å; A273-R280 HydrophobicContact CB-CG 3.97Å; E277-R280 IonicContact OE1-NH1 2.93Å; E277-R280 PolarHBondContact OE1-NH1 2.74Å; E277-R280 WeakPolarHBondContact OE2-CD 3.32Å; E277-R280 VanDerWaalsContact OE2-CG 3.27Å; E277-R280 WeakPolarHBondContact OE2-CG 3.37Å; E277-R280 IonicContact OE2-CZ 3.45Å; E277-R280 IonicContact OE2-NE 3.64Å; E277-R280 IonicContact OE2-NH1 2.64Å; E277-R280 PolarHBondContact OE2-NH1 2.77Å; R280-S295 PolarHBondContact NE-OG 3.13Å; R280-S295 VanDerWaalsContact NE-OG 3.16Å; R280-S295 PolarHBondContact NH2-OG 3.47Å; R280-P297 HydrophobicContact CG-CB 4.48Å
281L95.2Very high85.1Confident0 Ų075.5 Ų75.50%038%0.38CS..EExtended strand (participates in β ladder)trans-110.6121.1176.6-166.769.1000110.3L268 L269 L270 F283 S295 I296 L298 I301 L321 I346L268-L281 HydrophobicContact CD1-CD1 3.91Å; L268-L281 HydrophobicContact CD1-CD2 4.16Å; L268-L281 HydrophobicContact CD1-CG 3.76Å; L268-L281 HydrophobicContact CD2-CD1 4.03Å; L268-L281 HydrophobicContact CG-CD1 3.84Å; L268-L281 HydrophobicContact CG-CG 4.27Å; L269-L281 WeakPolarHBondContact O-CA 3.43Å; L270-L281 HydrophobicContact CB-CD1 3.91Å; L270-L281 HydrophobicContact CD1-CD1 4.15Å; L281-F283 HydrophobicContact CD2-CE2 3.91Å; L281-F283 HydrophobicContact CD2-CZ 4.24Å; L281-F283 HydrophobicContact CG-CE2 4.08Å; L281-S295 WeakPolarHBondContact O-CA 3.48Å; L281-I296 PolarHBondContact N-O 2.84Å; L281-I296 PolarHBondContact O-N 3.41Å; L281-L298 HydrophobicContact CB-CD1 3.84Å; L281-I301 HydrophobicContact CD2-CD1 4.25Å; L281-L321 HydrophobicContact CD2-CD1 3.43Å; L281-L321 VanDerWaalsContact CD2-CD1 3.43Å; L281-I346 HydrophobicContact CD1-CD1 4.33Å; L281-I346 HydrophobicContact CD1-CG1 4.49Å; L281-I346 HydrophobicContact CD2-CD1 4.18Å
282E96Very high85.2Confident18 Ų1875.6 Ų75.68%0.08439%0.386CS..EExtended strand (participates in β ladder)trans-122.6122.1-168.9-69.1-171.815100112.6L268 L269 R271 F284 P292 S295L268-E282 WeakPolarHBondContact CA-O 3.46Å; L269-E282 HydrophobicContact CB-CB 4.3Å; L269-E282 PolarHBondContact N-O 3.04Å; L269-E282 PolarHBondContact O-N 2.74Å; R271-E282 IonicContact CZ-OE1 3.21Å; R271-E282 IonicContact CZ-OE2 2.74Å; R271-E282 IonicContact NE-OE1 3.64Å; R271-E282 IonicContact NE-OE2 2.79Å; R271-E282 PolarHBondContact NE-OE2 3.23Å; R271-E282 VanDerWaalsContact NH2-CD 3.34Å; R271-E282 IonicContact NH2-OE1 2.77Å; R271-E282 PolarHBondContact NH2-OE1 3.01Å; R271-E282 IonicContact NH2-OE2 3.4Å; R271-E282 PolarHBondContact NH2-OE2 3.41Å; E282-F284 HydrophobicContact CB-CD2 4.44Å; E282-F284 HydrophobicContact CB-CE2 3.8Å; E282-P292 HydrophobicContact CB-CB 3.98Å; E282-P292 HydrophobicContact CB-CG 4.31Å; E282-P292 HydrophobicContact CG-CB 4.44Å; E282-P292 HydrophobicContact CG-CG 4.29Å; E282-S295 PolarHBondContact OE1-OG 3.07Å
283F96.9Very high85.6Confident0 Ų076.3 Ų76.30%039%0.392CS..EExtended strand (participates in β ladder)trans-100.9101.1-177.7-65.8-116.3000109.7F247 L268 L281 V285 P292 K293 V294 I296 L321 Y329 L331F247-F283 HydrophobicContact CB-CE1 4.28Å; F247-F283 HydrophobicContact CD1-CD1 4.16Å; F247-F283 HydrophobicContact CD2-CD1 4.02Å; F247-F283 AromaticContact CD2-CE1 3.97Å; F247-F283 HydrophobicContact CD2-CE1 3.97Å; F247-F283 HydrophobicContact CE1-CD1 4.37Å; F247-F283 HydrophobicContact CE2-CD1 4.22Å; F247-F283 AromaticContact CG-CD1 3.99Å; F247-F283 HydrophobicContact CG-CD1 3.99Å; F247-F283 HydrophobicContact CG-CE1 4.03Å; F247-F283 HydrophobicContact CZ-CD1 4.39Å; L268-F283 HydrophobicContact CD1-CD1 3.85Å; L268-F283 HydrophobicContact CD1-CD2 3.66Å; L268-F283 HydrophobicContact CD1-CE1 3.8Å; L268-F283 HydrophobicContact CD1-CE2 3.59Å; L268-F283 HydrophobicContact CD1-CG 3.78Å; L268-F283 HydrophobicContact CD1-CZ 3.67Å; L281-F283 HydrophobicContact CD2-CE2 3.91Å; L281-F283 HydrophobicContact CD2-CZ 4.24Å; L281-F283 HydrophobicContact CG-CE2 4.08Å; F283-V285 HydrophobicContact CB-CG2 4.34Å; F283-V285 PolarHBondContact O-N 3.44Å; F283-P292 CarbonylContact O-C 3.58Å; F283-P292 WeakPolarHBondContact O-CA 3.17Å; F283-K293 PolarHBondContact O-N 3.13Å; F283-V294 HydrophobicContact CB-CB 4.06Å; F283-V294 HydrophobicContact CB-CG2 4.49Å; F283-V294 HydrophobicContact CD2-CB 4.18Å; F283-V294 HydrophobicContact CG-CB 4.28Å; F283-V294 PolarHBondContact N-O 3.35Å; F283-V294 PolarHBondContact O-N 2.87Å; F283-I296 HydrophobicContact CD2-CD1 4.4Å; F283-I296 HydrophobicContact CE2-CD1 3.64Å; F283-I296 HydrophobicContact CE2-CG1 4.25Å; F283-I296 HydrophobicContact CZ-CD1 4.26Å; F283-L321 HydrophobicContact CZ-CD1 4.33Å; F283-Y329 HydrophobicContact CE1-CD1 4.4Å; F283-Y329 HydrophobicContact CZ-CD1 4.39Å; F283-L331 HydrophobicContact CE1-CD1 4.41Å; F283-L331 HydrophobicContact CE1-CD2 3.91Å; F283-L331 HydrophobicContact CE1-CG 4.33Å; F283-L331 HydrophobicContact CZ-CD1 4.44Å; F283-L331 HydrophobicContact CZ-CD2 4.15Å
284F96.7Very high86.3Confident15 Ų1577.2 Ų77.27%0.06640%0.396CS..EExtended strand (participates in β ladder)trans-83.5113.8173.9-65.4-98.9000109.8C266 R267 L269 E282 P286 P287 A289 R291 P292C266-F284 CarbonylContact C-O 3.58Å; C266-F284 VanDerWaalsContact CA-O 3.27Å; C266-F284 WeakPolarHBondContact CA-O 3.37Å; R267-F284 HydrophobicContact CB-CB 4.16Å; R267-F284 PolarHBondContact N-O 2.99Å; R267-F284 PolarHBondContact O-N 3.5Å; L269-F284 HydrophobicContact CB-CD2 4.45Å; L269-F284 HydrophobicContact CB-CE2 3.99Å; L269-F284 HydrophobicContact CD2-CE2 3.83Å; L269-F284 HydrophobicContact CD2-CZ 4.27Å; E282-F284 HydrophobicContact CB-CD2 4.44Å; E282-F284 HydrophobicContact CB-CE2 3.8Å; F284-P286 CarbonylContact C-O 3.57Å; F284-P286 VanDerWaalsContact C-O 3.28Å; F284-P286 CarbonylContact O-C 3.52Å; F284-P287 WeakPolarHBondContact O-CA 3.44Å; F284-A289 VanDerWaalsContact CD1-O 3.26Å; F284-A289 WeakPolarHBondContact CD1-O 3.4Å; F284-R291 VanDerWaalsContact CD1-C 3.4Å; F284-R291 WeakPolarHBondContact CD1-O 3.41Å; F284-R291 VanDerWaalsContact CE1-C 3.46Å; F284-P292 HydrophobicContact CD1-CB 4.43Å; F284-P292 HydrophobicContact CD2-CB 4.41Å; F284-P292 HydrophobicContact CE1-CB 4.34Å; F284-P292 HydrophobicContact CE2-CB 4.29Å; F284-P292 HydrophobicContact CG-CB 4.48Å; F284-P292 HydrophobicContact CZ-CB 4.26Å; F284-P292 HydrophobicContact CZ-CG 4.37Å
285V94.8Very high87.6Confident27 Ų2772.8 Ų72.816%0.16437%0.371CS..SBendtrans-134.1111.6-175-171.30000108.8F247 Q264 C266 F283 K293F247-V285 HydrophobicContact CE1-CG2 3.54Å; F247-V285 HydrophobicContact CZ-CG2 3.95Å; Q264-V285 HydrophobicContact CB-CG1 4.35Å; C266-V285 HydrophobicContact CB-CG2 3.8Å; F283-V285 HydrophobicContact CB-CG2 4.34Å; F283-V285 PolarHBondContact O-N 3.44Å; V285-K293 HydrophobicContact CB-CB 3.82Å; V285-K293 HydrophobicContact CB-CD 3.71Å; V285-K293 HydrophobicContact CB-CG 4.38Å; V285-K293 HydrophobicContact CG1-CD 3.99Å; V285-K293 HydrophobicContact CG2-CB 4.07Å; V285-K293 HydrophobicContact CG2-CD 4.19Å
286P91.1Very high89.2Confident89 Ų8969.7 Ų69.758%0.57835%0.345SS*.SBendcis-63.3164.8-3.829.5-37.1000112.8F284 K288 A289F284-P286 CarbonylContact C-O 3.57Å; F284-P286 VanDerWaalsContact C-O 3.28Å; F284-P286 CarbonylContact O-C 3.52Å; P286-K288 PolarHBondContact O-N 3.16Å; P286-A289 WeakPolarHBondContact O-CB 3.2Å; P286-A289 PolarHBondContact O-N 3.45Å
287P90.6Very high90.8Very high41 Ų4161.2 Ų61.227%0.26631%0.307SS..THydrogen-bonded Turntrans-52-31.1-176.2-30.937.5000115.3K265 R267 F284 A289K265-P287 HydrophobicContact CB-CG 4.18Å; K265-P287 WeakPolarHBondContact O-CD 3.36Å; R267-P287 HydrophobicContact CB-CB 3.91Å; R267-P287 WeakPolarHBondContact CD-O 3.43Å; R267-P287 PolarHBondContact NE-O 3.14Å; F284-P287 WeakPolarHBondContact O-CA 3.44Å; P287-A289 VanDerWaalsContact C-N 3.34Å
288K88.9Confident92.1Very high185 Ų18558.6 Ų58.680%0.80430%0.295SS*.THydrogen-bonded Turntrans-86.56.9179.8-61-175177.6-177.70114.3P286P286-K288 PolarHBondContact O-N 3.16Å
289A90.4Very high92.8Very high25 Ų2556.8 Ų56.821%0.20730%0.303CS..  trans-64.1145.917800000111.6F284 P286 P287 R291F284-A289 VanDerWaalsContact CD1-O 3.26Å; F284-A289 WeakPolarHBondContact CD1-O 3.4Å; P286-A289 WeakPolarHBondContact O-CB 3.2Å; P286-A289 PolarHBondContact O-N 3.45Å; P287-A289 VanDerWaalsContact C-N 3.34Å; A289-R291 VanDerWaalsContact C-N 3.32Å; A289-R291 WeakPolarHBondContact CB-O 3.47Å
290S89.5Confident92.8Very high120 Ų12055.2 Ų55.284%0.83930%0.296SS*.SBendtrans-82.8-7.8176.254.70000113.9
291R91.2Very high92.8Very high201 Ų20152.9 Ų52.976%0.75829%0.288SS*.SBendtrans-138.6148.1176-65.8-18065.8-167-1.4108.9F284 A289F284-R291 VanDerWaalsContact CD1-C 3.4Å; F284-R291 WeakPolarHBondContact CD1-O 3.41Å; F284-R291 VanDerWaalsContact CE1-C 3.46Å; A289-R291 VanDerWaalsContact C-N 3.32Å; A289-R291 WeakPolarHBondContact CB-O 3.47Å
292P94.4Very high92.6Very high44 Ų4458.1 Ų58.129%0.28632%0.315SS..  trans-69.2148.9173.928.8-33.5000111.4E282 F283 F284E282-P292 HydrophobicContact CB-CB 3.98Å; E282-P292 HydrophobicContact CB-CG 4.31Å; E282-P292 HydrophobicContact CG-CB 4.44Å; E282-P292 HydrophobicContact CG-CG 4.29Å; F283-P292 CarbonylContact O-C 3.58Å; F283-P292 WeakPolarHBondContact O-CA 3.17Å; F284-P292 HydrophobicContact CD1-CB 4.43Å; F284-P292 HydrophobicContact CD2-CB 4.41Å; F284-P292 HydrophobicContact CE1-CB 4.34Å; F284-P292 HydrophobicContact CE2-CB 4.29Å; F284-P292 HydrophobicContact CG-CB 4.48Å; F284-P292 HydrophobicContact CZ-CB 4.26Å; F284-P292 HydrophobicContact CZ-CG 4.37Å
293K93.8Very high92.4Very high128 Ų12860.7 Ų60.756%0.55733%0.327SS*.SBendtrans-81.1-34.7169.4179.5-179.3173.8-179.30111F283 V285F283-K293 PolarHBondContact O-N 3.13Å; V285-K293 HydrophobicContact CB-CB 3.82Å; V285-K293 HydrophobicContact CB-CD 3.71Å; V285-K293 HydrophobicContact CB-CG 4.38Å; V285-K293 HydrophobicContact CG1-CD 3.99Å; V285-K293 HydrophobicContact CG2-CB 4.07Å; V285-K293 HydrophobicContact CG2-CD 4.19Å
294V93.8Very high92.4Very high33 Ų3361.5 Ų61.520%0.233%0.332CS..EExtended strand (participates in β ladder)trans-131.8135.2175.2-165.60000108.2F283 I296 Y329F283-V294 HydrophobicContact CB-CB 4.06Å; F283-V294 HydrophobicContact CB-CG2 4.49Å; F283-V294 HydrophobicContact CD2-CB 4.18Å; F283-V294 HydrophobicContact CG-CB 4.28Å; F283-V294 PolarHBondContact N-O 3.35Å; F283-V294 PolarHBondContact O-N 2.87Å; V294-I296 HydrophobicContact CG1-CD1 4.12Å; V294-I296 HydrophobicContact CG1-CG1 3.78Å; V294-Y329 HydrophobicContact CG1-CE1 4.25Å
295S93.9Very high92.2Very high41 Ų4163.6 Ų63.629%0.28734%0.339SS..EExtended strand (participates in β ladder)trans-133.5112.1175.7179.30000107.5R280 L281 E282R280-S295 PolarHBondContact NE-OG 3.13Å; R280-S295 VanDerWaalsContact NE-OG 3.16Å; R280-S295 PolarHBondContact NH2-OG 3.47Å; L281-S295 WeakPolarHBondContact O-CA 3.48Å; E282-S295 PolarHBondContact OE1-OG 3.07Å
296I93.6Very high92.1Very high8 Ų864.4 Ų64.44%0.04135%0.345CS..EExtended strand (participates in β ladder)trans-112.3122.1-172.9-46.6178.6000107.1L281 F283 V294 A300 I301 V323 Y329L281-I296 PolarHBondContact N-O 2.84Å; L281-I296 PolarHBondContact O-N 3.41Å; F283-I296 HydrophobicContact CD2-CD1 4.4Å; F283-I296 HydrophobicContact CE2-CD1 3.64Å; F283-I296 HydrophobicContact CE2-CG1 4.25Å; F283-I296 HydrophobicContact CZ-CD1 4.26Å; V294-I296 HydrophobicContact CG1-CD1 4.12Å; V294-I296 HydrophobicContact CG1-CG1 3.78Å; I296-A300 HydrophobicContact CG2-CB 4.46Å; I296-I301 HydrophobicContact CG2-CD1 4.49Å; I296-I301 HydrophobicContact CG2-CG1 3.99Å; I296-V323 HydrophobicContact CD1-CG2 4.13Å; I296-V323 HydrophobicContact CG2-CG1 4.07Å; I296-V323 HydrophobicContact CG2-CG2 4.02Å; I296-Y329 HydrophobicContact CD1-CD2 4.16Å; I296-Y329 HydrophobicContact CD1-CE1 4.41Å; I296-Y329 HydrophobicContact CD1-CE2 3.8Å
297P92.6Very high92.1Very high23 Ų2360.9 Ų60.915%0.14932%0.321CS..EExtended strand (participates in β ladder)trans-71143.8171.331.8-32.7000109.5E277 R280 S299 A300E277-P297 HydrophobicContact CG-CB 4.17Å; E277-P297 WeakPolarHBondContact OE1-CB 3.32Å; R280-P297 HydrophobicContact CG-CB 4.48Å; P297-S299 PolarHBondContact O-N 3.14Å; P297-A300 HydrophobicContact CG-CB 3.79Å; P297-A300 WeakPolarHBondContact O-CB 3.38Å; P297-A300 PolarHBondContact O-N 3.4Å
298L91.2Very high91.9Very high5 Ų564.1 Ų64.13%0.02633%0.334CS..G310 helixtrans-65.8-27.1-174.9-99.769.6000112.9L270 F279 L281 A300 I301 I346 C349 V350L270-L298 HydrophobicContact CD1-CD1 3.63Å; L270-L298 HydrophobicContact CD1-CD2 3.71Å; L270-L298 HydrophobicContact CD1-CG 4.33Å; F279-L298 HydrophobicContact CB-CB 4.13Å; F279-L298 HydrophobicContact CB-CD1 4.12Å; F279-L298 HydrophobicContact CB-CD2 3.82Å; F279-L298 HydrophobicContact CB-CG 4.23Å; F279-L298 PolarHBondContact O-N 2.79Å; L281-L298 HydrophobicContact CB-CD1 3.84Å; L298-A300 PolarHBondContact O-N 2.91Å; L298-I301 HydrophobicContact CD1-CD1 4.3Å; L298-I301 HydrophobicContact CG-CD1 4.12Å; L298-I301 WeakPolarHBondContact O-CB 3.39Å; L298-I301 PolarHBondContact O-N 2.78Å; L298-I301 VanDerWaalsContact O-N 3.08Å; L298-I346 HydrophobicContact CD2-CG2 4.34Å; L298-C349 HydrophobicContact CD2-CB 3.37Å; L298-V350 HydrophobicContact CB-CG2 4.16Å; L298-V350 HydrophobicContact CD2-CG2 3.88Å; L298-V350 HydrophobicContact CG-CG2 4Å
299S89.1Confident91.2Very high97 Ų9760.4 Ų60.468%0.67833%0.329SS*.G310 helixtrans-62.3-21.5172.351.50000114.3P297P297-S299 PolarHBondContact O-N 3.14Å
300A91.9Very high90.6Very high2 Ų267.1 Ų67.12%0.01736%0.36CS..G310 helixtrans-87.8-4.9175.900000113I296 P297 L298 I302 V323 E324I296-A300 HydrophobicContact CG2-CB 4.46Å; P297-A300 HydrophobicContact CG-CB 3.79Å; P297-A300 WeakPolarHBondContact O-CB 3.38Å; P297-A300 PolarHBondContact O-N 3.4Å; L298-A300 PolarHBondContact O-N 2.91Å; A300-I302 PolarHBondContact O-N 3.17Å; A300-V323 HydrophobicContact CB-CG1 4.1Å; A300-V323 CarbonylContact O-C 3.28Å; A300-V323 VanDerWaalsContact O-CA 3.28Å; A300-V323 WeakPolarHBondContact O-CA 3.41Å; A300-V323 WeakPolarHBondContact O-CG1 3.29Å; A300-E324 HydrophobicContact CB-CG 3.97Å; A300-E324 WeakPolarHBondContact CB-OE1 3.38Å; A300-E324 PolarHBondContact O-N 3.43Å
301I92.4Very high90.3Very high9 Ų965 Ų655%0.04634%0.338CS..EExtended strand (participates in β ladder)trans-88.5105179.5-55.2-177.6000108.4L281 I296 L298 V304 L321 K322 I346L281-I301 HydrophobicContact CD2-CD1 4.25Å; I296-I301 HydrophobicContact CG2-CD1 4.49Å; I296-I301 HydrophobicContact CG2-CG1 3.99Å; L298-I301 HydrophobicContact CD1-CD1 4.3Å; L298-I301 HydrophobicContact CG-CD1 4.12Å; L298-I301 WeakPolarHBondContact O-CB 3.39Å; L298-I301 PolarHBondContact O-N 2.78Å; L298-I301 VanDerWaalsContact O-N 3.08Å; I301-V304 HydrophobicContact CG2-CG2 3.52Å; I301-L321 HydrophobicContact CG2-CD2 4.38Å; I301-K322 CarbonylContact C-O 3.51Å; I301-K322 WeakPolarHBondContact CA-O 3.23Å; I301-I346 HydrophobicContact CD1-CG2 4.37Å
302I92.2Very high89.8Confident110 Ų11056.9 Ų56.956%0.56431%0.308SS*.EExtended strand (participates in β ladder)trans-85.5-18.5-177.364.9171.5000113.1A300 K322 E324A300-I302 PolarHBondContact O-N 3.17Å; I302-K322 HydrophobicContact CD1-CD 4.17Å; I302-K322 HydrophobicContact CD1-CG 3.98Å; I302-K322 HydrophobicContact CG1-CB 4.05Å; I302-K322 HydrophobicContact CG1-CD 4.39Å; I302-K322 HydrophobicContact CG1-CG 3.91Å; I302-K322 PolarHBondContact N-O 3.32Å; I302-E324 HydrophobicContact CG2-CB 4.03Å
303E92.3Very high88.9Confident71 Ų7158.6 Ų58.633%0.33232%0.32SS..EExtended strand (participates in β ladder)trans-150.9133.1-179.5-155.8-174.9165.700111.1R305 K322E303-R305 HydrophobicContact CG-CG 4.42Å; E303-R305 WeakPolarHBondContact OE1-CD 3.44Å; E303-R305 IonicContact OE1-CZ 3.87Å; E303-R305 IonicContact OE1-NE 3.7Å; E303-R305 PolarHBondContact OE1-NE 3.43Å; E303-K322 HydrophobicContact CB-CB 3.66Å; E303-K322 PolarHBondContact N-O 3.12Å; E303-K322 PolarHBondContact O-N 3.01Å; E303-K322 WeakPolarHBondContact OE2-CD 3.36Å
304V95.2Very high88.1Confident18 Ų1862.3 Ų62.311%0.10934%0.339CS..EExtended strand (participates in β ladder)trans-129.5111.4170.7-176.30000107.9I301 L321 V343 I346 Q347I301-V304 HydrophobicContact CG2-CG2 3.52Å; V304-L321 HydrophobicContact CB-CD2 4.18Å; V304-L321 HydrophobicContact CG1-CD2 3.78Å; V304-L321 HydrophobicContact CG2-CD2 3.71Å; V304-V343 HydrophobicContact CG1-CB 4.43Å; V304-V343 HydrophobicContact CG1-CG1 4.16Å; V304-V343 HydrophobicContact CG1-CG2 4.29Å; V304-I346 HydrophobicContact CG1-CG2 4.49Å; V304-I346 HydrophobicContact CG2-CG2 3.92Å; V304-Q347 HydrophobicContact CB-CG 3.91Å; V304-Q347 HydrophobicContact CG1-CG 4.01Å; V304-Q347 PolarHBondContact O-NE2 3.25Å
305R93Very high87.5Confident58 Ų5863.5 Ų63.522%0.21934%0.341CS..EExtended strand (participates in β ladder)trans-146.3160.3-179.661.6168.3170.690.1-1.4112.9E303 E311 F319 V320E303-R305 HydrophobicContact CG-CG 4.42Å; E303-R305 WeakPolarHBondContact OE1-CD 3.44Å; E303-R305 IonicContact OE1-CZ 3.87Å; E303-R305 IonicContact OE1-NE 3.7Å; E303-R305 PolarHBondContact OE1-NE 3.43Å; R305-E311 IonicContact CZ-OE1 2.7Å; R305-E311 VanDerWaalsContact CZ-OE1 3.23Å; R305-E311 IonicContact CZ-OE2 3.73Å; R305-E311 IonicContact NH1-OE1 2.83Å; R305-E311 PolarHBondContact NH1-OE1 3.15Å; R305-E311 IonicContact NH1-OE2 2.65Å; R305-E311 PolarHBondContact NH1-OE2 3.48Å; R305-E311 IonicContact NH2-OE1 2.65Å; R305-E311 PolarHBondContact NH2-OE1 3.33Å; R305-F319 CarbonylContact O-C 3.55Å; R305-F319 WeakPolarHBondContact O-CA 3.44Å; R305-F319 WeakPolarHBondContact O-CB 3.46Å; R305-V320 HydrophobicContact CG-CB 4.38Å; R305-V320 PolarHBondContact N-O 2.79Å; R305-V320 PolarHBondContact O-N 3.06Å
306T93.4Very high87.2Confident45 Ų4566.2 Ų66.228%0.27635%0.353SS..EExtended strand (participates in β ladder)trans-68.7148.7167.255.40000110.6K339T306-K339 HydrophobicContact CG2-CD 3.69Å; T306-K339 HydrophobicContact CG2-CG 4.3Å
307T90.3Very high87.2Confident14 Ų1467 Ų679%0.08636%0.357CS..PPolyproline II helixtrans-65.4139.6171.649.40000110.7E311 M312 T318 V320 I330T307-E311 WeakPolarHBondContact CA-OE2 3.37Å; T307-M312 HydrophobicContact CG2-CB 4.14Å; T307-M312 HydrophobicContact CG2-CG 3.75Å; T307-T318 PolarHBondContact N-O 2.67Å; T307-T318 WeakPolarHBondContact OG1-CB 3.34Å; T307-T318 PolarHBondContact OG1-O 3.48Å; T307-T318 VanDerWaalsContact OG1-O 3.11Å; T307-T318 PolarHBondContact OG1-OG1 3.33Å; T307-V320 HydrophobicContact CG2-CG2 3.56Å; T307-I330 HydrophobicContact CG2-CG2 3.91Å
308M85.8Confident87.3Confident110 Ų11065.9 Ų65.954%0.54235%0.35SS..PPolyproline II helixtrans-76.9151.2168.6-65.6-63.4178.900110.3L310 E311 M312M308-L310 PolarHBondContact O-N 3.22Å; M308-E311 HydrophobicContact CB-CG 4.31Å; M308-E311 PolarHBondContact N-OE2 3.26Å; M308-E311 PolarHBondContact O-N 2.89Å; M308-M312 PolarHBondContact O-N 2.82Å
309P74.4Confident87.5Confident106 Ų10665.7 Ų65.769%0.68835%0.349SS*.THydrogen-bonded Turntrans-59.9-17.3-179.3-2635.4000115.4P313P309-P313 VanDerWaalsContact O-CA 3.29Å; P309-P313 WeakPolarHBondContact O-CA 3.35Å
310L79.1Confident87.8Confident166 Ų16661.2 Ų61.287%0.86932%0.318SS*.THydrogen-bonded Turntrans-80.4-26.2175.1-173.861.8000112.9M308M308-L310 PolarHBondContact O-N 3.22Å
311E81.8Confident88Confident77 Ų7761.1 Ų61.136%0.3632%0.317SS..THydrogen-bonded Turntrans-86.3-45.3179.1-57.4170.5132.700111R305 T307 M308R305-E311 IonicContact CZ-OE1 2.7Å; R305-E311 VanDerWaalsContact CZ-OE1 3.23Å; R305-E311 IonicContact CZ-OE2 3.73Å; R305-E311 IonicContact NH1-OE1 2.83Å; R305-E311 PolarHBondContact NH1-OE1 3.15Å; R305-E311 IonicContact NH1-OE2 2.65Å; R305-E311 PolarHBondContact NH1-OE2 3.48Å; R305-E311 IonicContact NH2-OE1 2.65Å; R305-E311 PolarHBondContact NH2-OE1 3.33Å; T307-E311 WeakPolarHBondContact CA-OE2 3.37Å; M308-E311 HydrophobicContact CB-CG 4.31Å; M308-E311 PolarHBondContact N-OE2 3.26Å; M308-E311 PolarHBondContact O-N 2.89Å
312M82.3Confident88.1Confident29 Ų2963.6 Ų63.614%0.14333%0.327CS..SBendtrans-131.382.3177.6-71.8-56.4-4400109.5W263 T307 M308 K315 I330W263-M312 HydrophobicContact CZ2-CE 3.89Å; W263-M312 HydrophobicContact CZ2-SD 4.4Å; T307-M312 HydrophobicContact CG2-CB 4.14Å; T307-M312 HydrophobicContact CG2-CG 3.75Å; M308-M312 PolarHBondContact O-N 2.82Å; M312-K315 HydrophobicContact CB-CB 4.49Å; M312-K315 HydrophobicContact CE-CD 3.93Å; M312-I330 HydrophobicContact CG-CG2 4.06Å; M312-I330 HydrophobicContact SD-CD1 4.36Å; M312-I330 HydrophobicContact SD-CG2 4.44Å
313P74.8Confident88.1Confident81 Ų8158.9 Ų58.953%0.52630%0.303SS..THydrogen-bonded Turntrans-60.3154.7172.325.5-34.2000111.1P309 K315P309-P313 VanDerWaalsContact O-CA 3.29Å; P309-P313 WeakPolarHBondContact O-CA 3.35Å; P313-K315 PolarHBondContact O-N 2.9Å
314E76.2Confident88.1Confident205 Ų20562 Ų6296%0.95832%0.318SS*.THydrogen-bonded Turntrans61.79177.5-57.6173.8-166.100115.7
315K82.1Confident87.6Confident58 Ų5867 Ų6725%0.25234%0.344SS..  trans-127.2109.2-179.5-63.1-159-172.9-173.80113.6M312 P313 N317 T318 E332M312-K315 HydrophobicContact CB-CB 4.49Å; M312-K315 HydrophobicContact CE-CD 3.93Å; P313-K315 PolarHBondContact O-N 2.9Å; K315-N317 WeakPolarHBondContact CB-OD1 3.4Å; K315-T318 HydrophobicContact CB-CG2 4.21Å; K315-T318 HydrophobicContact CD-CG2 4.04Å; K315-T318 PolarHBondContact O-OG1 3.02Å; K315-E332 IonicContact NZ-OE1 3Å; K315-E332 PolarHBondContact NZ-OE1 2.99Å
316D87.8Confident87.2Confident98 Ų9867 Ų6752%0.52436%0.362SS..SBendtrans-86.3-9.2172.177.8-32.1000112.9S336 K339D316-S336 WeakPolarHBondContact O-CB 3.45Å; D316-S336 WeakPolarHBondContact OD2-CB 3.36Å; D316-S336 PolarHBondContact OD2-OG 3.22Å; D316-K339 VanDerWaalsContact O-CD 3.23Å; D316-K339 WeakPolarHBondContact O-CD 3.27Å; D316-K339 VanDerWaalsContact O-CE 3.25Å; D316-K339 WeakPolarHBondContact O-CE 3.37Å; D316-K339 PolarHBondContact O-NZ 3.29Å
317N92.8Very high86.9Confident25 Ų2565.7 Ų65.713%0.13436%0.356CS..SBendtrans-101.310.1-170.467-28000114.3K315 E332 T333K315-N317 WeakPolarHBondContact CB-OD1 3.4Å; N317-E332 WeakPolarHBondContact ND2-CG 3.35Å; N317-T333 PolarHBondContact ND2-O 2.72Å; N317-T333 PolarHBondContact O-N 3.42Å; N317-T333 PolarHBondContact O-OG1 3.24Å
318T95.2Very high87.1Confident0 Ų067.1 Ų67.10%036%0.362CS..EExtended strand (participates in β ladder)trans-108.5146-176.939.90000115W263 T307 K315 L331 E332 K339W263-T318 HydrophobicContact CH2-CG2 4.01Å; T307-T318 PolarHBondContact N-O 2.67Å; T307-T318 WeakPolarHBondContact OG1-CB 3.34Å; T307-T318 PolarHBondContact OG1-O 3.48Å; T307-T318 VanDerWaalsContact OG1-O 3.11Å; T307-T318 PolarHBondContact OG1-OG1 3.33Å; K315-T318 HydrophobicContact CB-CG2 4.21Å; K315-T318 HydrophobicContact CD-CG2 4.04Å; K315-T318 PolarHBondContact O-OG1 3.02Å; T318-L331 CarbonylContact C-O 3.55Å; T318-L331 WeakPolarHBondContact CA-O 3.25Å; T318-E332 HydrophobicContact CG2-CB 3.78Å; T318-E332 HydrophobicContact CG2-CG 4.08Å; T318-K339 WeakPolarHBondContact O-CD 3.43Å
319F96.2Very high87.4Confident0 Ų063.2 Ų63.20%034%0.341CS..EExtended strand (participates in β ladder)trans-140158.5174.868.6-85.8000111.8R305 L321 I330 L331 T333 K339 W342 V343 I346R305-F319 CarbonylContact O-C 3.55Å; R305-F319 WeakPolarHBondContact O-CA 3.44Å; R305-F319 WeakPolarHBondContact O-CB 3.46Å; F319-L321 HydrophobicContact CD2-CD2 4.22Å; F319-L321 HydrophobicContact CD2-CG 4.23Å; F319-L321 HydrophobicContact CE2-CD1 4.17Å; F319-L321 HydrophobicContact CE2-CD2 3.99Å; F319-L321 HydrophobicContact CE2-CG 3.94Å; F319-I330 WeakPolarHBondContact O-CA 3.02Å; F319-L331 HydrophobicContact CD1-CB 4.03Å; F319-L331 HydrophobicContact CD2-CB 4.39Å; F319-L331 HydrophobicContact CE1-CB 3.66Å; F319-L331 HydrophobicContact CE1-CD2 4.44Å; F319-L331 HydrophobicContact CE2-CB 4.05Å; F319-L331 HydrophobicContact CE2-CD1 4.21Å; F319-L331 HydrophobicContact CE2-CD2 4.11Å; F319-L331 HydrophobicContact CE2-CG 4.35Å; F319-L331 HydrophobicContact CG-CB 4.39Å; F319-L331 HydrophobicContact CZ-CB 3.68Å; F319-L331 HydrophobicContact CZ-CD2 3.73Å; F319-L331 HydrophobicContact CZ-CG 4.18Å; F319-L331 PolarHBondContact N-O 3.16Å; F319-L331 PolarHBondContact O-N 3Å; F319-T333 HydrophobicContact CD1-CG2 4.05Å; F319-T333 HydrophobicContact CE1-CG2 3.65Å; F319-K339 HydrophobicContact CB-CG 3.96Å; F319-K339 HydrophobicContact CD1-CB 4.49Å; F319-K339 HydrophobicContact CD1-CG 4.02Å; F319-K339 HydrophobicContact CG-CG 4.44Å; F319-W342 HydrophobicContact CE1-CB 3.77Å; F319-W342 HydrophobicContact CE1-CG 4.27Å; F319-W342 HydrophobicContact CZ-CB 3.74Å; F319-W342 HydrophobicContact CZ-CG 4.24Å; F319-V343 HydrophobicContact CB-CG2 3.73Å; F319-V343 HydrophobicContact CD2-CG2 4.05Å; F319-V343 HydrophobicContact CG-CG2 3.88Å; F319-I346 HydrophobicContact CE2-CD1 4.12Å; F319-I346 HydrophobicContact CZ-CD1 4.47Å
320V95.5Very high88.4Confident4 Ų459 Ų592%0.02431%0.312CS..EExtended strand (participates in β ladder)trans-110.2138.4-179.4-169.50000109.5R305 T307 Y329R305-V320 HydrophobicContact CG-CB 4.38Å; R305-V320 PolarHBondContact N-O 2.79Å; R305-V320 PolarHBondContact O-N 3.06Å; T307-V320 HydrophobicContact CG2-CG2 3.56Å; V320-Y329 CarbonylContact C-O 3.55Å; V320-Y329 WeakPolarHBondContact CA-O 3.41Å
321L95.3Very high89.2Confident0 Ų051.1 Ų51.10%027%0.271CS..EExtended strand (participates in β ladder)trans-116.6116.7164-59.9175000108.2L281 F283 I301 V304 F319 Y329 L331 I346L281-L321 HydrophobicContact CD2-CD1 3.43Å; L281-L321 VanDerWaalsContact CD2-CD1 3.43Å; F283-L321 HydrophobicContact CZ-CD1 4.33Å; I301-L321 HydrophobicContact CG2-CD2 4.38Å; V304-L321 HydrophobicContact CB-CD2 4.18Å; V304-L321 HydrophobicContact CG1-CD2 3.78Å; V304-L321 HydrophobicContact CG2-CD2 3.71Å; F319-L321 HydrophobicContact CD2-CD2 4.22Å; F319-L321 HydrophobicContact CD2-CG 4.23Å; F319-L321 HydrophobicContact CE2-CD1 4.17Å; F319-L321 HydrophobicContact CE2-CD2 3.99Å; F319-L321 HydrophobicContact CE2-CG 3.94Å; L321-Y329 PolarHBondContact N-O 3.43Å; L321-Y329 PolarHBondContact O-N 2.87Å; L321-L331 HydrophobicContact CB-CD1 4.45Å; L321-L331 HydrophobicContact CD1-CD1 3.72Å; L321-L331 HydrophobicContact CD1-CD2 4.34Å; L321-L331 HydrophobicContact CG-CD1 3.92Å; L321-I346 HydrophobicContact CD1-CD1 4.37Å; L321-I346 HydrophobicContact CD2-CD1 4.13Å; L321-I346 HydrophobicContact CD2-CG2 4.48Å
322K93.6Very high89.9Confident61 Ų6148.7 Ų48.727%0.26526%0.26SS..EExtended strand (participates in β ladder)trans-99.5132.5174.4-165.6166.9-174.3142.30109.7I301 I302 E303 E328I301-K322 CarbonylContact C-O 3.51Å; I301-K322 WeakPolarHBondContact CA-O 3.23Å; I302-K322 HydrophobicContact CD1-CD 4.17Å; I302-K322 HydrophobicContact CD1-CG 3.98Å; I302-K322 HydrophobicContact CG1-CB 4.05Å; I302-K322 HydrophobicContact CG1-CD 4.39Å; I302-K322 HydrophobicContact CG1-CG 3.91Å; I302-K322 PolarHBondContact N-O 3.32Å; E303-K322 HydrophobicContact CB-CB 3.66Å; E303-K322 PolarHBondContact N-O 3.12Å; E303-K322 PolarHBondContact O-N 3.01Å; E303-K322 WeakPolarHBondContact OE2-CD 3.36Å; K322-E328 HydrophobicContact CB-CG 4.2Å; K322-E328 HydrophobicContact CD-CG 4.14Å; K322-E328 WeakPolarHBondContact CD-OE1 3.47Å; K322-E328 WeakPolarHBondContact CE-OE1 3.28Å; K322-E328 HydrophobicContact CG-CG 3.76Å; K322-E328 IonicContact NZ-OE1 3.49Å; K322-E328 PolarHBondContact NZ-OE1 3.26Å
323V94.1Very high90.5Very high10 Ų1047.7 Ų47.76%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-112.3147.4-175.7-174.10000110.1I296 A300 N325 G326 A327 Y329I296-V323 HydrophobicContact CD1-CG2 4.13Å; I296-V323 HydrophobicContact CG2-CG1 4.07Å; I296-V323 HydrophobicContact CG2-CG2 4.02Å; A300-V323 HydrophobicContact CB-CG1 4.1Å; A300-V323 CarbonylContact O-C 3.28Å; A300-V323 VanDerWaalsContact O-CA 3.28Å; A300-V323 WeakPolarHBondContact O-CA 3.41Å; A300-V323 WeakPolarHBondContact O-CG1 3.29Å; V323-N325 PolarHBondContact O-N 2.88Å; V323-G326 PolarHBondContact O-N 2.83Å; V323-A327 PolarHBondContact N-O 2.82Å; V323-Y329 HydrophobicContact CG2-CD2 3.93Å; V323-Y329 HydrophobicContact CG2-CE2 3.7Å
324E90.7Very high91.1Very high138 Ų13850.4 Ų50.465%0.64526%0.264SS*.THydrogen-bonded Turntrans-51-28.5-178.471.7-174.1159.300114.4A300 I302 G326A300-E324 HydrophobicContact CB-CG 3.97Å; A300-E324 WeakPolarHBondContact CB-OE1 3.38Å; A300-E324 PolarHBondContact O-N 3.43Å; I302-E324 HydrophobicContact CG2-CB 4.03Å; E324-G326 PolarHBondContact O-N 2.81Å
325N85.7Confident91.9Very high122 Ų12243.6 Ų43.665%0.65223%0.234SC*.THydrogen-bonded Turntrans-80.45.3179.388.5-31.6000114.1V323 A327V323-N325 PolarHBondContact O-N 2.88Å; N325-A327 WeakPolarHBondContact OD1-CB 3.28Å; N325-A327 PolarHBondContact OD1-N 2.66Å; N325-A327 VanDerWaalsContact OD1-N 3.11Å
326G83.4Confident92.3Very high57 Ų5742.6 Ų42.659%0.58824%0.235SC*.SBendtrans90.2-6.6-178.900000115V323 E324V323-G326 PolarHBondContact O-N 2.83Å; E324-G326 PolarHBondContact O-N 2.81Å
327A89Confident92.5Very high19 Ų1943 Ų4316%0.15724%0.236CC..  trans-75.2127.3178.600000112.1V323 N325 Y329V323-A327 PolarHBondContact N-O 2.82Å; N325-A327 WeakPolarHBondContact OD1-CB 3.28Å; N325-A327 PolarHBondContact OD1-N 2.66Å; N325-A327 VanDerWaalsContact OD1-N 3.11Å; A327-Y329 HydrophobicContact CB-CD2 4.49Å; A327-Y329 HydrophobicContact CB-CE2 3.67Å
328E92.6Very high92.4Very high44 Ų4443.3 Ų43.321%0.20624%0.237CC..EExtended strand (participates in β ladder)trans-105.2127.6172.3-77.2-175.6-16000110.9V249 A250 K322V249-E328 CarbonylContact C-O 3.36Å; V249-E328 WeakPolarHBondContact CA-O 3.36Å; A250-E328 HydrophobicContact CB-CB 4.05Å; A250-E328 PolarHBondContact N-O 2.73Å; K322-E328 HydrophobicContact CB-CG 4.2Å; K322-E328 HydrophobicContact CD-CG 4.14Å; K322-E328 WeakPolarHBondContact CD-OE1 3.47Å; K322-E328 WeakPolarHBondContact CE-OE1 3.28Å; K322-E328 HydrophobicContact CG-CG 3.76Å; K322-E328 IonicContact NZ-OE1 3.49Å; K322-E328 PolarHBondContact NZ-OE1 3.26Å
329Y93.8Very high92.4Very high27 Ų2744.1 Ų44.111%0.10624%0.24CC..EExtended strand (participates in β ladder)trans-111.4120177.8-60.3-102000108.9F247 M248 V249 F283 V294 I296 V320 L321 V323 A327 L331F247-Y329 HydrophobicContact CD2-CD1 4.04Å; F247-Y329 HydrophobicContact CE2-CD1 4.18Å; F247-Y329 HydrophobicContact CE2-CE1 4.48Å; M248-Y329 WeakPolarHBondContact O-CA 3.2Å; V249-Y329 HydrophobicContact CG2-CD1 3.91Å; V249-Y329 HydrophobicContact CG2-CE1 3.79Å; F283-Y329 HydrophobicContact CE1-CD1 4.4Å; F283-Y329 HydrophobicContact CZ-CD1 4.39Å; V294-Y329 HydrophobicContact CG1-CE1 4.25Å; I296-Y329 HydrophobicContact CD1-CD2 4.16Å; I296-Y329 HydrophobicContact CD1-CE1 4.41Å; I296-Y329 HydrophobicContact CD1-CE2 3.8Å; V320-Y329 CarbonylContact C-O 3.55Å; V320-Y329 WeakPolarHBondContact CA-O 3.41Å; L321-Y329 PolarHBondContact N-O 3.43Å; L321-Y329 PolarHBondContact O-N 2.87Å; V323-Y329 HydrophobicContact CG2-CD2 3.93Å; V323-Y329 HydrophobicContact CG2-CE2 3.7Å; A327-Y329 HydrophobicContact CB-CD2 4.49Å; A327-Y329 HydrophobicContact CB-CE2 3.67Å; Y329-L331 WeakPolarHBondContact O-CD1 3.13Å
330I94.4Very high92.2Very high18 Ų1849 Ų499%0.09226%0.263CS..EExtended strand (participates in β ladder)trans-96.9121.5171.8-49.9178000107.9F247 M248 A250 W263 T307 M312 F319F247-I330 CarbonylContact C-O 3.59Å; F247-I330 WeakPolarHBondContact CA-O 3.28Å; M248-I330 HydrophobicContact CG-CB 3.83Å; M248-I330 HydrophobicContact CG-CG1 4.49Å; M248-I330 PolarHBondContact N-O 3.11Å; M248-I330 PolarHBondContact O-N 3.12Å; M248-I330 HydrophobicContact SD-CB 4.39Å; M248-I330 HydrophobicContact SD-CD1 4.24Å; A250-I330 HydrophobicContact CB-CD1 4.32Å; A250-I330 HydrophobicContact CB-CG1 4.49Å; W263-I330 HydrophobicContact CH2-CG2 4.05Å; T307-I330 HydrophobicContact CG2-CG2 3.91Å; M312-I330 HydrophobicContact CG-CG2 4.06Å; M312-I330 HydrophobicContact SD-CD1 4.36Å; M312-I330 HydrophobicContact SD-CG2 4.44Å; F319-I330 WeakPolarHBondContact O-CA 3.02Å
331L96.1Very high92.2Very high0 Ų050.5 Ų50.50%027%0.274CS..EExtended strand (participates in β ladder)trans-112138.8-178.3-70.786.1000110.4L245 R246 F247 L268 F283 T318 F319 L321 Y329L245-L331 HydrophobicContact CD1-CD2 4.03Å; R246-L331 WeakPolarHBondContact O-CA 3.42Å; F247-L331 HydrophobicContact CB-CG 3.94Å; L268-L331 HydrophobicContact CD1-CD2 4.43Å; L268-L331 HydrophobicContact CD2-CD2 3.62Å; F283-L331 HydrophobicContact CE1-CD1 4.41Å; F283-L331 HydrophobicContact CE1-CD2 3.91Å; F283-L331 HydrophobicContact CE1-CG 4.33Å; F283-L331 HydrophobicContact CZ-CD1 4.44Å; F283-L331 HydrophobicContact CZ-CD2 4.15Å; T318-L331 CarbonylContact C-O 3.55Å; T318-L331 WeakPolarHBondContact CA-O 3.25Å; F319-L331 HydrophobicContact CD1-CB 4.03Å; F319-L331 HydrophobicContact CD2-CB 4.39Å; F319-L331 HydrophobicContact CE1-CB 3.66Å; F319-L331 HydrophobicContact CE1-CD2 4.44Å; F319-L331 HydrophobicContact CE2-CB 4.05Å; F319-L331 HydrophobicContact CE2-CD1 4.21Å; F319-L331 HydrophobicContact CE2-CD2 4.11Å; F319-L331 HydrophobicContact CE2-CG 4.35Å; F319-L331 HydrophobicContact CG-CB 4.39Å; F319-L331 HydrophobicContact CZ-CB 3.68Å; F319-L331 HydrophobicContact CZ-CD2 3.73Å; F319-L331 HydrophobicContact CZ-CG 4.18Å; F319-L331 PolarHBondContact N-O 3.16Å; F319-L331 PolarHBondContact O-N 3Å; L321-L331 HydrophobicContact CB-CD1 4.45Å; L321-L331 HydrophobicContact CD1-CD1 3.72Å; L321-L331 HydrophobicContact CD1-CD2 4.34Å; L321-L331 HydrophobicContact CG-CD1 3.92Å; Y329-L331 WeakPolarHBondContact O-CD1 3.13Å
332E95.5Very high92.2Very high26 Ų2650.7 Ų50.712%0.12127%0.274CS..EExtended strand (participates in β ladder)trans-117.2129.1178.9179.4-169-118.700109.6R246 W263 K315 N317 T318R246-E332 HydrophobicContact CB-CB 4.23Å; R246-E332 WeakPolarHBondContact CB-OE2 3.24Å; R246-E332 VanDerWaalsContact CD-OE2 3.25Å; R246-E332 WeakPolarHBondContact CD-OE2 3.38Å; R246-E332 IonicContact CZ-OE2 3.87Å; R246-E332 PolarHBondContact N-O 2.79Å; R246-E332 VanDerWaalsContact N-O 3.14Å; R246-E332 IonicContact NE-OE2 2.74Å; R246-E332 IonicContact NH1-OE1 3.9Å; R246-E332 PolarHBondContact NH1-OE1 3.09Å; R246-E332 IonicContact NH1-OE2 3.23Å; R246-E332 PolarHBondContact NH1-OE2 2.92Å; R246-E332 PolarHBondContact O-N 3.18Å; W263-E332 HydrophobicContact CE3-CB 4.22Å; W263-E332 HydrophobicContact CH2-CB 3.79Å; W263-E332 HydrophobicContact CZ3-CB 3.51Å; K315-E332 IonicContact NZ-OE1 3Å; K315-E332 PolarHBondContact NZ-OE1 2.99Å; N317-E332 WeakPolarHBondContact ND2-CG 3.35Å; T318-E332 HydrophobicContact CG2-CB 3.78Å; T318-E332 HydrophobicContact CG2-CG 4.08Å
333T95.6Very high92.3Very high8 Ų848.3 Ų48.35%0.04927%0.265CS..  trans-106.8175.2-178.266.20000111.9L245 N317 F319 D335 Q338 K339L245-T333 HydrophobicContact CD2-CG2 3.75Å; N317-T333 PolarHBondContact ND2-O 2.72Å; N317-T333 PolarHBondContact O-N 3.42Å; N317-T333 PolarHBondContact O-OG1 3.24Å; F319-T333 HydrophobicContact CD1-CG2 4.05Å; F319-T333 HydrophobicContact CE1-CG2 3.65Å; T333-D335 VanDerWaalsContact C-N 3.33Å; T333-D335 PolarHBondContact OG1-O 2.96Å; T333-Q338 HydrophobicContact CG2-CB 4.41Å; T333-K339 HydrophobicContact CG2-CB 4.18Å; T333-K339 PolarHBondContact OG1-N 3.41Å
334I88.7Confident92.3Very high139 Ų13950.4 Ų50.471%0.71328%0.283SS*.SBendtrans-66.5-37.1179.7-61.9170.4000111.5
335D91.2Very high92.4Very high62 Ų6246.7 Ų46.733%0.33227%0.268SS..SBendtrans-155.7160-175.953.856.2000109.9T333 L337 Q338 K339T333-D335 VanDerWaalsContact C-N 3.33Å; T333-D335 PolarHBondContact OG1-O 2.96Å; D335-L337 PolarHBondContact O-N 3.26Å; D335-L337 VanDerWaalsContact O-N 3.16Å; D335-L337 WeakPolarHBondContact OD1-CB 3.44Å; D335-L337 PolarHBondContact OD1-N 3.03Å; D335-Q338 PolarHBondContact O-N 2.91Å; D335-Q338 WeakPolarHBondContact OD1-CG 3.29Å; D335-Q338 PolarHBondContact OD1-N 2.74Å; D335-K339 PolarHBondContact O-N 3.3Å; D335-K339 VanDerWaalsContact O-N 3.11Å
336S91.3Very high92.8Very high37 Ų3740.9 Ų40.926%0.25924%0.237SC..Hα-helixtrans-57.6-27.9178.437.60000114D316 K339 H340D316-S336 WeakPolarHBondContact O-CB 3.45Å; D316-S336 WeakPolarHBondContact OD2-CB 3.36Å; D316-S336 PolarHBondContact OD2-OG 3.22Å; S336-K339 WeakPolarHBondContact O-CB 3.18Å; S336-K339 PolarHBondContact O-N 2.75Å; S336-H340 PolarHBondContact O-CD2 3.11Å; S336-H340 PolarHBondContact O-N 3.14Å
337L91.3Very high93.1Very high105 Ų10542 Ų4255%0.5523%0.227SC..Hα-helixtrans-67.1-37.5174.3179.164.3000111.8D335 S341D335-L337 PolarHBondContact O-N 3.26Å; D335-L337 VanDerWaalsContact O-N 3.16Å; D335-L337 WeakPolarHBondContact OD1-CB 3.44Å; D335-L337 PolarHBondContact OD1-N 3.03Å; L337-S341 WeakPolarHBondContact O-CB 3.43Å; L337-S341 PolarHBondContact O-N 3.43Å
338Q91.1Very high93Very high32 Ų3244.1 Ų44.115%0.1525%0.25CS..Hα-helixtrans-68.5-38.3170.4-72.8-48-81.900112.4T333 D335 S341 W342T333-Q338 HydrophobicContact CG2-CB 4.41Å; D335-Q338 PolarHBondContact O-N 2.91Å; D335-Q338 WeakPolarHBondContact OD1-CG 3.29Å; D335-Q338 PolarHBondContact OD1-N 2.74Å; Q338-S341 PolarHBondContact O-N 3.33Å; Q338-W342 WeakPolarHBondContact O-CB 3.43Å; Q338-W342 VanDerWaalsContact O-CD1 3.23Å; Q338-W342 PolarHBondContact O-N 2.86Å
339K94.8Very high92.7Very high18 Ų1842.7 Ų42.78%0.07825%0.245CC..Hα-helixtrans-56.4-53.6170.5174.1-152.566.7-174.90111.2T306 D316 T318 F319 T333 D335 S336 S341 W342 V343T306-K339 HydrophobicContact CG2-CD 3.69Å; T306-K339 HydrophobicContact CG2-CG 4.3Å; D316-K339 VanDerWaalsContact O-CD 3.23Å; D316-K339 WeakPolarHBondContact O-CD 3.27Å; D316-K339 VanDerWaalsContact O-CE 3.25Å; D316-K339 WeakPolarHBondContact O-CE 3.37Å; D316-K339 PolarHBondContact O-NZ 3.29Å; T318-K339 WeakPolarHBondContact O-CD 3.43Å; F319-K339 HydrophobicContact CB-CG 3.96Å; F319-K339 HydrophobicContact CD1-CB 4.49Å; F319-K339 HydrophobicContact CD1-CG 4.02Å; F319-K339 HydrophobicContact CG-CG 4.44Å; T333-K339 HydrophobicContact CG2-CB 4.18Å; T333-K339 PolarHBondContact OG1-N 3.41Å; D335-K339 PolarHBondContact O-N 3.3Å; D335-K339 VanDerWaalsContact O-N 3.11Å; S336-K339 WeakPolarHBondContact O-CB 3.18Å; S336-K339 PolarHBondContact O-N 2.75Å; K339-S341 VanDerWaalsContact C-N 3.34Å; K339-S341 PolarHBondContact O-N 2.81Å; K339-W342 PolarHBondContact O-N 3.14Å; K339-V343 WeakPolarHBondContact O-CG2 3.27Å; K339-V343 PolarHBondContact O-N 3.26Å
340H93.7Very high92.1Very high101 Ų10143.6 Ų43.647%0.46825%0.253SS..Hα-helixtrans-63.4-37.8-178.5-73.9-66.7000112.6S336 A344S336-H340 PolarHBondContact O-CD2 3.11Å; S336-H340 PolarHBondContact O-N 3.14Å; H340-A344 WeakPolarHBondContact O-CB 3.4Å; H340-A344 PolarHBondContact O-N 2.63Å; H340-A344 VanDerWaalsContact O-N 3.07Å
341S94.3Very high90.4Very high37 Ų3749.2 Ų49.226%0.25928%0.283SS..Hα-helixtrans-62.4-54.4171.3-178.70000111.5R241 L337 Q338 K339 V343 A344 D345R241-S341 PolarHBondContact NH2-OG 3.42Å; L337-S341 WeakPolarHBondContact O-CB 3.43Å; L337-S341 PolarHBondContact O-N 3.43Å; Q338-S341 PolarHBondContact O-N 3.33Å; K339-S341 VanDerWaalsContact C-N 3.34Å; K339-S341 PolarHBondContact O-N 2.81Å; S341-V343 VanDerWaalsContact C-N 3.26Å; S341-V343 PolarHBondContact O-N 3.04Å; S341-A344 PolarHBondContact O-N 3.45Å; S341-A344 VanDerWaalsContact O-N 3.09Å; S341-D345 WeakPolarHBondContact O-CB 3.25Å; S341-D345 PolarHBondContact O-N 2.88Å; S341-D345 PolarHBondContact OG-OD2 2.99Å
342W95.8Very high88.5Confident3 Ų351.8 Ų51.81%0.01130%0.3CS..Hα-helixtrans-55.9-39.8179.3-87.7111.1000113R241 L245 L268 L270 F319 Q338 K339 I346R241-W342 HydrophobicContact CB-CH2 4.03Å; R241-W342 HydrophobicContact CB-CZ3 3.97Å; R241-W342 HydrophobicContact CG-CH2 4.04Å; R241-W342 HydrophobicContact CG-CZ2 4.3Å; R241-W342 HydrophobicContact CG-CZ3 4.17Å; R241-W342 VanDerWaalsContact NH1-CE2 3.26Å; R241-W342 VanDerWaalsContact NH1-NE1 3.2Å; L245-W342 HydrophobicContact CD1-CD2 4.36Å; L245-W342 HydrophobicContact CD1-CZ2 4.19Å; L268-W342 HydrophobicContact CB-CH2 3.95Å; L268-W342 HydrophobicContact CB-CZ2 4.28Å; L268-W342 HydrophobicContact CB-CZ3 4.48Å; L268-W342 HydrophobicContact CD2-CD2 4.27Å; L268-W342 HydrophobicContact CD2-CE3 3.8Å; L268-W342 HydrophobicContact CD2-CH2 3.87Å; L268-W342 HydrophobicContact CD2-CZ2 4.3Å; L268-W342 HydrophobicContact CD2-CZ3 3.59Å; L268-W342 HydrophobicContact CG-CH2 3.98Å; L268-W342 HydrophobicContact CG-CZ3 4.01Å; L270-W342 HydrophobicContact CB-CZ3 4.27Å; F319-W342 HydrophobicContact CE1-CB 3.77Å; F319-W342 HydrophobicContact CE1-CG 4.27Å; F319-W342 HydrophobicContact CZ-CB 3.74Å; F319-W342 HydrophobicContact CZ-CG 4.24Å; Q338-W342 WeakPolarHBondContact O-CB 3.43Å; Q338-W342 VanDerWaalsContact O-CD1 3.23Å; Q338-W342 PolarHBondContact O-N 2.86Å; K339-W342 PolarHBondContact O-N 3.14Å; W342-I346 HydrophobicContact CE3-CD1 4.22Å; W342-I346 HydrophobicContact CE3-CG1 4.45Å; W342-I346 WeakPolarHBondContact O-CB 3.23Å; W342-I346 WeakPolarHBondContact O-CD1 3.22Å; W342-I346 WeakPolarHBondContact O-CG1 3.43Å; W342-I346 PolarHBondContact O-N 2.85Å
343V95.6Very high86Confident11 Ų1154 Ų547%0.06733%0.33CS..Hα-helixtrans-61.5-51.3175165.60000110.9V304 F319 K339 S341 I346 Q347V304-V343 HydrophobicContact CG1-CB 4.43Å; V304-V343 HydrophobicContact CG1-CG1 4.16Å; V304-V343 HydrophobicContact CG1-CG2 4.29Å; F319-V343 HydrophobicContact CB-CG2 3.73Å; F319-V343 HydrophobicContact CD2-CG2 4.05Å; F319-V343 HydrophobicContact CG-CG2 3.88Å; K339-V343 WeakPolarHBondContact O-CG2 3.27Å; K339-V343 PolarHBondContact O-N 3.26Å; S341-V343 VanDerWaalsContact C-N 3.26Å; S341-V343 PolarHBondContact O-N 3.04Å; V343-I346 PolarHBondContact O-N 3.29Å; V343-Q347 HydrophobicContact CG1-CG 4.43Å; V343-Q347 WeakPolarHBondContact O-CB 3.32Å; V343-Q347 VanDerWaalsContact O-CG 3.25Å; V343-Q347 WeakPolarHBondContact O-CG 3.49Å; V343-Q347 PolarHBondContact O-N 3.33Å
344A93.1Very high83.4Confident54 Ų5459.5 Ų59.545%0.44636%0.359SS..Hα-helixtrans-65.1-41.1179.600000113.1H340 S341 I346 Q347 G348H340-A344 WeakPolarHBondContact O-CB 3.4Å; H340-A344 PolarHBondContact O-N 2.63Å; H340-A344 VanDerWaalsContact O-N 3.07Å; S341-A344 PolarHBondContact O-N 3.45Å; S341-A344 VanDerWaalsContact O-N 3.09Å; A344-I346 VanDerWaalsContact C-N 3.32Å; A344-I346 PolarHBondContact O-N 2.9Å; A344-Q347 PolarHBondContact O-N 3.06Å; A344-G348 PolarHBondContact O-N 3.47Å
345D93.3Very high80.9Confident60 Ų6058.8 Ų58.832%0.32137%0.366SS..Hα-helixtrans-66.4-34.1-179.6-63.7-45000111.5R241 L270 S341 C349R241-D345 VanDerWaalsContact CD-OD2 3.28Å; R241-D345 WeakPolarHBondContact CD-OD2 3.12Å; R241-D345 IonicContact CZ-OD2 2.75Å; R241-D345 IonicContact NE-OD2 2.8Å; R241-D345 PolarHBondContact NE-OD2 3.19Å; R241-D345 IonicContact NH2-OD2 2.93Å; L270-D345 HydrophobicContact CD2-CB 4.45Å; L270-D345 VanDerWaalsContact CD2-O 3.29Å; L270-D345 WeakPolarHBondContact CD2-O 3.03Å; S341-D345 WeakPolarHBondContact O-CB 3.25Å; S341-D345 PolarHBondContact O-N 2.88Å; S341-D345 PolarHBondContact OG-OD2 2.99Å; D345-C349 PolarHBondContact O-SG 2.88Å
346I93.6Very high78.8Confident0 Ų065 Ų650%039%0.393CS..Hα-helixtrans-76.1-50173-65167.4000110.6L270 L281 L298 I301 V304 F319 L321 W342 V343 A344 G348 C349 V350L270-I346 HydrophobicContact CD2-CG1 4.21Å; L281-I346 HydrophobicContact CD1-CD1 4.33Å; L281-I346 HydrophobicContact CD1-CG1 4.49Å; L281-I346 HydrophobicContact CD2-CD1 4.18Å; L298-I346 HydrophobicContact CD2-CG2 4.34Å; I301-I346 HydrophobicContact CD1-CG2 4.37Å; V304-I346 HydrophobicContact CG1-CG2 4.49Å; V304-I346 HydrophobicContact CG2-CG2 3.92Å; F319-I346 HydrophobicContact CE2-CD1 4.12Å; F319-I346 HydrophobicContact CZ-CD1 4.47Å; L321-I346 HydrophobicContact CD1-CD1 4.37Å; L321-I346 HydrophobicContact CD2-CD1 4.13Å; L321-I346 HydrophobicContact CD2-CG2 4.48Å; W342-I346 HydrophobicContact CE3-CD1 4.22Å; W342-I346 HydrophobicContact CE3-CG1 4.45Å; W342-I346 WeakPolarHBondContact O-CB 3.23Å; W342-I346 WeakPolarHBondContact O-CD1 3.22Å; W342-I346 WeakPolarHBondContact O-CG1 3.43Å; W342-I346 PolarHBondContact O-N 2.85Å; V343-I346 PolarHBondContact O-N 3.29Å; A344-I346 VanDerWaalsContact C-N 3.32Å; A344-I346 PolarHBondContact O-N 2.9Å; I346-G348 PolarHBondContact O-N 2.9Å; I346-C349 CarbonylContact O-C 3.48Å; I346-C349 WeakPolarHBondContact O-CA 3.21Å; I346-C349 PolarHBondContact O-N 2.87Å; I346-V350 HydrophobicContact CG2-CG2 4.17Å; I346-V350 WeakPolarHBondContact O-CG2 3.38Å; I346-V350 PolarHBondContact O-N 2.86Å; I346-V350 VanDerWaalsContact O-N 3.1Å
347Q91.4Very high76.4Confident81 Ų8172.5 Ų72.538%0.37942%0.424SS..Hα-helixtrans-56.9-46.5-179.5-75.7171.6-20.100111.9V304 V343 A344 C349 V350 D351V304-Q347 HydrophobicContact CB-CG 3.91Å; V304-Q347 HydrophobicContact CG1-CG 4.01Å; V304-Q347 PolarHBondContact O-NE2 3.25Å; V343-Q347 HydrophobicContact CG1-CG 4.43Å; V343-Q347 WeakPolarHBondContact O-CB 3.32Å; V343-Q347 VanDerWaalsContact O-CG 3.25Å; V343-Q347 WeakPolarHBondContact O-CG 3.49Å; V343-Q347 PolarHBondContact O-N 3.33Å; A344-Q347 PolarHBondContact O-N 3.06Å; Q347-C349 PolarHBondContact O-N 3.28Å; Q347-V350 PolarHBondContact O-N 3.02Å; Q347-D351 PolarHBondContact O-N 2.93Å
348G87Confident73.8Confident63 Ų6373.9 Ų73.965%0.64943%0.432SS*.Hα-helixtrans-65.4-2.2175.100000115.5A344 I346A344-G348 PolarHBondContact O-N 3.47Å; I346-G348 PolarHBondContact O-N 2.9Å
349C85.6Confident71.4Confident15 Ų1578.8 Ų78.810%0.10147%0.465CS..Hα-helixtrans-114.1-6.6170.3-63.50000113.3F279 L298 D345 I346 Q347F279-C349 HydrophobicContact CB-CB 4.41Å; F279-C349 HydrophobicContact CD1-CB 4.35Å; F279-C349 HydrophobicContact CD2-CB 3.73Å; F279-C349 WeakPolarHBondContact CD2-O 3.25Å; F279-C349 HydrophobicContact CE2-CB 4.04Å; F279-C349 HydrophobicContact CG-CB 3.92Å; F279-C349 HydrophobicContact CZ-CB 4.5Å; L298-C349 HydrophobicContact CD2-CB 3.37Å; D345-C349 PolarHBondContact O-SG 2.88Å; I346-C349 CarbonylContact O-C 3.48Å; I346-C349 WeakPolarHBondContact O-CA 3.21Å; I346-C349 PolarHBondContact O-N 2.87Å; Q347-C349 PolarHBondContact O-N 3.28Å
350V80.1Confident68.7Low45 Ų4586 Ų8627%0.27350%0.499SS..Hα-helixtrans-88-31176.3168.70000111.5L298 I346 Q347 P352L298-V350 HydrophobicContact CB-CG2 4.16Å; L298-V350 HydrophobicContact CD2-CG2 3.88Å; L298-V350 HydrophobicContact CG-CG2 4Å; I346-V350 HydrophobicContact CG2-CG2 4.17Å; I346-V350 WeakPolarHBondContact O-CG2 3.38Å; I346-V350 PolarHBondContact O-N 2.86Å; I346-V350 VanDerWaalsContact O-N 3.1Å; Q347-V350 PolarHBondContact O-N 3.02Å; V350-P352 VanDerWaalsContact C-CD 3.49Å; V350-P352 WeakPolarHBondContact O-CD 3.44Å
351D58.7Low65.7Low136 Ų13689.5 Ų89.573%0.72752%0.52SS*.  trans-89103.7177.5-79.2-55.6000113.4Q347Q347-D351 PolarHBondContact O-N 2.93Å
352P57.3Low62.6Low55 Ų5592.7 Ų92.736%0.35754%0.542SS..  trans-128.267.1148.639-29000110.3R278 V350 D354R278-P352 VanDerWaalsContact CZ-CB 3.46Å; R278-P352 VanDerWaalsContact NH1-CB 3.28Å; V350-P352 VanDerWaalsContact C-CD 3.49Å; V350-P352 WeakPolarHBondContact O-CD 3.44Å; P352-D354 PolarHBondContact O-N 2.84Å; P352-D354 VanDerWaalsContact O-N 3.16Å
353G43.7Very low59.3Low72 Ų7297.7 Ų97.774%0.74258%0.577SS**  trans-62.6114.4173.800000111.1
354D39.7Very low56.2Low123 Ų123103.3 Ų103.366%0.65861%0.611SS**  trans-67.5151.2171.3-68.3-54.1000110.5R278 P352R278-D354 IonicContact NH2-OD1 3.93Å; P352-D354 PolarHBondContact O-N 2.84Å; P352-D354 VanDerWaalsContact O-N 3.16Å
355S37.4Very low53.2Low124 Ų124112.4 Ų112.487%0.86763%0.634SS**  trans-145.773.7169.7-69.70000107.6E357S355-E357 PolarHBondContact O-N 2.9Å
356E45.8Very low50.2Low193 Ų193113.6 Ų113.690%0.90266%0.66SS**  trans-72.1102.2171.1-62.1-173.7124.800109.1
357E40.4Very low47.2Very low194 Ų194117 Ų11791%0.90770%0.695SS**  trans-124136.3151.9-164.9171109.800108.6S355S355-E357 PolarHBondContact O-N 2.9Å
358D37.8Very low44.4Very low134 Ų134119.2 Ų119.272%0.71772%0.718SS**  trans-91.2125.7-162-177.312.7000112.3
359T41Very low41.7Very low136 Ų136124.4 Ų124.483%0.83473%0.73SS**  trans-152.7101.7153.7-640000108.9L361T359-L361 PolarHBondContact O-N 3.49Å
360E37.5Very low39.1Very low169 Ų169128.4 Ų128.479%0.7976%0.764SS**  trans-55.1133.8168.3-66-168.2106.900112
361L30.7Very low36.6Very low175 Ų175132.1 Ų132.192%0.91679%0.792SS**  -164.5107.8125.1-105.2173.6000110.4T359T359-L361 PolarHBondContact O-N 3.49Å
362S29.5Very low35.5Very low104 Ų104137 Ų13773%0.72780%0.8SS**  trans-81.9138.6179.8179.10000112.2
363C26.5Very low34.4Very low108 Ų108141.3 Ų141.373%0.7383%0.826SS**  -170.3108.4125.6-99.10000114.7
364T30.9Very low33.7Very low129 Ų129142.3 Ų142.379%0.79183%0.827SS**  trans59.6142.1138.965.90000122.8
365R30.5Very low33.4Very low244 Ų244142 Ų14292%0.92183%0.834SS**  trans87.659.8150-149.9174.1-170.1158.72119
366G29.2Very low32.8Very low85 Ų85142.1 Ų142.188%0.87683%0.834SS**  trans-14.3145.2156.600000121.9
367G31.4Very low31.9Very low71 Ų71138.4 Ų138.473%0.73283%0.829SS**  trans162114.2162.500000111.4
368C31.6Very low31.4Very low128 Ų128134.7 Ų134.787%0.86582%0.823SS**  trans61.9122.9170.2-58.80000118.4
369L31.6Very low31.4Very low173 Ų173135.4 Ų135.491%0.90682%0.822SS**  -174120.8108.5-96173.2000109.4
370A29.6Very low30.8Very low98 Ų98135.5 Ų135.581%0.8182%0.817SS**PPolyproline II helixtrans-80.5127.7170.700000109.3
371S28.5Very low30.6Very low123 Ų123134.8 Ų134.886%0.8682%0.817SS**PPolyproline II helixtrans-70.6159.7-175.1-162.30000112.8
372R34.6Very low30.5Very low239 Ų239133.9 Ų133.990%0.90282%0.819SS**PPolyproline II helixtrans-86144-177.5-66.2179.6175.6-176.1-1111.3
373V34.1Very low30.6Very low146 Ų146136.6 Ų136.689%0.88583%0.826SS**PPolyproline II helixtrans-70.3131.3171.6177.60000109.9
374A29.7Very low30.7Very low93 Ų93135 Ų13577%0.76982%0.821SS**PPolyproline II helixtrans-82147.3169.200000110.9
375S32.7Very low30.8Very low116 Ų116135 Ų13581%0.81182%0.82SS**PPolyproline II helixtrans-95.6145.4174.2-175.20000110.6
376C25.1Very low30.6Very low127 Ų127130.9 Ų130.986%0.85882%0.816SS**PPolyproline II helixtrans-69.4154.7174.5-53.80000112.2
377S28Very low30.6Very low115 Ų115134.2 Ų134.280%0.80481%0.813SS**  trans-118.7161.2176.9-61.60000111.2
378C28Very low30.9Very low116 Ų116136.3 Ų136.378%0.78481%0.814SS**  trans169.7140.9160.5-95.40000106.1
379E38Very low30.6Very low149 Ų149141.4 Ų141.470%0.69682%0.815SS**  cis-147.7163.224.1-90.4-59.582.600114
380L29.1Very low31.4Very low138 Ų138138.7 Ų138.772%0.72381%0.808SS**  trans66.191.2144.8-70.4163.5000123.9
381L32.7Very low32.2Very low153 Ų153139.6 Ų139.680%0.80181%0.805SS**  34.8122121.7-59.4176.4000122.6
382T30.3Very low32.1Very low156 Ų156142 Ų14296%0.95780%0.803SS**  -159.5170.6114.57.20000110.7
383D29.9Very low31.8Very low162 Ų162138.4 Ų138.487%0.86680%0.798SS**  trans-113.3166.6-156.8-159-0.8000114.9
384A30Very low31.5Very low75 Ų75137 Ų13762%0.6279%0.79SS**  trans83102.9156.800000122.7
385V31.5Very low31.4Very low129 Ų129136.8 Ų136.878%0.78279%0.789SS**  82.2122123.91770000122.2
386D27.6Very low31.3Very low156 Ų156138.5 Ų138.583%0.83480%0.795SS**  trans75.9154.4152.2-87.2-44.2000125.8
387L28.1Very low31.3Very low156 Ų156136.4 Ų136.482%0.81780%0.795SS**  trans-103.3176.5-177.8-116.768.1000111.2
388P38.7Very low31.4Very low115 Ų115135.5 Ų135.575%0.74779%0.794SS**  cis-134.8-170.6-7.735.5-13.8000115.5
389R25.3Very low31.5Very low234 Ų234136.5 Ų136.588%0.88380%0.796SS**  trans-51.7163.6166.5-91.4-176167.7103.9-4.9113.9
390P48.4Very low31.2Very low116 Ų116135.9 Ų135.975%0.75380%0.802SS**  cis-132.3-145.223.743.9-23.8000111.9
391P46.1Very low31.1Very low117 Ų117134.9 Ų134.976%0.7680%0.802SS**  cis-132.3-92-11.934.5-10.4000116.6
392E26.9Very low30.9Very low174 Ų174132 Ų13281%0.81380%0.801SS**  trans-136.6165.9-165-61.8177105.700109
393M28.7Very low31.3Very low163 Ų163130.4 Ų130.480%0.80379%0.793SS**  cis-173.8160.147.8-163.9-175.5-168.200112.3
394T27.8Very low31.3Very low116 Ų116131.9 Ų131.971%0.71279%0.794SS**  trans60105.6158.133.60000122.8
395A27.5Very low31.4Very low90 Ų90133.9 Ų133.974%0.74480%0.803SS**  34.3124.6122.800000122.7
396T28.7Very low31.4Very low152 Ų152139.7 Ų139.793%0.93381%0.811SS**  -161.9159.5109.9130000110.2
397G25.7Very low31.5Very low83 Ų83135.4 Ų135.486%0.85680%0.803SS**  trans-102.6160.1-17100000114.8
398A31Very low31.6Very low96 Ų96139.5 Ų139.579%0.79381%0.808SS**  trans-135.4121.3166.500000110
399V29.2Very low31.2Very low136 Ų136141.4 Ų141.482%0.82481%0.812SS**  trans-82.5126168.4169.70000108.2T401V399-T401 HydrophobicContact CG1-CG2 3.97Å
400V31.9Very low31.4Very low137 Ų137134.8 Ų134.883%0.8381%0.807SS**  trans-125119.4164.8-179.10000108
401T27.2Very low30.7Very low116 Ų116134.8 Ų134.871%0.71281%0.805SS**  trans-102.4155.8-179.644.20000111.8V399V399-T401 HydrophobicContact CG1-CG2 3.97Å
402A27.7Very low30.1Very low94 Ų94140.6 Ų140.678%0.77781%0.812SS**  trans72.6164163.100000117.2
403P40Very low30.6Very low121 Ų121137.4 Ų137.479%0.78680%0.797SS**  cis-116.7172.3-5.724.3-3.1000114.4
404H30.3Very low31.3Very low194 Ų194134.1 Ų134.190%0.89879%0.79SS**  trans-75.4143.2169.2-66.359.7000110.6
405S30.5Very low32.7Very low116 Ų116131 Ų13181%0.81177%0.769SS**  trans-126.8121.3150.951.40000110
406R32.8Very low34.9Very low252 Ų252131.4 Ų131.495%0.95176%0.757SS**  trans-58.9141.7152-72.6170.7166.5163.4-7.9106.3
407G28.6Very low37.7Very low65 Ų65127.7 Ų127.767%0.6773%0.729SS**  cis120.6112.722.500000107.3
408R30.7Very low40.8Very low243 Ų243125 Ų12592%0.91770%0.696SS**  trans-129.5103.6167.5-82.5-173.366.9-166.90107.2A410R408-A410 PolarHBondContact O-N 3.39Å
409D30.8Very low43.7Very low155 Ų155123.6 Ų123.683%0.82968%0.679SS**  trans-61.4102.5169.2-62.9-81.9000109.4V411D409-V411 PolarHBondContact O-N 3.36Å
410A29.6Very low46.6Very low95 Ų95117.1 Ų117.179%0.78564%0.64SS**  trans-76.496.6157.900000106.3R408 R412R408-A410 PolarHBondContact O-N 3.39Å; A410-R412 PolarHBondContact O-N 3.49Å
411V32.8Very low49.2Very low115 Ų115115.5 Ų115.570%0.69762%0.623SS**  trans-51.1108.6-179.2176.30000109.2D409 E413D409-V411 PolarHBondContact O-N 3.36Å; V411-E413 PolarHBondContact O-N 2.81Å
412R34Very low52Low239 Ų239113.5 Ų113.590%0.90261%0.611SS**  trans-79.273.2176-168.9-177.7-171.9176.93.6108.4A410 S414A410-R412 PolarHBondContact O-N 3.49Å; R412-S414 PolarHBondContact O-N 2.74Å
413E37.6Very low54.8Low107 Ų107110.3 Ų110.350%0.558%0.579SS.*  trans-51.7103.2176-164.364.8-120.500109V411 L415 Q563V411-E413 PolarHBondContact O-N 2.81Å; E413-L415 HydrophobicContact CG-CD2 4.34Å; E413-L415 PolarHBondContact O-N 2.8Å; E413-Q563 PolarHBondContact OE1-NE2 3.23Å
414S42.3Very low57Low95 Ų95105.1 Ų105.166%0.66455%0.545SS*.  trans-80.577.2-172.6-179.80000109.1R412 I416R412-S414 PolarHBondContact O-N 2.74Å; S414-I416 VanDerWaalsContact O-CG1 3.29Å; S414-I416 WeakPolarHBondContact O-CG1 3.48Å; S414-I416 PolarHBondContact O-N 3.45Å
415L57.4Low59.3Low50 Ų50100.6 Ų100.626%0.26252%0.524SS..  trans-49.8105.5178.7-66.4179.9000110.4E413 H417 L475 A478 V560E413-L415 HydrophobicContact CG-CD2 4.34Å; E413-L415 PolarHBondContact O-N 2.8Å; L415-H417 PolarHBondContact O-N 3.42Å; L415-L475 HydrophobicContact CD1-CD2 3.66Å; L415-L475 HydrophobicContact CD2-CD2 3.67Å; L415-L475 HydrophobicContact CG-CD2 4.34Å; L415-A478 HydrophobicContact CD1-CB 4Å; L415-V560 HydrophobicContact CB-CG1 4.4Å; L415-V560 HydrophobicContact CD2-CG1 4.3Å
416I74.6Confident61.6Low99 Ų9999.8 Ų99.851%0.50852%0.515SS..  trans-75.497.1-175.6-51.5-178.6000107.7S414 V418 R561S414-I416 VanDerWaalsContact O-CG1 3.29Å; S414-I416 WeakPolarHBondContact O-CG1 3.48Å; S414-I416 PolarHBondContact O-N 3.45Å; I416-V418 HydrophobicContact CG2-CG2 3.87Å; I416-V418 PolarHBondContact O-N 2.9Å; I416-R561 HydrophobicContact CB-CB 4.33Å; I416-R561 PolarHBondContact O-N 2.78Å
417H87.3Confident63.4Low73 Ų7391.7 Ų91.734%0.33849%0.49SS..EExtended strand (participates in β ladder)trans-76.2114.6168.4-53143.4000108.5L415 N483 L486 Y559L415-H417 PolarHBondContact O-N 3.42Å; H417-N483 PolarHBondContact CE1-ND2 2.88Å; H417-L486 HydrophobicContact CB-CD1 4.2Å; H417-Y559 WeakPolarHBondContact CA-O 3.14Å
418V90.4Very high64.8Low27 Ų2793.7 Ų93.716%0.16448%0.481CS..EExtended strand (participates in β ladder)trans-104.8131-179.4-174.30000108.9I416 L420 S558 Y559 R561I416-V418 HydrophobicContact CG2-CG2 3.87Å; I416-V418 PolarHBondContact O-N 2.9Å; V418-L420 PolarHBondContact O-N 2.95Å; V418-S558 CarbonylContact O-C 3.56Å; V418-S558 WeakPolarHBondContact O-CA 3.44Å; V418-S558 WeakPolarHBondContact O-CB 3.07Å; V418-Y559 HydrophobicContact CB-CD1 4.27Å; V418-Y559 HydrophobicContact CB-CD2 4.36Å; V418-Y559 HydrophobicContact CB-CE1 3.76Å; V418-Y559 HydrophobicContact CB-CE2 3.87Å; V418-Y559 HydrophobicContact CG1-CE1 3.84Å; V418-Y559 HydrophobicContact CG1-CE2 4.45Å; V418-Y559 WeakPolarHBondContact CG1-OH 3.26Å; V418-Y559 HydrophobicContact CG2-CE2 4.11Å; V418-Y559 PolarHBondContact N-O 3.15Å; V418-Y559 WeakPolarHBondContact O-CD1 3.08Å; V418-Y559 PolarHBondContact O-N 2.8Å; V418-R561 HydrophobicContact CG2-CB 4.2Å
419P92.1Very high65.3Low67 Ų6786.5 Ų86.544%0.43547%0.468SS..EExtended strand (participates in β ladder)trans-57.1136172.8-23.234000111.5E421P419-E421 VanDerWaalsContact C-N 3.32Å; P419-E421 PolarHBondContact O-N 3.39Å
420L89.6Confident66.2Low0 Ų085.4 Ų85.40%047%0.47CS..Hα-helixtrans-66.2-38.8179.6176.356000111V418 T422 F423 L424 F487 L536 H540 L556 R557V418-L420 PolarHBondContact O-N 2.95Å; L420-T422 VanDerWaalsContact C-N 3.34Å; L420-T422 PolarHBondContact O-N 3.18Å; L420-F423 HydrophobicContact CD1-CD1 4.36Å; L420-F423 WeakPolarHBondContact O-CB 3.32Å; L420-F423 PolarHBondContact O-N 2.87Å; L420-F423 VanDerWaalsContact O-N 3.08Å; L420-L424 HydrophobicContact CD1-CD1 4.41Å; L420-L424 HydrophobicContact CD1-CD2 4.32Å; L420-L424 HydrophobicContact CD1-CG 4.09Å; L420-L424 HydrophobicContact CD2-CD1 4.49Å; L420-L424 HydrophobicContact CG-CD1 3.99Å; L420-L424 HydrophobicContact CG-CG 4.16Å; L420-L424 WeakPolarHBondContact O-CG 3.21Å; L420-L424 PolarHBondContact O-N 3.45Å; L420-F487 HydrophobicContact CB-CE1 4.36Å; L420-F487 HydrophobicContact CD1-CE1 4.36Å; L420-F487 HydrophobicContact CD1-CZ 4.07Å; L420-F487 HydrophobicContact CD2-CE1 3.88Å; L420-F487 HydrophobicContact CD2-CZ 4.17Å; L420-F487 HydrophobicContact CG-CE1 4.43Å; L420-L536 HydrophobicContact CD2-CB 4.42Å; L420-H540 HydrophobicContact CD2-CB 3.96Å; L420-L556 HydrophobicContact CD2-CB 3.84Å; L420-R557 PolarHBondContact N-O 2.89Å
421E87.3Confident66.6Low103 Ų10384.8 Ų84.848%0.48147%0.472SS..Hα-helixtrans-52-46.9177.5-179.9171.3-159.700113.1P419 F423 L424 Q425P419-E421 VanDerWaalsContact C-N 3.32Å; P419-E421 PolarHBondContact O-N 3.39Å; E421-F423 VanDerWaalsContact C-N 3.25Å; E421-F423 PolarHBondContact O-N 2.86Å; E421-L424 PolarHBondContact O-N 3.06Å; E421-L424 VanDerWaalsContact O-N 3.08Å; E421-Q425 HydrophobicContact CG-CG 4.16Å; E421-Q425 VanDerWaalsContact CG-NE2 3.29Å; E421-Q425 WeakPolarHBondContact O-CB 3.47Å; E421-Q425 WeakPolarHBondContact O-CG 3.42Å; E421-Q425 PolarHBondContact O-N 2.94Å; E421-Q425 PolarHBondContact OE1-NE2 2.9Å
422T85.5Confident66.5Low73 Ų7383.1 Ų83.145%0.44848%0.479SS..Hα-helixtrans-59.3-36.7179.2-48.80000112.3L420 T426L420-T422 VanDerWaalsContact C-N 3.34Å; L420-T422 PolarHBondContact O-N 3.18Å; T422-T426 PolarHBondContact O-N 2.92Å; T422-T426 PolarHBondContact O-OG1 2.85Å
423F87Confident66.9Low27 Ų2777.9 Ų77.912%0.11848%0.479CS..Hα-helixtrans-71.2-41.6175176.9-98.2000111.9L420 E421 T426 L427 Y460 P461 W462 L533 Y559L420-F423 HydrophobicContact CD1-CD1 4.36Å; L420-F423 WeakPolarHBondContact O-CB 3.32Å; L420-F423 PolarHBondContact O-N 2.87Å; L420-F423 VanDerWaalsContact O-N 3.08Å; E421-F423 VanDerWaalsContact C-N 3.25Å; E421-F423 PolarHBondContact O-N 2.86Å; F423-T426 PolarHBondContact O-N 2.94Å; F423-L427 HydrophobicContact CD1-CD1 4.24Å; F423-L427 HydrophobicContact CE1-CD1 3.53Å; F423-L427 HydrophobicContact CE2-CD1 4.36Å; F423-L427 HydrophobicContact CZ-CD1 3.6Å; F423-L427 HydrophobicContact CZ-CG 4.4Å; F423-L427 PolarHBondContact O-N 2.84Å; F423-Y460 HydrophobicContact CE1-CD1 4.41Å; F423-Y460 AromaticContact CZ-CD1 3.74Å; F423-Y460 HydrophobicContact CZ-CD1 3.74Å; F423-Y460 HydrophobicContact CZ-CE1 4.11Å; F423-P461 HydrophobicContact CD2-CG 3.99Å; F423-P461 HydrophobicContact CE2-CG 3.85Å; F423-W462 AromaticContact CD1-NE1 3.91Å; F423-W462 AromaticContact CE1-CD1 3.9Å; F423-W462 AromaticContact CE1-NE1 3.26Å; F423-W462 VanDerWaalsContact CE1-NE1 3.26Å; F423-W462 AromaticContact CZ-NE1 3.58Å; F423-L533 HydrophobicContact CE1-CD1 3.97Å; F423-Y559 HydrophobicContact CB-CE1 3.86Å; F423-Y559 HydrophobicContact CG-CE1 4.34Å
424L85.1Confident66.5Low12 Ų1276.2 Ų76.26%0.06349%0.49CS..Hα-helixtrans-64.9-45.5177.8-63.4178.8000112L420 E421 T426 L427 E428 L533 R537 H540L420-L424 HydrophobicContact CD1-CD1 4.41Å; L420-L424 HydrophobicContact CD1-CD2 4.32Å; L420-L424 HydrophobicContact CD1-CG 4.09Å; L420-L424 HydrophobicContact CD2-CD1 4.49Å; L420-L424 HydrophobicContact CG-CD1 3.99Å; L420-L424 HydrophobicContact CG-CG 4.16Å; L420-L424 WeakPolarHBondContact O-CG 3.21Å; L420-L424 PolarHBondContact O-N 3.45Å; E421-L424 PolarHBondContact O-N 3.06Å; E421-L424 VanDerWaalsContact O-N 3.08Å; L424-T426 VanDerWaalsContact C-N 3.28Å; L424-T426 PolarHBondContact O-N 3.26Å; L424-L427 PolarHBondContact O-N 3.19Å; L424-L427 VanDerWaalsContact O-N 3.09Å; L424-E428 WeakPolarHBondContact O-CG 3.39Å; L424-E428 PolarHBondContact O-N 2.81Å; L424-L533 HydrophobicContact CD2-CD1 3.65Å; L424-R537 HydrophobicContact CD1-CG 4.15Å; L424-R537 HydrophobicContact CD2-CG 3.76Å; L424-H540 HydrophobicContact CD1-CB 4.25Å
425Q79.1Confident66.2Low99 Ų9976 Ų7646%0.46349%0.489SS..Hα-helixtrans-59.7-36176.3-70.6173.7-6.800112.7E421 L427 E428 S429E421-Q425 HydrophobicContact CG-CG 4.16Å; E421-Q425 VanDerWaalsContact CG-NE2 3.29Å; E421-Q425 WeakPolarHBondContact O-CB 3.47Å; E421-Q425 WeakPolarHBondContact O-CG 3.42Å; E421-Q425 PolarHBondContact O-N 2.94Å; E421-Q425 PolarHBondContact OE1-NE2 2.9Å; Q425-L427 VanDerWaalsContact C-N 3.27Å; Q425-L427 PolarHBondContact O-N 3.02Å; Q425-E428 PolarHBondContact O-N 3.36Å; Q425-S429 PolarHBondContact O-N 2.84Å; Q425-S429 PolarHBondContact O-OG 3.22Å; Q425-S429 VanDerWaalsContact O-OG 3.13Å
426T78.5Confident65.1Low100 Ų10081.8 Ų81.861%0.61352%0.52SS*.Hα-helixtrans-63.2-33.5176.7-58.50000111.9T422 F423 L424T422-T426 PolarHBondContact O-N 2.92Å; T422-T426 PolarHBondContact O-OG1 2.85Å; F423-T426 PolarHBondContact O-N 2.94Å; L424-T426 VanDerWaalsContact C-N 3.28Å; L424-T426 PolarHBondContact O-N 3.26Å
427L71.6Confident63.6Low81 Ų8181.9 Ų81.942%0.42453%0.529SS..THydrogen-bonded Turntrans-85.8-6178.7-63.6176.8000114F423 L424 Q425 L533F423-L427 HydrophobicContact CD1-CD1 4.24Å; F423-L427 HydrophobicContact CE1-CD1 3.53Å; F423-L427 HydrophobicContact CE2-CD1 4.36Å; F423-L427 HydrophobicContact CZ-CD1 3.6Å; F423-L427 HydrophobicContact CZ-CG 4.4Å; F423-L427 PolarHBondContact O-N 2.84Å; L424-L427 PolarHBondContact O-N 3.19Å; L424-L427 VanDerWaalsContact O-N 3.09Å; Q425-L427 VanDerWaalsContact C-N 3.27Å; Q425-L427 PolarHBondContact O-N 3.02Å; L427-L533 HydrophobicContact CD1-CD1 3.63Å; L427-L533 HydrophobicContact CD1-CD2 3.71Å; L427-L533 HydrophobicContact CD1-CG 4.35Å
428E57.4Low61.3Low107 Ų10785.2 Ų85.250%0.555%0.55SS..THydrogen-bonded Turntrans-111.40.2-174.3-74.8166.9-161.300113.2L424 Q425 P430 R537L424-E428 WeakPolarHBondContact O-CG 3.39Å; L424-E428 PolarHBondContact O-N 2.81Å; Q425-E428 PolarHBondContact O-N 3.36Å; E428-P430 VanDerWaalsContact O-CD 3.32Å; E428-P430 WeakPolarHBondContact O-CD 3.37Å; E428-R537 IonicContact OE1-CZ 2.96Å; E428-R537 IonicContact OE1-NE 2.74Å; E428-R537 PolarHBondContact OE1-NE 3.14Å; E428-R537 IonicContact OE1-NH2 3.39Å; E428-R537 PolarHBondContact OE1-NH2 2.84Å
429S42Very low58.8Low92 Ų9291 Ų9164%0.64358%0.579SS**  trans-85.3110.8178.1-64.90000111.8Q425 G431Q425-S429 PolarHBondContact O-N 2.84Å; Q425-S429 PolarHBondContact O-OG 3.22Å; Q425-S429 VanDerWaalsContact O-OG 3.13Å; S429-G431 PolarHBondContact O-N 2.61Å
430P49.4Very low56Low133 Ų13394.2 Ų94.286%0.86460%0.598SS**  trans-94.999.2-174.234.4-27.2000111.8E428E428-P430 VanDerWaalsContact O-CD 3.32Å; E428-P430 WeakPolarHBondContact O-CD 3.37Å
431G37.3Very low53.6Low81 Ų8197.6 Ų97.684%0.83563%0.633SS**  trans112.3113.1165.100000115.1S429S429-G431 PolarHBondContact O-N 2.61Å
432G31Very low51.1Low80 Ų80102.2 Ų102.283%0.82566%0.655SS**  trans-158.366.5175.500000110.4
433S41.7Very low49Very low130 Ų130108 Ų10891%0.90968%0.677SS**  trans-66.2132.8-177.4-171.60000111.5
434G30.8Very low46.6Very low71 Ų71110.6 Ų110.673%0.73271%0.711SS**  trans-154.630.5-179.800000113D436G434-D436 PolarHBondContact O-N 3.01Å
435S34.6Very low44.3Very low92 Ų92114.8 Ų114.864%0.64375%0.747SS**  trans-94.381.5176.5-166.30000111.3S437S435-S437 PolarHBondContact O-N 3.21Å; S435-S437 PolarHBondContact OG-OG 3.18Å
436D34.4Very low42.3Very low170 Ų170119.7 Ų119.791%0.90977%0.77SS**  trans-77.674.6169.1-76.9-35.6000110.4G434G434-D436 PolarHBondContact O-N 3.01Å
437S44.5Very low40.4Very low101 Ų101121.4 Ų121.471%0.70678%0.781SS**  trans-87.3122.7172.9-63.30000110.4S435S435-S437 PolarHBondContact O-N 3.21Å; S435-S437 PolarHBondContact OG-OG 3.18Å
438N38.7Very low38.6Very low143 Ų143124 Ų12477%0.76580%0.795SS**  trans-143.8109.8178.7-143.5-3.8000111.1
439N37.1Very low38.2Very low148 Ų148124.7 Ų124.779%0.79181%0.809SS**  trans63.8148.4179.5-58.6-30000116.3
440T33.8Very low38Very low136 Ų136128.9 Ų128.983%0.83482%0.818SS**  cis-136.4152.4-1.8-34.10000108.6
441G38.5Very low37.5Very low71 Ų71126.8 Ų126.873%0.73281%0.812SS**  trans-96.5154.6178.900000114.3
442E35.1Very low37.4Very low200 Ų200130 Ų13094%0.93581%0.806SS**  trans-149.2175.5159.2-121.4173.6158.700109.4
443E41.3Very low37.9Very low195 Ų195131.4 Ų131.491%0.91180%0.8SS**  trans-84.1146.8-154.1-60.7-177.898.600117.3
444G37Very low38Very low80 Ų80133.6 Ų133.683%0.82580%0.796SS**  76.794.712300000120.1
445A37.3Very low39.2Very low101 Ų101135 Ų13584%0.83579%0.786SS**  trans-143.4143.5148.600000109.5
446E36.7Very low40.9Very low202 Ų202136.5 Ų136.594%0.94478%0.783SS**  trans-80154.1-173.5-60.3-166111.200112.8
447T38.1Very low43.2Very low136 Ų136129.1 Ų129.183%0.83474%0.743SS**  trans-90.3114.5-174.9-39.30000111.2
448D34.8Very low45Very low135 Ų135128.3 Ų128.372%0.72274%0.738SS**  trans-90.3118.1169.1-174.913.1000110.2
449P48.7Very low47.2Very low121 Ų121127.6 Ų127.679%0.78673%0.733SS**  trans-99.627.2-173.540-35.7000114.3
450E38.2Very low49.6Very low180 Ų180124.5 Ų124.584%0.84171%0.711SS**  trans-113.334.8179.2-153.9161.3111.200114.7
451A37.8Very low52.3Low89 Ų89119.6 Ų119.674%0.73668%0.682SS**  trans-89.998.9155.300000109.3
452E35.9Very low54.9Low150 Ų150116.3 Ų116.370%0.70165%0.647SS**  trans-56.7134.4157.7-70.8-157.3137.600107.6E454E452-E454 VanDerWaalsContact C-N 3.3Å; E452-E454 PolarHBondContact O-N 2.88Å
453P40.9Very low57.7Low108 Ų108107.6 Ų107.670%0.70161%0.606SS**  trans-70.390.8178.928.3-33.6000109.1L455P453-L455 PolarHBondContact O-N 3.39Å; P453-L455 VanDerWaalsContact O-N 3.09Å
454E43.6Very low60.2Low177 Ų177100 Ų10083%0.82757%0.571SS**  trans-52.1119.6164.9-76.7-155.3113.100107.4E452 E456E452-E454 VanDerWaalsContact C-N 3.3Å; E452-E454 PolarHBondContact O-N 2.88Å; E454-E456 VanDerWaalsContact C-N 3.34Å; E454-E456 PolarHBondContact O-N 3.19Å
455L57.3Low62.8Low99 Ų9997.3 Ų97.352%0.51854%0.543SS..  trans-78.890.7-170.5-71.9162.1000109P453 L457P453-L455 PolarHBondContact O-N 3.39Å; P453-L455 VanDerWaalsContact O-N 3.09Å; L455-L457 PolarHBondContact O-N 2.93Å
456E70.3Confident65.3Low124 Ų12497.1 Ų97.158%0.57953%0.532SS*.  trans-66.274.3-179.2-62.2-159.1106.100111.6E454 S458 D459E454-E456 VanDerWaalsContact C-N 3.34Å; E454-E456 PolarHBondContact O-N 3.19Å; E456-S458 PolarHBondContact O-N 2.56Å; E456-D459 PolarHBondContact O-N 3.49Å; E456-D459 VanDerWaalsContact O-N 3.09Å
457L82.2Confident68Low16 Ų1688.1 Ų88.18%0.08449%0.49CS..G310 helixtrans-54.1-22.6167.3-69.2166.5000111.3L455 D459 Y460 W462 F463 Y499 L516 V532L455-L457 PolarHBondContact O-N 2.93Å; L457-D459 PolarHBondContact O-N 2.82Å; L457-Y460 WeakPolarHBondContact O-CB 3.48Å; L457-Y460 PolarHBondContact O-N 3.48Å; L457-W462 HydrophobicContact CD2-CH2 3.75Å; L457-W462 HydrophobicContact CD2-CZ3 4.17Å; L457-F463 HydrophobicContact CB-CD1 3.99Å; L457-F463 HydrophobicContact CB-CD2 4.3Å; L457-F463 HydrophobicContact CB-CE1 4.07Å; L457-F463 HydrophobicContact CB-CE2 4.43Å; L457-F463 HydrophobicContact CB-CG 4.07Å; L457-F463 HydrophobicContact CB-CZ 4.3Å; L457-F463 VanDerWaalsContact O-CB 3.22Å; L457-F463 WeakPolarHBondContact O-CB 3.33Å; L457-F463 WeakPolarHBondContact O-CD1 3.5Å; L457-F463 WeakPolarHBondContact O-CG 3.48Å; L457-Y499 HydrophobicContact CD1-CD1 3.95Å; L457-Y499 HydrophobicContact CD1-CE1 3.46Å; L457-Y499 VanDerWaalsContact CD1-CE1 3.46Å; L457-Y499 HydrophobicContact CD1-CE2 4.4Å; L457-L516 HydrophobicContact CD1-CD1 3.67Å; L457-V532 HydrophobicContact CD2-CB 4.38Å; L457-V532 HydrophobicContact CD2-CG2 4.16Å
458S82.1Confident70.6Confident84 Ų8483.7 Ų83.759%0.58747%0.465SS*.G310 helixtrans-41-41.1167.7-53.60000114.2E456 Y460E456-S458 PolarHBondContact O-N 2.56Å; S458-Y460 VanDerWaalsContact C-N 3.29Å; S458-Y460 PolarHBondContact O-N 2.86Å
459D84.6Confident73.3Confident127 Ų12784.5 Ų84.568%0.67946%0.458SS*.G310 helixtrans-75.6-17.9-176.2-74.9-1.3000113.4E456 L457E456-D459 PolarHBondContact O-N 3.49Å; E456-D459 VanDerWaalsContact O-N 3.09Å; L457-D459 PolarHBondContact O-N 2.82Å
460Y88.6Confident75.5Confident83 Ų8383.5 Ų83.533%0.32545%0.449SS..  trans-82.7124-171.1-72.7-98.9000110.8F423 L457 S458 W462 F463F423-Y460 HydrophobicContact CE1-CD1 4.41Å; F423-Y460 AromaticContact CZ-CD1 3.74Å; F423-Y460 HydrophobicContact CZ-CD1 3.74Å; F423-Y460 HydrophobicContact CZ-CE1 4.11Å; L457-Y460 WeakPolarHBondContact O-CB 3.48Å; L457-Y460 PolarHBondContact O-N 3.48Å; S458-Y460 VanDerWaalsContact C-N 3.29Å; S458-Y460 PolarHBondContact O-N 2.86Å; Y460-W462 AromaticContact CD1-CE2 3.6Å; Y460-W462 HydrophobicContact CD1-CH2 4.02Å; Y460-W462 AromaticContact CD1-CZ2 3.22Å; Y460-W462 HydrophobicContact CD1-CZ2 3.22Å; Y460-W462 AromaticContact CD1-NE1 3.76Å; Y460-W462 HydrophobicContact CE1-CZ2 4.01Å; Y460-W462 AromaticContact CG-CE2 3.94Å; Y460-W462 AromaticContact CG-CH2 3.9Å; Y460-W462 HydrophobicContact CG-CH2 3.9Å; Y460-W462 AromaticContact CG-CZ2 3.54Å; Y460-W462 HydrophobicContact CG-CZ2 3.54Å; Y460-W462 PolarHBondContact O-N 3.41Å; Y460-F463 WeakPolarHBondContact O-CB 3.29Å; Y460-F463 PolarHBondContact O-N 2.87Å
461P90.2Very high78.2Confident34 Ų3480.2 Ų80.222%0.22143%0.432CS..THydrogen-bonded Turntrans-70.4-3.5-170.630.7-38.4000114.1F423 Y559 R561 A562F423-P461 HydrophobicContact CD2-CG 3.99Å; F423-P461 HydrophobicContact CE2-CG 3.85Å; P461-Y559 HydrophobicContact CB-CE2 3.88Å; P461-Y559 HydrophobicContact CG-CE2 3.93Å; P461-Y559 WeakPolarHBondContact O-CD2 3.16Å; P461-Y559 WeakPolarHBondContact O-CE2 3.33Å; P461-R561 HydrophobicContact CB-CG 4.4Å; P461-R561 CarbonylContact O-C 3.58Å; P461-R561 WeakPolarHBondContact O-CA 3.34Å; P461-A562 PolarHBondContact O-N 3.42Å
462W92.3Very high80.9Confident1 Ų176 Ų760%0.00440%0.397CS..THydrogen-bonded Turntrans-98.3-4171.545.3-108.1000113.9F423 L457 Y460 F487 I489 V532 L536 Y559F423-W462 AromaticContact CD1-NE1 3.91Å; F423-W462 AromaticContact CE1-CD1 3.9Å; F423-W462 AromaticContact CE1-NE1 3.26Å; F423-W462 VanDerWaalsContact CE1-NE1 3.26Å; F423-W462 AromaticContact CZ-NE1 3.58Å; L457-W462 HydrophobicContact CD2-CH2 3.75Å; L457-W462 HydrophobicContact CD2-CZ3 4.17Å; Y460-W462 AromaticContact CD1-CE2 3.6Å; Y460-W462 HydrophobicContact CD1-CH2 4.02Å; Y460-W462 AromaticContact CD1-CZ2 3.22Å; Y460-W462 HydrophobicContact CD1-CZ2 3.22Å; Y460-W462 AromaticContact CD1-NE1 3.76Å; Y460-W462 HydrophobicContact CE1-CZ2 4.01Å; Y460-W462 AromaticContact CG-CE2 3.94Å; Y460-W462 AromaticContact CG-CH2 3.9Å; Y460-W462 HydrophobicContact CG-CH2 3.9Å; Y460-W462 AromaticContact CG-CZ2 3.54Å; Y460-W462 HydrophobicContact CG-CZ2 3.54Å; Y460-W462 PolarHBondContact O-N 3.41Å; W462-F487 HydrophobicContact CB-CE2 3.97Å; W462-F487 HydrophobicContact CB-CZ 4.42Å; W462-F487 HydrophobicContact CG-CE2 4.36Å; W462-I489 HydrophobicContact CE3-CB 3.87Å; W462-I489 HydrophobicContact CE3-CD1 3.78Å; W462-I489 HydrophobicContact CE3-CG1 4.03Å; W462-I489 HydrophobicContact CH2-CD1 4.39Å; W462-I489 HydrophobicContact CZ3-CB 4.03Å; W462-I489 HydrophobicContact CZ3-CD1 3.67Å; W462-I489 HydrophobicContact CZ3-CG1 4.27Å; W462-I489 HydrophobicContact CZ3-CG2 4.36Å; W462-I489 PolarHBondContact O-N 2.93Å; W462-V532 HydrophobicContact CH2-CB 4.22Å; W462-V532 HydrophobicContact CH2-CG1 3.51Å; W462-V532 HydrophobicContact CZ2-CG1 4.26Å; W462-V532 HydrophobicContact CZ3-CG1 3.99Å; W462-L536 HydrophobicContact CD2-CD1 3.92Å; W462-L536 VanDerWaalsContact CE2-CD1 3.46Å; W462-L536 HydrophobicContact CG-CD1 4.31Å; W462-L536 HydrophobicContact CH2-CD1 4.39Å; W462-L536 HydrophobicContact CZ2-CD1 3.71Å; W462-Y559 HydrophobicContact CB-CD1 4.37Å; W462-Y559 HydrophobicContact CB-CD2 3.69Å; W462-Y559 HydrophobicContact CB-CE2 4.37Å; W462-Y559 HydrophobicContact CB-CG 3.68Å
463F94.3Very high83.8Confident17 Ų1769.8 Ų69.88%0.07537%0.372CS..BIsolated β-bridgetrans-99.8128.3179.6178-111.7000111.3L457 Y460 G465 I489 Y499 A562L457-F463 HydrophobicContact CB-CD1 3.99Å; L457-F463 HydrophobicContact CB-CD2 4.3Å; L457-F463 HydrophobicContact CB-CE1 4.07Å; L457-F463 HydrophobicContact CB-CE2 4.43Å; L457-F463 HydrophobicContact CB-CG 4.07Å; L457-F463 HydrophobicContact CB-CZ 4.3Å; L457-F463 VanDerWaalsContact O-CB 3.22Å; L457-F463 WeakPolarHBondContact O-CB 3.33Å; L457-F463 WeakPolarHBondContact O-CD1 3.5Å; L457-F463 WeakPolarHBondContact O-CG 3.48Å; Y460-F463 WeakPolarHBondContact O-CB 3.29Å; Y460-F463 PolarHBondContact O-N 2.87Å; F463-G465 VanDerWaalsContact CZ-CA 3.49Å; F463-I489 WeakPolarHBondContact CA-O 3.46Å; F463-I489 HydrophobicContact CD2-CB 4.47Å; F463-I489 HydrophobicContact CD2-CG2 4.14Å; F463-Y499 AromaticContact CE2-CD1 3.75Å; F463-Y499 HydrophobicContact CE2-CD1 3.75Å; F463-Y499 AromaticContact CE2-CE1 3.71Å; F463-Y499 HydrophobicContact CE2-CE1 3.71Å; F463-Y499 HydrophobicContact CZ-CD1 4.39Å; F463-Y499 AromaticContact CZ-CE1 3.9Å; F463-Y499 HydrophobicContact CZ-CE1 3.9Å; F463-A562 WeakPolarHBondContact O-CB 3.46Å
464H93.1Very high86.4Confident36 Ų3670.8 Ų70.817%0.16737%0.367CS..  trans-109.821.3-172.7-72.2-121.4000113.3L467 V488 I489 V560 A562H464-L467 HydrophobicContact CB-CB 3.8Å; H464-L467 HydrophobicContact CB-CD1 4.38Å; H464-L467 HydrophobicContact CB-CD2 3.71Å; H464-L467 HydrophobicContact CB-CG 4.17Å; H464-V488 WeakPolarHBondContact NE2-CG1 3.45Å; H464-I489 PolarHBondContact N-O 3.02Å; H464-V560 PolarHBondContact NE2-O 2.87Å; H464-A562 PolarHBondContact NE2-N 3.22Å
465G91.5Very high88.8Confident24 Ų2463.4 Ų63.425%0.24733%0.333CS..SBendtrans58.2-142.1-17600000112.3F463 L467 R490 Q491F463-G465 VanDerWaalsContact CZ-CA 3.49Å; G465-L467 PolarHBondContact O-N 3.44Å; G465-R490 WeakPolarHBondContact O-CA 3.48Å; G465-Q491 PolarHBondContact O-N 3.36Å
466T91.4Very high90.7Very high97 Ų9758.7 Ų58.760%0.59531%0.308SS*.SBendtrans-75.887.3167.1-68.50000110.2Q491 E493T466-Q491 PolarHBondContact OG1-OE1 3.3Å; T466-E493 HydrophobicContact CG2-CG 4.33Å
467L91.7Very high91.9Very high13 Ų1355.5 Ų55.57%0.06830%0.295CS..  trans-100.8140.1172.8-17172.3000110.3H464 G465 K471 A472 L475 V488 R490H464-L467 HydrophobicContact CB-CB 3.8Å; H464-L467 HydrophobicContact CB-CD1 4.38Å; H464-L467 HydrophobicContact CB-CD2 3.71Å; H464-L467 HydrophobicContact CB-CG 4.17Å; G465-L467 PolarHBondContact O-N 3.44Å; L467-K471 HydrophobicContact CD1-CB 4.18Å; L467-K471 HydrophobicContact CD1-CD 3.6Å; L467-K471 HydrophobicContact CD1-CG 3.83Å; L467-K471 HydrophobicContact CG-CB 4.43Å; L467-A472 HydrophobicContact CD2-CB 3.72Å; L467-A472 HydrophobicContact CG-CB 4.31Å; L467-L475 HydrophobicContact CD2-CD1 3.85Å; L467-V488 HydrophobicContact CD2-CG2 4.27Å; L467-R490 HydrophobicContact CB-CB 3.78Å; L467-R490 WeakPolarHBondContact O-CD 3.43Å; L467-R490 PolarHBondContact O-NH1 2.84Å
468S93.1Very high92.1Very high43 Ų4357.9 Ų57.930%0.30132%0.317SS..  trans-72.5152.4-177.478.80000114.4V470 K471 A472 E493S468-V470 PolarHBondContact O-N 2.89Å; S468-K471 PolarHBondContact O-N 3.35Å; S468-K471 VanDerWaalsContact OG-CB 3.26Å; S468-K471 WeakPolarHBondContact OG-CB 3.02Å; S468-K471 PolarHBondContact OG-N 2.86Å; S468-K471 VanDerWaalsContact OG-N 3.08Å; S468-A472 VanDerWaalsContact O-CB 3.23Å; S468-A472 WeakPolarHBondContact O-CB 3.12Å; S468-A472 PolarHBondContact O-N 3.38Å; S468-E493 WeakPolarHBondContact CA-OE1 3.29Å; S468-E493 WeakPolarHBondContact CA-OE2 3.47Å; S468-E493 WeakPolarHBondContact CB-OE1 3.4Å
469R92.3Very high92.2Very high152 Ų15255.2 Ų55.257%0.57430%0.303SS*.Hα-helixtrans-53.7-41.5175.9-173.4-177.5173.8-173.7-6112A473 E493 H511R469-A473 WeakPolarHBondContact O-CB 3.2Å; R469-A473 PolarHBondContact O-N 3.42Å; R469-A473 VanDerWaalsContact O-N 3.11Å; R469-E493 PolarHBondContact N-OE2 3.13Å; R469-H511 PolarHBondContact NE-CD2 3.25Å; R469-H511 VanDerWaalsContact NE-CD2 3.3Å; R469-H511 PolarHBondContact NE-NE2 3.36Å
470V94.6Very high92.4Very high99 Ų9950.2 Ų50.260%0.628%0.281SS*.Hα-helixtrans-70.7-48.3-179.5-178.50000110.8S468 A472 A473 Q474S468-V470 PolarHBondContact O-N 2.89Å; V470-A472 PolarHBondContact O-N 3.42Å; V470-A473 WeakPolarHBondContact O-CB 3.38Å; V470-A473 PolarHBondContact O-N 2.89Å; V470-Q474 WeakPolarHBondContact O-CG 3.28Å; V470-Q474 PolarHBondContact O-N 3.14Å
471K94.2Very high92.5Very high112 Ų11250.5 Ų50.549%0.48729%0.294SS..Hα-helixtrans-64.5-40.5179.4-169.8173.4169.9-173.30111.5L467 S468 A473 Q474 L475L467-K471 HydrophobicContact CD1-CB 4.18Å; L467-K471 HydrophobicContact CD1-CD 3.6Å; L467-K471 HydrophobicContact CD1-CG 3.83Å; L467-K471 HydrophobicContact CG-CB 4.43Å; S468-K471 PolarHBondContact O-N 3.35Å; S468-K471 VanDerWaalsContact OG-CB 3.26Å; S468-K471 WeakPolarHBondContact OG-CB 3.02Å; S468-K471 PolarHBondContact OG-N 2.86Å; S468-K471 VanDerWaalsContact OG-N 3.08Å; K471-A473 VanDerWaalsContact C-N 3.34Å; K471-A473 PolarHBondContact O-N 2.97Å; K471-Q474 PolarHBondContact O-N 3.46Å; K471-L475 WeakPolarHBondContact O-CG 3.34Å; K471-L475 PolarHBondContact O-N 3.11Å
472A95.7Very high92.4Very high0 Ų059 Ų590%032%0.321CS..Hα-helixtrans-60.9-40173.400000112.7L467 S468 V470 V476 V488 T502L467-A472 HydrophobicContact CD2-CB 3.72Å; L467-A472 HydrophobicContact CG-CB 4.31Å; S468-A472 VanDerWaalsContact O-CB 3.23Å; S468-A472 WeakPolarHBondContact O-CB 3.12Å; S468-A472 PolarHBondContact O-N 3.38Å; V470-A472 PolarHBondContact O-N 3.42Å; A472-V476 PolarHBondContact O-N 3.4Å; A472-V488 HydrophobicContact CB-CG2 3.97Å; A472-T502 HydrophobicContact CB-CG2 3.91Å
473A96.1Very high92.4Very high20 Ų2060 Ų6017%0.16533%0.327CS..Hα-helixtrans-65.7-44.5173.900000111.8R469 V470 K471 L475 V476 L477 A509R469-A473 WeakPolarHBondContact O-CB 3.2Å; R469-A473 PolarHBondContact O-N 3.42Å; R469-A473 VanDerWaalsContact O-N 3.11Å; V470-A473 WeakPolarHBondContact O-CB 3.38Å; V470-A473 PolarHBondContact O-N 2.89Å; K471-A473 VanDerWaalsContact C-N 3.34Å; K471-A473 PolarHBondContact O-N 2.97Å; A473-L475 PolarHBondContact O-N 3.24Å; A473-V476 PolarHBondContact O-N 3.21Å; A473-L477 WeakPolarHBondContact O-CB 3.32Å; A473-L477 WeakPolarHBondContact O-CG 3.24Å; A473-L477 PolarHBondContact O-N 2.78Å; A473-A509 HydrophobicContact CB-CB 3.69Å
474Q95.3Very high92.4Very high128 Ų12861.2 Ų61.260%0.59833%0.332SS*.Hα-helixtrans-57.2-47.1176.1-71.7167.8-21.600111.9V470 K471 L477 A478V470-Q474 WeakPolarHBondContact O-CG 3.28Å; V470-Q474 PolarHBondContact O-N 3.14Å; K471-Q474 PolarHBondContact O-N 3.46Å; Q474-L477 PolarHBondContact O-N 3.5Å; Q474-A478 PolarHBondContact O-N 3.23Å; Q474-A478 VanDerWaalsContact O-N 3.14Å
475L94.9Very high92.4Very high22 Ų2259.5 Ų59.512%0.11532%0.324CS..Hα-helixtrans-58.9-50.5179.4-70.1-176.6000112.4L415 L467 K471 A473 L477 V488 V560L415-L475 HydrophobicContact CD1-CD2 3.66Å; L415-L475 HydrophobicContact CD2-CD2 3.67Å; L415-L475 HydrophobicContact CG-CD2 4.34Å; L467-L475 HydrophobicContact CD2-CD1 3.85Å; K471-L475 WeakPolarHBondContact O-CG 3.34Å; K471-L475 PolarHBondContact O-N 3.11Å; A473-L475 PolarHBondContact O-N 3.24Å; L475-L477 VanDerWaalsContact C-N 3.3Å; L475-L477 PolarHBondContact O-N 2.78Å; L475-V488 HydrophobicContact CD1-CG1 4.47Å; L475-V560 HydrophobicContact CB-CG2 4.21Å; L475-V560 HydrophobicContact CD1-CG1 4.43Å; L475-V560 HydrophobicContact CD2-CG1 4.46Å
476V96Very high92.7Very high0 Ų058.3 Ų58.30%031%0.313CS..Hα-helixtrans-73.9-21.5-177.7-550000113.1A472 A473 L486 V488 T502 N504 A509A472-V476 PolarHBondContact O-N 3.4Å; A473-V476 PolarHBondContact O-N 3.21Å; V476-L486 HydrophobicContact CB-CG 4.47Å; V476-V488 HydrophobicContact CG1-CG1 4.38Å; V476-V488 HydrophobicContact CG1-CG2 4.19Å; V476-T502 HydrophobicContact CG2-CG2 4.24Å; V476-N504 HydrophobicContact CB-CB 4.1Å; V476-N504 HydrophobicContact CG2-CB 4.23Å; V476-N504 WeakPolarHBondContact O-CB 3.44Å; V476-N504 PolarHBondContact O-ND2 2.91Å; V476-A509 HydrophobicContact CG2-CB 4.3Å
477L94.9Very high93Very high57 Ų5753.7 Ų53.730%0.29828%0.284SS..Hα-helixtrans-92-4.1179.9-66.5-179.1000114.7A473 Q474 L475 G479 G480 G507 A509A473-L477 WeakPolarHBondContact O-CB 3.32Å; A473-L477 WeakPolarHBondContact O-CG 3.24Å; A473-L477 PolarHBondContact O-N 2.78Å; Q474-L477 PolarHBondContact O-N 3.5Å; L475-L477 VanDerWaalsContact C-N 3.3Å; L475-L477 PolarHBondContact O-N 2.78Å; L477-G479 PolarHBondContact O-N 2.96Å; L477-G480 PolarHBondContact O-N 3.34Å; L477-G507 VanDerWaalsContact CD2-O 3.28Å; L477-G507 WeakPolarHBondContact CD2-O 3.45Å; L477-A509 HydrophobicContact CD1-CB 4Å; L477-A509 HydrophobicContact CG-CB 4.24Å
478A87.7Confident93.2Very high66 Ų6653.1 Ų53.155%0.54528%0.281SS..THydrogen-bonded Turntrans-58.2-17.6-174.700000115.7L415 Q474L415-A478 HydrophobicContact CD1-CB 4Å; Q474-A478 PolarHBondContact O-N 3.23Å; Q474-A478 VanDerWaalsContact O-N 3.14Å
479G83.1Confident93.4Very high28 Ų2851.1 Ų51.129%0.28927%0.267SS..THydrogen-bonded Turntrans-115.314.317200000115L477 R482 N483L477-G479 PolarHBondContact O-N 2.96Å; G479-R482 PolarHBondContact O-N 2.89Å; G479-N483 WeakPolarHBondContact CA-ND2 3.32Å; G479-N483 PolarHBondContact N-ND2 3.39Å
480G89.9Confident93.5Very high23 Ų2344.4 Ų44.424%0.23724%0.242CC..G310 helixtrans57.6-145.4-179.700000113.3L477 R482 N483 N504L477-G480 PolarHBondContact O-N 3.34Å; G480-R482 PolarHBondContact O-N 3.38Å; G480-N483 PolarHBondContact O-N 3.43Å; G480-N504 PolarHBondContact O-ND2 2.72Å
481P89.8Confident93.4Very high89 Ų8942.8 Ų42.858%0.57823%0.227SC*.G310 helixtrans-61.8-20.1179.3-24.334.5000115.3N483 H484P481-N483 PolarHBondContact O-N 3.37Å; P481-H484 WeakPolarHBondContact O-CB 3.4Å; P481-H484 PolarHBondContact O-N 2.7Å
482R89Confident93Very high212 Ų21237.8 Ų37.880%0.821%0.207SC*.G310 helixtrans-66.2-23177.6-63.3-173.368.8-108.40.6112.7G479 G480 H484G479-R482 PolarHBondContact O-N 2.89Å; G480-R482 PolarHBondContact O-N 3.38Å; R482-H484 VanDerWaalsContact C-N 3.34Å
483N92.4Very high92.5Very high22 Ų2242.3 Ų42.312%0.11823%0.228CC..G310 helixtrans-95.925.1177.8-67.415.2000112.2H417 G479 G480 P481 G485 L486 N504H417-N483 PolarHBondContact CE1-ND2 2.88Å; G479-N483 WeakPolarHBondContact CA-ND2 3.32Å; G479-N483 PolarHBondContact N-ND2 3.39Å; G480-N483 PolarHBondContact O-N 3.43Å; P481-N483 PolarHBondContact O-N 3.37Å; N483-G485 PolarHBondContact O-N 2.79Å; N483-L486 HydrophobicContact CB-CB 3.92Å; N483-L486 HydrophobicContact CB-CD2 3.83Å; N483-L486 VanDerWaalsContact ND2-CD2 3.33Å; N483-L486 WeakPolarHBondContact ND2-CD2 3.4Å; N483-L486 WeakPolarHBondContact O-CB 3.11Å; N483-L486 PolarHBondContact O-N 3.19Å; N483-N504 VanDerWaalsContact O-CB 3.29Å; N483-N504 WeakPolarHBondContact O-CB 3.24Å; N483-N504 VanDerWaalsContact O-CG 3.27Å; N483-N504 PolarHBondContact O-ND2 3.27Å
484H93.7Very high91.6Very high42 Ų4246.7 Ų46.719%0.19425%0.253CS..THydrogen-bonded Turntrans-53.6126.8171.6176.9114.2000110.1P481 R482 F505 Q506 I554P481-H484 WeakPolarHBondContact O-CB 3.4Å; P481-H484 PolarHBondContact O-N 2.7Å; R482-H484 VanDerWaalsContact C-N 3.34Å; H484-F505 AromaticContact CE1-CD2 3.96Å; H484-Q506 WeakPolarHBondContact ND1-CG 3.48Å; H484-Q506 PolarHBondContact ND1-N 3.04Å; H484-I554 VanDerWaalsContact NE2-CD1 3.27Å; H484-I554 WeakPolarHBondContact NE2-CD1 3.46Å
485G94.3Very high90.7Very high0 Ų045 Ų450%024%0.241CC..THydrogen-bonded Turntrans88.5-1.9-173.300000115.5N483 N504 T555 R557 S558N483-G485 PolarHBondContact O-N 2.79Å; G485-N504 PolarHBondContact N-O 2.6Å; G485-T555 VanDerWaalsContact CA-O 3.27Å; G485-T555 WeakPolarHBondContact CA-O 3.48Å; G485-R557 PolarHBondContact O-N 2.9Å; G485-S558 PolarHBondContact O-N 3.1Å
486L96.7Very high89.8Confident0 Ų050 Ų500%027%0.274CS..EExtended strand (participates in β ladder)trans-72133169.5-179.862.4000110.5H417 V476 N483 F503 N504 S558 V560H417-L486 HydrophobicContact CB-CD1 4.2Å; V476-L486 HydrophobicContact CB-CG 4.47Å; N483-L486 HydrophobicContact CB-CB 3.92Å; N483-L486 HydrophobicContact CB-CD2 3.83Å; N483-L486 VanDerWaalsContact ND2-CD2 3.33Å; N483-L486 WeakPolarHBondContact ND2-CD2 3.4Å; N483-L486 WeakPolarHBondContact O-CB 3.11Å; N483-L486 PolarHBondContact O-N 3.19Å; L486-F503 CarbonylContact O-C 3.51Å; L486-F503 VanDerWaalsContact O-CA 3.28Å; L486-F503 WeakPolarHBondContact O-CA 3.26Å; L486-N504 HydrophobicContact CB-CB 4.44Å; L486-N504 PolarHBondContact O-N 3.03Å; L486-S558 CarbonylContact C-O 2.99Å; L486-S558 VanDerWaalsContact CA-O 3.26Å; L486-S558 WeakPolarHBondContact CA-O 3.38Å; L486-S558 WeakPolarHBondContact CD1-OG 3.22Å; L486-V560 HydrophobicContact CD1-CG2 3.75Å; L486-V560 HydrophobicContact CD2-CG2 3.94Å; L486-V560 HydrophobicContact CG-CG2 3.92Å
487F97.7Very high88.9Confident0 Ų052.3 Ų52.30%030%0.299CS..EExtended strand (participates in β ladder)trans-139.2169.4-177.975.1-87.3000115.6L420 W462 I489 L501 T502 F503 L536 L556 S558 Y559 V560L420-F487 HydrophobicContact CB-CE1 4.36Å; L420-F487 HydrophobicContact CD1-CE1 4.36Å; L420-F487 HydrophobicContact CD1-CZ 4.07Å; L420-F487 HydrophobicContact CD2-CE1 3.88Å; L420-F487 HydrophobicContact CD2-CZ 4.17Å; L420-F487 HydrophobicContact CG-CE1 4.43Å; W462-F487 HydrophobicContact CB-CE2 3.97Å; W462-F487 HydrophobicContact CB-CZ 4.42Å; W462-F487 HydrophobicContact CG-CE2 4.36Å; F487-I489 HydrophobicContact CD2-CG1 4.4Å; F487-I489 HydrophobicContact CE2-CG1 4.47Å; F487-L501 HydrophobicContact CB-CD1 3.86Å; F487-L501 HydrophobicContact CD2-CD1 3.41Å; F487-L501 VanDerWaalsContact CD2-CD1 3.41Å; F487-L501 HydrophobicContact CE2-CD1 4.21Å; F487-L501 HydrophobicContact CG-CD1 3.85Å; F487-T502 CarbonylContact C-O 3.46Å; F487-T502 VanDerWaalsContact CA-O 3.24Å; F487-T502 WeakPolarHBondContact CA-O 3.46Å; F487-T502 WeakPolarHBondContact CB-O 3.38Å; F487-F503 HydrophobicContact CB-CB 3.7Å; F487-L536 HydrophobicContact CD2-CD2 4.42Å; F487-L536 HydrophobicContact CE1-CD2 4.5Å; F487-L536 HydrophobicContact CE2-CD1 4.37Å; F487-L536 HydrophobicContact CE2-CD2 3.61Å; F487-L536 HydrophobicContact CZ-CD1 4.33Å; F487-L536 HydrophobicContact CZ-CD2 3.66Å; F487-L556 HydrophobicContact CB-CD2 4.01Å; F487-L556 HydrophobicContact CD1-CB 3.9Å; F487-L556 HydrophobicContact CD1-CD1 4.28Å; F487-L556 HydrophobicContact CD1-CD2 3.83Å; F487-L556 HydrophobicContact CD1-CG 4.22Å; F487-L556 HydrophobicContact CE1-CB 3.93Å; F487-L556 HydrophobicContact CE1-CD1 4.3Å; F487-L556 HydrophobicContact CG-CD2 4.02Å; F487-S558 WeakPolarHBondContact CD1-O 3.46Å; F487-S558 WeakPolarHBondContact CE1-O 3.49Å; F487-S558 PolarHBondContact N-O 3.08Å; F487-Y559 VanDerWaalsContact O-CA 3.26Å; F487-Y559 WeakPolarHBondContact O-CA 3.41Å; F487-V560 PolarHBondContact O-N 3.4Å
488V96.7Very high88.5Confident0 Ų050.6 Ų50.60%029%0.289CS..EExtended strand (participates in β ladder)trans-141.7150.1163.6-64.30000109.2H464 L467 A472 L475 V476 T502 V560H464-V488 WeakPolarHBondContact NE2-CG1 3.45Å; L467-V488 HydrophobicContact CD2-CG2 4.27Å; A472-V488 HydrophobicContact CB-CG2 3.97Å; L475-V488 HydrophobicContact CD1-CG1 4.47Å; V476-V488 HydrophobicContact CG1-CG1 4.38Å; V476-V488 HydrophobicContact CG1-CG2 4.19Å; V488-T502 PolarHBondContact N-O 2.83Å; V488-T502 PolarHBondContact O-N 3.08Å; V488-V560 HydrophobicContact CG1-CB 3.69Å; V488-V560 HydrophobicContact CG1-CG2 3.94Å
489I96.1Very high88.8Confident1 Ų149.6 Ų49.61%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-106.2139.2164.6-60-177.7000108.6W462 F463 H464 F487 L501 L514 V532 M535 L536W462-I489 HydrophobicContact CE3-CB 3.87Å; W462-I489 HydrophobicContact CE3-CD1 3.78Å; W462-I489 HydrophobicContact CE3-CG1 4.03Å; W462-I489 HydrophobicContact CH2-CD1 4.39Å; W462-I489 HydrophobicContact CZ3-CB 4.03Å; W462-I489 HydrophobicContact CZ3-CD1 3.67Å; W462-I489 HydrophobicContact CZ3-CG1 4.27Å; W462-I489 HydrophobicContact CZ3-CG2 4.36Å; W462-I489 PolarHBondContact O-N 2.93Å; F463-I489 WeakPolarHBondContact CA-O 3.46Å; F463-I489 HydrophobicContact CD2-CB 4.47Å; F463-I489 HydrophobicContact CD2-CG2 4.14Å; H464-I489 PolarHBondContact N-O 3.02Å; F487-I489 HydrophobicContact CD2-CG1 4.4Å; F487-I489 HydrophobicContact CE2-CG1 4.47Å; I489-L501 HydrophobicContact CD1-CD1 4.2Å; I489-L501 HydrophobicContact CG1-CB 4.32Å; I489-L501 HydrophobicContact CG1-CD1 3.69Å; I489-L514 HydrophobicContact CD1-CD1 4.04Å; I489-L514 HydrophobicContact CG1-CD1 4.49Å; I489-L514 HydrophobicContact CG2-CD1 4Å; I489-V532 HydrophobicContact CD1-CG1 3.72Å; I489-M535 HydrophobicContact CD1-CE 3.92Å; I489-L536 HydrophobicContact CD1-CD1 4.48Å; I489-L536 HydrophobicContact CD1-CD2 4.15Å
490R94.9Very high89.4Confident12 Ų1248.7 Ų48.75%0.04526%0.26CS..EExtended strand (participates in β ladder)trans-140.3156.3-179.871-163.4-169.984.54111.3G465 L467 E493 Y499 V500G465-R490 WeakPolarHBondContact O-CA 3.48Å; L467-R490 HydrophobicContact CB-CB 3.78Å; L467-R490 WeakPolarHBondContact O-CD 3.43Å; L467-R490 PolarHBondContact O-NH1 2.84Å; R490-E493 IonicContact CZ-OE2 3.68Å; R490-E493 IonicContact NH1-OE2 2.75Å; R490-E493 PolarHBondContact NH1-OE2 3.45Å; R490-E493 IonicContact NH2-OE2 3.76Å; R490-Y499 CarbonylContact O-C 3.46Å; R490-Y499 WeakPolarHBondContact O-CA 3.39Å; R490-V500 HydrophobicContact CG-CB 4.09Å; R490-V500 PolarHBondContact N-O 3.02Å; R490-V500 VanDerWaalsContact N-O 3.1Å; R490-V500 PolarHBondContact O-N 3.42Å
491Q92.4Very high89.7Confident64 Ų6447.6 Ų47.630%0.29925%0.249SC..EExtended strand (participates in β ladder)trans-71.7148.9166.2-162.4174.317.100110.3G465 T466 E493G465-Q491 PolarHBondContact O-N 3.36Å; T466-Q491 PolarHBondContact OG1-OE1 3.3Å; Q491-E493 PolarHBondContact O-N 2.99Å
492S86.3Confident90.1Very high8 Ų843.3 Ų43.36%0.05622%0.221CC..  trans-87.1107.4-176.4178.80000112.3T494 R495 E498S492-T494 PolarHBondContact O-N 3.22Å; S492-R495 WeakPolarHBondContact CB-O 3.35Å; S492-R495 CarbonylContact O-C 3.55Å; S492-R495 PolarHBondContact O-N 3.31Å; S492-R495 VanDerWaalsContact O-N 3.08Å; S492-E498 VanDerWaalsContact CB-O 3.29Å; S492-E498 WeakPolarHBondContact CB-O 3.48Å; S492-E498 PolarHBondContact N-O 3.38Å
493E84.5Confident90.5Very high95 Ų9533.3 Ų33.344%0.44418%0.184SC..THydrogen-bonded Turntrans-46.6-36.7177.6-59.5151.6102.600114.5T466 S468 R469 R490 Q491T466-E493 HydrophobicContact CG2-CG 4.33Å; S468-E493 WeakPolarHBondContact CA-OE1 3.29Å; S468-E493 WeakPolarHBondContact CA-OE2 3.47Å; S468-E493 WeakPolarHBondContact CB-OE1 3.4Å; R469-E493 PolarHBondContact N-OE2 3.13Å; R490-E493 IonicContact CZ-OE2 3.68Å; R490-E493 IonicContact NH1-OE2 2.75Å; R490-E493 PolarHBondContact NH1-OE2 3.45Å; R490-E493 IonicContact NH2-OE2 3.76Å; Q491-E493 PolarHBondContact O-N 2.99Å
494T77Confident90.6Very high111 Ų11132.2 Ų32.268%0.68118%0.178SC*.THydrogen-bonded Turntrans-97.9-7.9-173.155.60000114.1S492S492-T494 PolarHBondContact O-N 3.22Å
495R77.3Confident90.7Very high94 Ų9431.1 Ų31.136%0.35517%0.173SC..SBendtrans-148.496.2-174.2-62.9-167.7-56.2-85.8-9.1110.1S492 E498S492-R495 WeakPolarHBondContact CB-O 3.35Å; S492-R495 CarbonylContact O-C 3.55Å; S492-R495 PolarHBondContact O-N 3.31Å; S492-R495 VanDerWaalsContact O-N 3.08Å; R495-E498 HydrophobicContact CB-CB 4.31Å; R495-E498 HydrophobicContact CB-CG 4.12Å; R495-E498 VanDerWaalsContact CD-OE1 3.23Å; R495-E498 WeakPolarHBondContact CD-OE1 3.45Å; R495-E498 IonicContact CZ-OE1 3.9Å; R495-E498 IonicContact CZ-OE2 3.18Å; R495-E498 IonicContact NE-OE1 2.83Å; R495-E498 PolarHBondContact NE-OE1 3.27Å; R495-E498 IonicContact NE-OE2 2.79Å; R495-E498 PolarHBondContact NE-OE2 2.87Å; R495-E498 IonicContact NH2-OE2 2.7Å; R495-E498 PolarHBondContact NH2-OE2 3.09Å; R495-E498 WeakPolarHBondContact O-CB 3.32Å; R495-E498 PolarHBondContact O-N 3.33Å
496P75.1Confident90.5Very high125 Ų12536.1 Ų36.181%0.81220%0.196SC*.THydrogen-bonded Turntrans-53.8147.8176.5-27.135.8000112.6E498P496-E498 PolarHBondContact O-N 3.39Å
497G76.9Confident90.2Very high50 Ų5037.3 Ų37.352%0.51521%0.208SC..THydrogen-bonded Turntrans73.2-6.2-175.300000115.5
498E87.5Confident90Very high21 Ų2141.7 Ų41.710%0.09823%0.227CC..EExtended strand (participates in β ladder)trans-97.7148.1173.7-66-174.8-151.600113S492 R495 P496 R513S492-E498 VanDerWaalsContact CB-O 3.29Å; S492-E498 WeakPolarHBondContact CB-O 3.48Å; S492-E498 PolarHBondContact N-O 3.38Å; R495-E498 HydrophobicContact CB-CB 4.31Å; R495-E498 HydrophobicContact CB-CG 4.12Å; R495-E498 VanDerWaalsContact CD-OE1 3.23Å; R495-E498 WeakPolarHBondContact CD-OE1 3.45Å; R495-E498 IonicContact CZ-OE1 3.9Å; R495-E498 IonicContact CZ-OE2 3.18Å; R495-E498 IonicContact NE-OE1 2.83Å; R495-E498 PolarHBondContact NE-OE1 3.27Å; R495-E498 IonicContact NE-OE2 2.79Å; R495-E498 PolarHBondContact NE-OE2 2.87Å; R495-E498 IonicContact NH2-OE2 2.7Å; R495-E498 PolarHBondContact NH2-OE2 3.09Å; R495-E498 WeakPolarHBondContact O-CB 3.32Å; R495-E498 PolarHBondContact O-N 3.33Å; P496-E498 PolarHBondContact O-N 3.39Å; E498-R513 IonicContact OE1-CZ 2.66Å; E498-R513 IonicContact OE1-NH1 3.99Å; E498-R513 PolarHBondContact OE1-NH1 3.18Å; E498-R513 IonicContact OE1-NH2 3.48Å; E498-R513 PolarHBondContact OE1-NH2 3.48Å; E498-R513 IonicContact OE2-CZ 3.06Å; E498-R513 IonicContact OE2-NE 3.9Å; E498-R513 PolarHBondContact OE2-NE 3.13Å; E498-R513 IonicContact OE2-NH1 2.84Å; E498-R513 PolarHBondContact OE2-NH1 2.96Å; E498-R513 IonicContact OE2-NH2 3.73Å; E498-R513 PolarHBondContact OE2-NH2 3.03Å
499Y93.8Very high89.9Confident44 Ų4443.1 Ų43.117%0.17324%0.239CC..EExtended strand (participates in β ladder)trans-122.9155.4178.3-62.7-99.6000109.8L457 F463 R490 L514 L516L457-Y499 HydrophobicContact CD1-CD1 3.95Å; L457-Y499 HydrophobicContact CD1-CE1 3.46Å; L457-Y499 VanDerWaalsContact CD1-CE1 3.46Å; L457-Y499 HydrophobicContact CD1-CE2 4.4Å; F463-Y499 AromaticContact CE2-CD1 3.75Å; F463-Y499 HydrophobicContact CE2-CD1 3.75Å; F463-Y499 AromaticContact CE2-CE1 3.71Å; F463-Y499 HydrophobicContact CE2-CE1 3.71Å; F463-Y499 HydrophobicContact CZ-CD1 4.39Å; F463-Y499 AromaticContact CZ-CE1 3.9Å; F463-Y499 HydrophobicContact CZ-CE1 3.9Å; R490-Y499 CarbonylContact O-C 3.46Å; R490-Y499 WeakPolarHBondContact O-CA 3.39Å; Y499-L514 PolarHBondContact N-O 3.2Å; Y499-L514 PolarHBondContact O-N 2.88Å; Y499-L514 VanDerWaalsContact O-O 3.12Å; Y499-L516 HydrophobicContact CD2-CD1 3.69Å; Y499-L516 HydrophobicContact CD2-CG 3.91Å; Y499-L516 HydrophobicContact CE2-CD1 3.66Å; Y499-L516 HydrophobicContact CE2-CG 4.19Å; Y499-L516 HydrophobicContact CG-CD1 4.32Å
500V95.5Very high89.9Confident9 Ų945.7 Ų45.76%0.05525%0.25CS..EExtended strand (participates in β ladder)trans-136.3114.2-175.8-174.80000109.7R490 T502 H511 L512R490-V500 HydrophobicContact CG-CB 4.09Å; R490-V500 PolarHBondContact N-O 3.02Å; R490-V500 VanDerWaalsContact N-O 3.1Å; R490-V500 PolarHBondContact O-N 3.42Å; V500-T502 PolarHBondContact O-N 3.08Å; V500-H511 HydrophobicContact CG1-CB 3.79Å; V500-L512 WeakPolarHBondContact CA-O 3.49Å
501L96.7Very high89.8Confident0 Ų048.1 Ų48.10%026%0.262CS..EExtended strand (participates in β ladder)trans-73.5113.5163.8174.367.7000107.8F487 I489 F503 H511 L512 L514 M535 L556F487-L501 HydrophobicContact CB-CD1 3.86Å; F487-L501 HydrophobicContact CD2-CD1 3.41Å; F487-L501 VanDerWaalsContact CD2-CD1 3.41Å; F487-L501 HydrophobicContact CE2-CD1 4.21Å; F487-L501 HydrophobicContact CG-CD1 3.85Å; I489-L501 HydrophobicContact CD1-CD1 4.2Å; I489-L501 HydrophobicContact CG1-CB 4.32Å; I489-L501 HydrophobicContact CG1-CD1 3.69Å; L501-F503 HydrophobicContact CD2-CD1 4.4Å; L501-F503 HydrophobicContact CG-CD1 4.15Å; L501-H511 WeakPolarHBondContact O-CA 2.97Å; L501-L512 HydrophobicContact CB-CB 4.31Å; L501-L512 HydrophobicContact CD2-CD2 4.15Å; L501-L512 PolarHBondContact N-O 2.86Å; L501-L512 PolarHBondContact O-N 2.97Å; L501-L514 HydrophobicContact CB-CD1 4.2Å; L501-L514 HydrophobicContact CB-CD2 4.06Å; L501-L514 HydrophobicContact CB-CG 4.26Å; L501-M535 HydrophobicContact CD2-SD 4.23Å; L501-L556 HydrophobicContact CD1-CD1 4.31Å; L501-L556 HydrophobicContact CD1-CD2 4.44Å; L501-L556 HydrophobicContact CD2-CD1 4.03Å; L501-L556 HydrophobicContact CD2-CD2 4.28Å
502T97.1Very high89.9Confident0 Ų045.7 Ų45.70%025%0.251CS..EExtended strand (participates in β ladder)trans-107125174.2-61.80000108.6A472 V476 F487 V488 V500 K510 H511A472-T502 HydrophobicContact CB-CG2 3.91Å; V476-T502 HydrophobicContact CG2-CG2 4.24Å; F487-T502 CarbonylContact C-O 3.46Å; F487-T502 VanDerWaalsContact CA-O 3.24Å; F487-T502 WeakPolarHBondContact CA-O 3.46Å; F487-T502 WeakPolarHBondContact CB-O 3.38Å; V488-T502 PolarHBondContact N-O 2.83Å; V488-T502 PolarHBondContact O-N 3.08Å; V500-T502 PolarHBondContact O-N 3.08Å; T502-K510 WeakPolarHBondContact CA-O 3.14Å; T502-H511 VanDerWaalsContact CG2-ND1 3.35Å; T502-H511 WeakPolarHBondContact CG2-ND1 3.11Å; T502-H511 PolarHBondContact OG1-ND1 3.33Å
503F97.2Very high90.2Very high1 Ų151.1 Ų51.10%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-141.6157.1-173.164.6-83.6000112.6L486 F487 L501 F505 K510 L512 I544 L546 I554 L556L486-F503 CarbonylContact O-C 3.51Å; L486-F503 VanDerWaalsContact O-CA 3.28Å; L486-F503 WeakPolarHBondContact O-CA 3.26Å; F487-F503 HydrophobicContact CB-CB 3.7Å; L501-F503 HydrophobicContact CD2-CD1 4.4Å; L501-F503 HydrophobicContact CG-CD1 4.15Å; F503-F505 HydrophobicContact CE2-CB 4.25Å; F503-K510 HydrophobicContact CD1-CB 4.14Å; F503-K510 HydrophobicContact CD2-CB 4.12Å; F503-K510 HydrophobicContact CE1-CB 3.61Å; F503-K510 HydrophobicContact CE2-CB 3.58Å; F503-K510 HydrophobicContact CE2-CG 3.98Å; F503-K510 HydrophobicContact CG-CB 4.37Å; F503-K510 HydrophobicContact CZ-CB 3.3Å; F503-K510 HydrophobicContact CZ-CG 4.01Å; F503-K510 PolarHBondContact N-O 3.45Å; F503-K510 PolarHBondContact O-N 2.86Å; F503-L512 HydrophobicContact CE1-CB 4.06Å; F503-I544 HydrophobicContact CD1-CD1 4.41Å; F503-I544 HydrophobicContact CD2-CD1 4.34Å; F503-I544 HydrophobicContact CE1-CD1 4.16Å; F503-I544 HydrophobicContact CE2-CD1 4.09Å; F503-I544 HydrophobicContact CG-CD1 4.49Å; F503-I544 HydrophobicContact CZ-CD1 3.98Å; F503-L546 HydrophobicContact CE2-CD1 4.28Å; F503-L546 HydrophobicContact CZ-CD1 4.22Å; F503-L546 HydrophobicContact CZ-CD2 4Å; F503-I554 HydrophobicContact CD2-CD1 4.2Å; F503-I554 HydrophobicContact CD2-CG1 4Å; F503-I554 HydrophobicContact CE2-CD1 4.47Å; F503-I554 HydrophobicContact CE2-CG1 3.82Å; F503-L556 HydrophobicContact CB-CD2 4.21Å
504N95.9Very high90.6Very high0 Ų046.6 Ų46.60%025%0.249CC..EExtended strand (participates in β ladder)trans-88.8117.2178.2177.7-24.9000110.8V476 G480 N483 G485 L486 Q506 G507V476-N504 HydrophobicContact CB-CB 4.1Å; V476-N504 HydrophobicContact CG2-CB 4.23Å; V476-N504 WeakPolarHBondContact O-CB 3.44Å; V476-N504 PolarHBondContact O-ND2 2.91Å; G480-N504 PolarHBondContact O-ND2 2.72Å; N483-N504 VanDerWaalsContact O-CB 3.29Å; N483-N504 WeakPolarHBondContact O-CB 3.24Å; N483-N504 VanDerWaalsContact O-CG 3.27Å; N483-N504 PolarHBondContact O-ND2 3.27Å; G485-N504 PolarHBondContact N-O 2.6Å; L486-N504 HydrophobicContact CB-CB 4.44Å; L486-N504 PolarHBondContact O-N 3.03Å; N504-Q506 PolarHBondContact OD1-N 3.34Å; N504-G507 WeakPolarHBondContact OD1-CA 3.28Å; N504-G507 PolarHBondContact OD1-N 3.5Å
505F94.6Very high91.2Very high19 Ų1942.8 Ų42.88%0.08323%0.227CC..EExtended strand (participates in β ladder)trans-110.697.8171-176.4-103000109.4H484 F503 G507 K508 K510 L546 A552 I554H484-F505 AromaticContact CE1-CD2 3.96Å; F503-F505 HydrophobicContact CE2-CB 4.25Å; F505-G507 VanDerWaalsContact C-N 3.3Å; F505-G507 PolarHBondContact O-N 3.48Å; F505-K508 PolarHBondContact N-O 2.88Å; F505-K508 WeakPolarHBondContact O-CB 3.49Å; F505-K508 PolarHBondContact O-N 3.45Å; F505-K510 HydrophobicContact CB-CG 3.64Å; F505-K510 HydrophobicContact CG-CG 4.36Å; F505-L546 HydrophobicContact CD2-CD1 4.06Å; F505-L546 HydrophobicContact CE2-CD1 4.2Å; F505-L546 HydrophobicContact CG-CD1 4.37Å; F505-A552 WeakPolarHBondContact CE2-O 3.49Å; F505-A552 HydrophobicContact CZ-CB 4.35Å; F505-I554 HydrophobicContact CD2-CB 3.65Å; F505-I554 HydrophobicContact CD2-CD1 4.35Å; F505-I554 HydrophobicContact CD2-CG1 3.93Å; F505-I554 HydrophobicContact CD2-CG2 3.78Å; F505-I554 HydrophobicContact CE2-CB 3.79Å; F505-I554 HydrophobicContact CE2-CG2 3.71Å
506Q91.3Very high91.8Very high105 Ų10540.5 Ų40.549%0.49122%0.222SC..THydrogen-bonded Turntrans53.739.9178.1-57.6-174.3-25.800114.1H484 N504H484-Q506 WeakPolarHBondContact ND1-CG 3.48Å; H484-Q506 PolarHBondContact ND1-N 3.04Å; N504-Q506 PolarHBondContact OD1-N 3.34Å
507G90.8Very high92.3Very high25 Ų2537.9 Ų37.926%0.25820%0.201SC..THydrogen-bonded Turntrans81.212.8-177.300000114.4L477 N504 F505L477-G507 VanDerWaalsContact CD2-O 3.28Å; L477-G507 WeakPolarHBondContact CD2-O 3.45Å; N504-G507 WeakPolarHBondContact OD1-CA 3.28Å; N504-G507 PolarHBondContact OD1-N 3.5Å; F505-G507 VanDerWaalsContact C-N 3.3Å; F505-G507 PolarHBondContact O-N 3.48Å
508K92.9Very high92.4Very high91 Ų9138.6 Ų38.640%0.39621%0.208SC..EExtended strand (participates in β ladder)trans-118.9128.9170.7-61-178-178.5179.70110F505 K510F505-K508 PolarHBondContact N-O 2.88Å; F505-K508 WeakPolarHBondContact O-CB 3.49Å; F505-K508 PolarHBondContact O-N 3.45Å; K508-K510 PolarHBondContact O-N 3.41Å
509A95.2Very high92Very high30 Ų3044.2 Ų44.225%0.24823%0.234CC..EExtended strand (participates in β ladder)trans-70.6129.3176.100000110A473 V476 L477A473-A509 HydrophobicContact CB-CB 3.69Å; V476-A509 HydrophobicContact CG2-CB 4.3Å; L477-A509 HydrophobicContact CD1-CB 4Å; L477-A509 HydrophobicContact CG-CB 4.24Å
510K95Very high91.3Very high56 Ų5642.5 Ų42.524%0.24323%0.23CC..EExtended strand (participates in β ladder)trans-113.8148.4170.8-66.6-71.5-177.5174.50108.5T502 F503 F505 K508 S548T502-K510 WeakPolarHBondContact CA-O 3.14Å; F503-K510 HydrophobicContact CD1-CB 4.14Å; F503-K510 HydrophobicContact CD2-CB 4.12Å; F503-K510 HydrophobicContact CE1-CB 3.61Å; F503-K510 HydrophobicContact CE2-CB 3.58Å; F503-K510 HydrophobicContact CE2-CG 3.98Å; F503-K510 HydrophobicContact CG-CB 4.37Å; F503-K510 HydrophobicContact CZ-CB 3.3Å; F503-K510 HydrophobicContact CZ-CG 4.01Å; F503-K510 PolarHBondContact N-O 3.45Å; F503-K510 PolarHBondContact O-N 2.86Å; F505-K510 HydrophobicContact CB-CG 3.64Å; F505-K510 HydrophobicContact CG-CG 4.36Å; K508-K510 PolarHBondContact O-N 3.41Å; K510-S548 PolarHBondContact NZ-OG 2.9Å
511H93.4Very high90.9Very high62 Ų6244.1 Ų44.129%0.28724%0.237SC..EExtended strand (participates in β ladder)trans-126.5121178.9-50.3-72.6000108.6R469 V500 L501 T502R469-H511 PolarHBondContact NE-CD2 3.25Å; R469-H511 VanDerWaalsContact NE-CD2 3.3Å; R469-H511 PolarHBondContact NE-NE2 3.36Å; V500-H511 HydrophobicContact CG1-CB 3.79Å; L501-H511 WeakPolarHBondContact O-CA 2.97Å; T502-H511 VanDerWaalsContact CG2-ND1 3.35Å; T502-H511 WeakPolarHBondContact CG2-ND1 3.11Å; T502-H511 PolarHBondContact OG1-ND1 3.33Å
512L93.3Very high90.7Very high13 Ų1344.1 Ų44.17%0.06824%0.237CC..EExtended strand (participates in β ladder)trans-112116.5178.5-176.360.8000108.3V500 L501 F503 L514 V524 Q525 F539 I544V500-L512 WeakPolarHBondContact CA-O 3.49Å; L501-L512 HydrophobicContact CB-CB 4.31Å; L501-L512 HydrophobicContact CD2-CD2 4.15Å; L501-L512 PolarHBondContact N-O 2.86Å; L501-L512 PolarHBondContact O-N 2.97Å; F503-L512 HydrophobicContact CE1-CB 4.06Å; L512-L514 PolarHBondContact O-N 3.08Å; L512-V524 HydrophobicContact CD1-CG1 3.84Å; L512-V524 HydrophobicContact CD2-CG1 3.46Å; L512-V524 VanDerWaalsContact CD2-CG1 3.46Å; L512-V524 HydrophobicContact CG-CG1 3.6Å; L512-Q525 HydrophobicContact CD1-CG 3.94Å; L512-F539 HydrophobicContact CD2-CE2 4.32Å; L512-I544 HydrophobicContact CD2-CG2 3.81Å
513R92.9Very high90.4Very high122 Ų12248.2 Ų48.246%0.4626%0.256SS..EExtended strand (participates in β ladder)trans-67124.8176.1173.7-175.8166.1128.510.2109E498 S515E498-R513 IonicContact OE1-CZ 2.66Å; E498-R513 IonicContact OE1-NH1 3.99Å; E498-R513 PolarHBondContact OE1-NH1 3.18Å; E498-R513 IonicContact OE1-NH2 3.48Å; E498-R513 PolarHBondContact OE1-NH2 3.48Å; E498-R513 IonicContact OE2-CZ 3.06Å; E498-R513 IonicContact OE2-NE 3.9Å; E498-R513 PolarHBondContact OE2-NE 3.13Å; E498-R513 IonicContact OE2-NH1 2.84Å; E498-R513 PolarHBondContact OE2-NH1 2.96Å; E498-R513 IonicContact OE2-NH2 3.73Å; E498-R513 PolarHBondContact OE2-NH2 3.03Å; R513-S515 PolarHBondContact NE-OG 2.92Å
514L93.3Very high90.1Very high0 Ų048.2 Ų48.20%026%0.256CS..EExtended strand (participates in β ladder)trans-101.4148.7167.2-44.2178.4000107.6I489 Y499 L501 L512 V524 M535I489-L514 HydrophobicContact CD1-CD1 4.04Å; I489-L514 HydrophobicContact CG1-CD1 4.49Å; I489-L514 HydrophobicContact CG2-CD1 4Å; Y499-L514 PolarHBondContact N-O 3.2Å; Y499-L514 PolarHBondContact O-N 2.88Å; Y499-L514 VanDerWaalsContact O-O 3.12Å; L501-L514 HydrophobicContact CB-CD1 4.2Å; L501-L514 HydrophobicContact CB-CD2 4.06Å; L501-L514 HydrophobicContact CB-CG 4.26Å; L512-L514 PolarHBondContact O-N 3.08Å; L514-V524 HydrophobicContact CD2-CG1 4.29Å; L514-V524 HydrophobicContact CD2-CG2 3.56Å; L514-M535 HydrophobicContact CD1-CE 3.9Å; L514-M535 HydrophobicContact CD2-CE 4.02Å; L514-M535 HydrophobicContact CD2-SD 4.35Å
515S90.4Very high89.6Confident32 Ų3252.4 Ų52.422%0.22428%0.276CS..EExtended strand (participates in β ladder)trans-136.3128169.4-61.60000108.4R513 H523R513-S515 PolarHBondContact NE-OG 2.92Å; S515-H523 PolarHBondContact N-O 3.1Å; S515-H523 PolarHBondContact O-N 2.87Å
516L89.3Confident89Confident46 Ų4657.6 Ų57.624%0.24130%0.3CS..EExtended strand (participates in β ladder)trans-106.1150.4-177.6-49.1-176000108.9L457 Y499 Q521 C522 V532L457-L516 HydrophobicContact CD1-CD1 3.67Å; Y499-L516 HydrophobicContact CD2-CD1 3.69Å; Y499-L516 HydrophobicContact CD2-CG 3.91Å; Y499-L516 HydrophobicContact CE2-CD1 3.66Å; Y499-L516 HydrophobicContact CE2-CG 4.19Å; Y499-L516 HydrophobicContact CG-CD1 4.32Å; L516-Q521 WeakPolarHBondContact CA-O 3.17Å; L516-C522 HydrophobicContact CD2-CB 3.85Å; L516-V532 HydrophobicContact CD1-CG2 4.14Å; L516-V532 HydrophobicContact CD2-CG2 3.64Å
517N85.8Confident88.9Confident69 Ų6954.7 Ų54.737%0.36929%0.287SS..  trans-101.2173.6163.563.811.2000110.2H519 G520 Q521N517-H519 PolarHBondContact O-N 2.84Å; N517-H519 PolarHBondContact OD1-N 3.03Å; N517-G520 PolarHBondContact O-N 3.24Å; N517-G520 PolarHBondContact OD1-N 2.83Å; N517-Q521 PolarHBondContact ND2-OE1 2.91Å; N517-Q521 WeakPolarHBondContact OD1-CB 3.33Å; N517-Q521 PolarHBondContact OD1-N 3.08Å
518G78.9Confident88.9Confident66 Ų6659.9 Ų59.968%0.6830%0.299SS*.THydrogen-bonded Turntrans-59.2-14.917700000114.3
519H78.6Confident88.9Confident139 Ų13956.7 Ų56.764%0.64429%0.285SS*.THydrogen-bonded Turntrans-97.813.7174.7-46.8-44.8000113.3N517 Q521N517-H519 PolarHBondContact O-N 2.84Å; N517-H519 PolarHBondContact OD1-N 3.03Å; H519-Q521 VanDerWaalsContact C-N 3.28Å; H519-Q521 HydrophobicContact CB-CG 4.48Å; H519-Q521 PolarHBondContact O-N 2.79Å
520G78.9Confident88.8Confident8 Ų860.4 Ų60.48%0.08230%0.298CS..  trans78.2-1.8173.800000117.6N517 C522N517-G520 PolarHBondContact O-N 3.24Å; N517-G520 PolarHBondContact OD1-N 2.83Å; G520-C522 PolarHBondContact O-N 2.95Å
521Q87.6Confident88.6Confident43 Ų4359.3 Ų59.320%0.20130%0.297CS..  trans-70.1126.7-172.3-58.7167.1-3.600109.6L516 N517 H519 W528 F529L516-Q521 WeakPolarHBondContact CA-O 3.17Å; N517-Q521 PolarHBondContact ND2-OE1 2.91Å; N517-Q521 WeakPolarHBondContact OD1-CB 3.33Å; N517-Q521 PolarHBondContact OD1-N 3.08Å; H519-Q521 VanDerWaalsContact C-N 3.28Å; H519-Q521 HydrophobicContact CB-CG 4.48Å; H519-Q521 PolarHBondContact O-N 2.79Å; Q521-W528 HydrophobicContact CB-CZ2 4.24Å; Q521-W528 HydrophobicContact CG-CZ2 4.01Å; Q521-F529 CarbonylContact C-O 3.5Å; Q521-F529 WeakPolarHBondContact CA-O 3.26Å
522C92Very high88.5Confident0 Ų056.9 Ų56.90%029%0.287CS..EExtended strand (participates in β ladder)trans-94.7113.6-172.3-167.60000110.8L516 G520 F529 V532 M535L516-C522 HydrophobicContact CD2-CB 3.85Å; G520-C522 PolarHBondContact O-N 2.95Å; C522-F529 HydrophobicContact CB-CB 4.33Å; C522-F529 PolarHBondContact N-O 3.42Å; C522-F529 PolarHBondContact O-N 3.25Å; C522-V532 HydrophobicContact CB-CG2 4.15Å; C522-M535 HydrophobicContact CB-CB 4.42Å
523H91.2Very high88.4Confident86 Ų8657.5 Ų57.540%0.39829%0.29SS..EExtended strand (participates in β ladder)trans-101130174.9-173.7-96.1000111.4S515 Q525 L527S515-H523 PolarHBondContact N-O 3.1Å; S515-H523 PolarHBondContact O-N 2.87Å; H523-Q525 PolarHBondContact CE1-O 2.89Å; H523-Q525 VanDerWaalsContact CE1-O 3.22Å; H523-L527 PolarHBondContact CD2-O 2.75Å
524V90.6Very high88.4Confident1 Ų154 Ų541%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-140.9106.5-171.1-172.80000110.5L512 L514 H526 L527 F529 M535 F539L512-V524 HydrophobicContact CD1-CG1 3.84Å; L512-V524 HydrophobicContact CD2-CG1 3.46Å; L512-V524 VanDerWaalsContact CD2-CG1 3.46Å; L512-V524 HydrophobicContact CG-CG1 3.6Å; L514-V524 HydrophobicContact CD2-CG1 4.29Å; L514-V524 HydrophobicContact CD2-CG2 3.56Å; V524-H526 VanDerWaalsContact C-N 3.35Å; V524-H526 PolarHBondContact O-N 2.71Å; V524-L527 PolarHBondContact N-O 3.28Å; V524-L527 PolarHBondContact O-N 2.84Å; V524-F529 HydrophobicContact CB-CE2 4.26Å; V524-F529 HydrophobicContact CG2-CD2 4.27Å; V524-F529 HydrophobicContact CG2-CE2 4.19Å; V524-M535 HydrophobicContact CG2-CG 3.91Å; V524-F539 HydrophobicContact CG1-CE2 4.26Å; V524-F539 HydrophobicContact CG1-CZ 4.43Å
525Q86.2Confident88.5Confident87 Ų8754 Ų5441%0.40728%0.281SS..THydrogen-bonded Turntrans54.8-86.1-171-56.4176.220.700114L512 H523 P545L512-Q525 HydrophobicContact CD1-CG 3.94Å; H523-Q525 PolarHBondContact CE1-O 2.89Å; H523-Q525 VanDerWaalsContact CE1-O 3.22Å; Q525-P545 PolarHBondContact NE2-O 3.2Å
526H81.4Confident88.7Confident129 Ų12952.5 Ų52.560%0.59727%0.27SS*.THydrogen-bonded Turntrans-133.12.4-176.967.6-88.7000112V524V524-H526 VanDerWaalsContact C-N 3.35Å; V524-H526 PolarHBondContact O-N 2.71Å
527L88.3Confident88.9Confident43 Ų4353.6 Ų53.623%0.22527%0.271CS..EExtended strand (participates in β ladder)trans-103.2146.1176.7-59.7175000108.9H523 V524 F529 F539 P545H523-L527 PolarHBondContact CD2-O 2.75Å; V524-L527 PolarHBondContact N-O 3.28Å; V524-L527 PolarHBondContact O-N 2.84Å; L527-F529 HydrophobicContact CB-CE2 3.72Å; L527-F529 HydrophobicContact CB-CZ 3.79Å; L527-F529 HydrophobicContact CD1-CZ 4.13Å; L527-F539 HydrophobicContact CD1-CE1 3.94Å; L527-F539 HydrophobicContact CD1-CZ 3.88Å; L527-P545 HydrophobicContact CD1-CG 4.08Å
528W92.6Very high89.2Confident135 Ų13553 Ų5351%0.51127%0.265SS..EExtended strand (participates in β ladder)trans-132.1136.3-179.3174.796.9000108.4Q521 Q530Q521-W528 HydrophobicContact CB-CZ2 4.24Å; Q521-W528 HydrophobicContact CG-CZ2 4.01Å; W528-Q530 VanDerWaalsContact CH2-OE1 3.29Å
529F92.7Very high90Very high23 Ų2349.9 Ų49.910%0.10123%0.233CC..EExtended strand (participates in β ladder)trans-131.1147.8-176-55.9-80.1000109.9Q521 C522 V524 L527 S531 M535 H538 F539Q521-F529 CarbonylContact C-O 3.5Å; Q521-F529 WeakPolarHBondContact CA-O 3.26Å; C522-F529 HydrophobicContact CB-CB 4.33Å; C522-F529 PolarHBondContact N-O 3.42Å; C522-F529 PolarHBondContact O-N 3.25Å; V524-F529 HydrophobicContact CB-CE2 4.26Å; V524-F529 HydrophobicContact CG2-CD2 4.27Å; V524-F529 HydrophobicContact CG2-CE2 4.19Å; L527-F529 HydrophobicContact CB-CE2 3.72Å; L527-F529 HydrophobicContact CB-CZ 3.79Å; L527-F529 HydrophobicContact CD1-CZ 4.13Å; F529-S531 WeakPolarHBondContact CB-O 3.22Å; F529-S531 PolarHBondContact O-N 3.29Å; F529-M535 HydrophobicContact CB-CB 4.01Å; F529-M535 HydrophobicContact CD1-CB 4.32Å; F529-M535 HydrophobicContact CD2-CB 3.52Å; F529-M535 HydrophobicContact CD2-CG 3.61Å; F529-M535 HydrophobicContact CE2-CB 4.03Å; F529-M535 HydrophobicContact CE2-CG 3.69Å; F529-M535 HydrophobicContact CG-CB 3.68Å; F529-M535 HydrophobicContact CG-CG 4.27Å; F529-M535 HydrophobicContact CZ-CG 4.43Å; F529-H538 HydrophobicContact CD1-CB 4.27Å; F529-H538 HydrophobicContact CE1-CB 3.57Å; F529-H538 AromaticContact CE1-CD2 3.53Å; F529-H538 AromaticContact CE1-CG 3.55Å; F529-H538 HydrophobicContact CZ-CB 4.25Å; F529-H538 AromaticContact CZ-CD2 3.55Å; F529-F539 HydrophobicContact CE2-CE2 4.19Å; F529-F539 HydrophobicContact CE2-CZ 4.17Å; F529-F539 HydrophobicContact CZ-CE1 4.49Å; F529-F539 HydrophobicContact CZ-CE2 4.28Å; F529-F539 HydrophobicContact CZ-CZ 4.01Å
530Q91.2Very high90.7Very high109 Ų10945.5 Ų45.551%0.50921%0.213SC..SBendtrans-65.4-28-177.3-158.262.272.900112.4W528W528-Q530 VanDerWaalsContact CH2-OE1 3.29Å
531S91.1Very high91.3Very high33 Ų3349.5 Ų49.523%0.23124%0.236CC..SBendtrans-149173.6174.772.60000111.8F529 L533 D534 M535F529-S531 WeakPolarHBondContact CB-O 3.22Å; F529-S531 PolarHBondContact O-N 3.29Å; S531-L533 VanDerWaalsContact C-N 3.28Å; S531-L533 WeakPolarHBondContact OG-CB 3.23Å; S531-L533 PolarHBondContact OG-N 3.18Å; S531-D534 WeakPolarHBondContact CB-OD2 3.46Å; S531-D534 PolarHBondContact N-OD2 2.82Å; S531-D534 VanDerWaalsContact OG-CG 3.23Å; S531-D534 PolarHBondContact OG-N 3.11Å; S531-D534 VanDerWaalsContact OG-N 3.1Å; S531-D534 PolarHBondContact OG-OD2 3.26Å; S531-M535 PolarHBondContact O-N 3.08Å
532V91.6Very high91.5Very high11 Ų1152 Ų527%0.06725%0.248CC..Hα-helixtrans-64.6-32.7168-178.60000111.5L457 W462 I489 L516 C522 M535 L536L457-V532 HydrophobicContact CD2-CB 4.38Å; L457-V532 HydrophobicContact CD2-CG2 4.16Å; W462-V532 HydrophobicContact CH2-CB 4.22Å; W462-V532 HydrophobicContact CH2-CG1 3.51Å; W462-V532 HydrophobicContact CZ2-CG1 4.26Å; W462-V532 HydrophobicContact CZ3-CG1 3.99Å; I489-V532 HydrophobicContact CD1-CG1 3.72Å; L516-V532 HydrophobicContact CD1-CG2 4.14Å; L516-V532 HydrophobicContact CD2-CG2 3.64Å; C522-V532 HydrophobicContact CB-CG2 4.15Å; V532-M535 HydrophobicContact CG1-CE 3.77Å; V532-M535 WeakPolarHBondContact O-CB 3.29Å; V532-M535 PolarHBondContact O-N 2.92Å; V532-L536 WeakPolarHBondContact O-CG 3.43Å; V532-L536 PolarHBondContact O-N 3.44Å; V532-L536 VanDerWaalsContact O-N 3.08Å
533L92.3Very high91.4Very high25 Ų2554.7 Ų54.713%0.13127%0.265CS..Hα-helixtrans-64.7-41.1178.3177.764.2000111.7F423 L424 L427 S531 M535 L536 R537F423-L533 HydrophobicContact CE1-CD1 3.97Å; L424-L533 HydrophobicContact CD2-CD1 3.65Å; L427-L533 HydrophobicContact CD1-CD1 3.63Å; L427-L533 HydrophobicContact CD1-CD2 3.71Å; L427-L533 HydrophobicContact CD1-CG 4.35Å; S531-L533 VanDerWaalsContact C-N 3.28Å; S531-L533 WeakPolarHBondContact OG-CB 3.23Å; S531-L533 PolarHBondContact OG-N 3.18Å; L533-M535 VanDerWaalsContact C-N 3.33Å; L533-M535 PolarHBondContact O-N 2.89Å; L533-L536 WeakPolarHBondContact O-CB 3.48Å; L533-L536 PolarHBondContact O-N 3.47Å; L533-L536 VanDerWaalsContact O-N 3.15Å; L533-R537 PolarHBondContact O-N 3.49Å
534D92.8Very high91.4Very high50 Ų5050.8 Ų50.827%0.26725%0.247SC..Hα-helixtrans-72.8-29.5-179.6-53.8-50.7000112.1S531 R537 H538S531-D534 WeakPolarHBondContact CB-OD2 3.46Å; S531-D534 PolarHBondContact N-OD2 2.82Å; S531-D534 VanDerWaalsContact OG-CG 3.23Å; S531-D534 PolarHBondContact OG-N 3.11Å; S531-D534 VanDerWaalsContact OG-N 3.1Å; S531-D534 PolarHBondContact OG-OD2 3.26Å; D534-R537 PolarHBondContact O-N 3.28Å; D534-R537 IonicContact OD1-CZ 2.78Å; D534-R537 IonicContact OD1-NH1 3.04Å; D534-R537 PolarHBondContact OD1-NH1 2.97Å; D534-H538 VanDerWaalsContact O-CB 3.28Å; D534-H538 WeakPolarHBondContact O-CB 3.33Å; D534-H538 PolarHBondContact O-N 3.46Å
535M95.1Very high91Very high0 Ų053 Ų530%026%0.262CS..Hα-helixtrans-62.7-41.4167.6-178.6-83.5-58.800111.5I489 L501 L514 C522 V524 F529 S531 V532 L533 F539I489-M535 HydrophobicContact CD1-CE 3.92Å; L501-M535 HydrophobicContact CD2-SD 4.23Å; L514-M535 HydrophobicContact CD1-CE 3.9Å; L514-M535 HydrophobicContact CD2-CE 4.02Å; L514-M535 HydrophobicContact CD2-SD 4.35Å; C522-M535 HydrophobicContact CB-CB 4.42Å; V524-M535 HydrophobicContact CG2-CG 3.91Å; F529-M535 HydrophobicContact CB-CB 4.01Å; F529-M535 HydrophobicContact CD1-CB 4.32Å; F529-M535 HydrophobicContact CD2-CB 3.52Å; F529-M535 HydrophobicContact CD2-CG 3.61Å; F529-M535 HydrophobicContact CE2-CB 4.03Å; F529-M535 HydrophobicContact CE2-CG 3.69Å; F529-M535 HydrophobicContact CG-CB 3.68Å; F529-M535 HydrophobicContact CG-CG 4.27Å; F529-M535 HydrophobicContact CZ-CG 4.43Å; S531-M535 PolarHBondContact O-N 3.08Å; V532-M535 HydrophobicContact CG1-CE 3.77Å; V532-M535 WeakPolarHBondContact O-CB 3.29Å; V532-M535 PolarHBondContact O-N 2.92Å; L533-M535 VanDerWaalsContact C-N 3.33Å; L533-M535 PolarHBondContact O-N 2.89Å; M535-F539 HydrophobicContact CG-CD2 3.93Å; M535-F539 HydrophobicContact CG-CE2 3.74Å; M535-F539 WeakPolarHBondContact O-CD2 3.44Å; M535-F539 PolarHBondContact O-N 2.72Å; M535-F539 HydrophobicContact SD-CD2 3.52Å; M535-F539 VanDerWaalsContact SD-CD2 3.52Å; M535-F539 HydrophobicContact SD-CE2 3.74Å
536L94.9Very high90.7Very high0 Ų051.1 Ų51.10%025%0.254CS..Hα-helixtrans-67.3-44.6174.1-67.6177.6000112.4L420 W462 F487 I489 V532 L533 H538 F539 H540 L556L420-L536 HydrophobicContact CD2-CB 4.42Å; W462-L536 HydrophobicContact CD2-CD1 3.92Å; W462-L536 VanDerWaalsContact CE2-CD1 3.46Å; W462-L536 HydrophobicContact CG-CD1 4.31Å; W462-L536 HydrophobicContact CH2-CD1 4.39Å; W462-L536 HydrophobicContact CZ2-CD1 3.71Å; F487-L536 HydrophobicContact CD2-CD2 4.42Å; F487-L536 HydrophobicContact CE1-CD2 4.5Å; F487-L536 HydrophobicContact CE2-CD1 4.37Å; F487-L536 HydrophobicContact CE2-CD2 3.61Å; F487-L536 HydrophobicContact CZ-CD1 4.33Å; F487-L536 HydrophobicContact CZ-CD2 3.66Å; I489-L536 HydrophobicContact CD1-CD1 4.48Å; I489-L536 HydrophobicContact CD1-CD2 4.15Å; V532-L536 WeakPolarHBondContact O-CG 3.43Å; V532-L536 PolarHBondContact O-N 3.44Å; V532-L536 VanDerWaalsContact O-N 3.08Å; L533-L536 WeakPolarHBondContact O-CB 3.48Å; L533-L536 PolarHBondContact O-N 3.47Å; L533-L536 VanDerWaalsContact O-N 3.15Å; L536-H538 VanDerWaalsContact C-N 3.33Å; L536-H538 PolarHBondContact O-N 2.97Å; L536-F539 PolarHBondContact O-N 3.03Å; L536-H540 WeakPolarHBondContact O-CB 3.48Å; L536-H540 PolarHBondContact O-N 3.09Å; L536-L556 HydrophobicContact CD2-CD1 3.44Å; L536-L556 VanDerWaalsContact CD2-CD1 3.44Å
537R92.9Very high90.1Very high69 Ų6954.2 Ų54.226%0.2627%0.269SS..Hα-helixtrans-56.4-46.2173-74177168.81242.4112.1L424 E428 L533 D534 H540 T541L424-R537 HydrophobicContact CD1-CG 4.15Å; L424-R537 HydrophobicContact CD2-CG 3.76Å; E428-R537 IonicContact OE1-CZ 2.96Å; E428-R537 IonicContact OE1-NE 2.74Å; E428-R537 PolarHBondContact OE1-NE 3.14Å; E428-R537 IonicContact OE1-NH2 3.39Å; E428-R537 PolarHBondContact OE1-NH2 2.84Å; L533-R537 PolarHBondContact O-N 3.49Å; D534-R537 PolarHBondContact O-N 3.28Å; D534-R537 IonicContact OD1-CZ 2.78Å; D534-R537 IonicContact OD1-NH1 3.04Å; D534-R537 PolarHBondContact OD1-NH1 2.97Å; R537-H540 PolarHBondContact O-N 2.99Å; R537-T541 PolarHBondContact O-OG1 3.48Å
538H93Very high88.5Confident55 Ų5554.7 Ų54.726%0.25528%0.275SS..Hα-helixtrans-63-51.6179.8-177.771.2000110.8F529 D534 L536 H540 T541 H542F529-H538 HydrophobicContact CD1-CB 4.27Å; F529-H538 HydrophobicContact CE1-CB 3.57Å; F529-H538 AromaticContact CE1-CD2 3.53Å; F529-H538 AromaticContact CE1-CG 3.55Å; F529-H538 HydrophobicContact CZ-CB 4.25Å; F529-H538 AromaticContact CZ-CD2 3.55Å; D534-H538 VanDerWaalsContact O-CB 3.28Å; D534-H538 WeakPolarHBondContact O-CB 3.33Å; D534-H538 PolarHBondContact O-N 3.46Å; L536-H538 VanDerWaalsContact C-N 3.33Å; L536-H538 PolarHBondContact O-N 2.97Å; H538-H540 VanDerWaalsContact C-N 3.28Å; H538-H540 PolarHBondContact O-N 3.09Å; H538-T541 PolarHBondContact O-N 3.22Å; H538-T541 VanDerWaalsContact O-N 3.12Å; H538-T541 PolarHBondContact O-OG1 2.82Å; H538-T541 VanDerWaalsContact O-OG1 3.06Å; H538-H542 AromaticContact CE1-CD2 3.77Å; H538-H542 AromaticContact CE1-CG 3.48Å; H538-H542 VanDerWaalsContact CE1-CG 3.48Å; H538-H542 AromaticContact CE1-ND1 3.79Å; H538-H542 AromaticContact ND1-CG 3.72Å; H538-H542 AromaticContact ND1-ND1 3.55Å; H538-H542 WeakPolarHBondContact O-CB 3.34Å; H538-H542 PolarHBondContact O-N 2.92Å; H538-H542 PolarHBondContact O-ND1 3.04Å
539F95.1Very high86.3Confident1 Ų152.4 Ų52.40%0.00429%0.294CS..Hα-helixtrans-76.8-6.5-179.8-62.9-44.9000115.1L512 V524 L527 F529 M535 L536 H542 I544 T555 L556L512-F539 HydrophobicContact CD2-CE2 4.32Å; V524-F539 HydrophobicContact CG1-CE2 4.26Å; V524-F539 HydrophobicContact CG1-CZ 4.43Å; L527-F539 HydrophobicContact CD1-CE1 3.94Å; L527-F539 HydrophobicContact CD1-CZ 3.88Å; F529-F539 HydrophobicContact CE2-CE2 4.19Å; F529-F539 HydrophobicContact CE2-CZ 4.17Å; F529-F539 HydrophobicContact CZ-CE1 4.49Å; F529-F539 HydrophobicContact CZ-CE2 4.28Å; F529-F539 HydrophobicContact CZ-CZ 4.01Å; M535-F539 HydrophobicContact CG-CD2 3.93Å; M535-F539 HydrophobicContact CG-CE2 3.74Å; M535-F539 WeakPolarHBondContact O-CD2 3.44Å; M535-F539 PolarHBondContact O-N 2.72Å; M535-F539 HydrophobicContact SD-CD2 3.52Å; M535-F539 VanDerWaalsContact SD-CD2 3.52Å; M535-F539 HydrophobicContact SD-CE2 3.74Å; L536-F539 PolarHBondContact O-N 3.03Å; F539-H542 WeakPolarHBondContact CA-O 3.45Å; F539-I544 HydrophobicContact CB-CD1 4.49Å; F539-I544 HydrophobicContact CB-CG1 3.87Å; F539-I544 HydrophobicContact CD1-CB 4.28Å; F539-I544 HydrophobicContact CD1-CG1 3.72Å; F539-I544 HydrophobicContact CD2-CG1 4.16Å; F539-I544 HydrophobicContact CE1-CB 4.43Å; F539-I544 HydrophobicContact CE1-CG1 4.28Å; F539-I544 HydrophobicContact CE1-CG2 4.46Å; F539-I544 HydrophobicContact CG-CG1 3.67Å; F539-T555 CarbonylContact O-C 3.57Å; F539-T555 WeakPolarHBondContact O-CA 3.37Å; F539-T555 VanDerWaalsContact O-CB 3.29Å; F539-T555 WeakPolarHBondContact O-CB 3.37Å; F539-L556 HydrophobicContact CB-CD1 3.88Å; F539-L556 HydrophobicContact CB-CG 3.93Å; F539-L556 PolarHBondContact O-N 3.04Å
540H94Very high84.2Confident47 Ų4753.8 Ų53.822%0.21832%0.315CS..Hα-helixtrans-69.9-36.4164.1-175.8-106.4000111.6L420 L424 L536 R537 H538 T555 L556L420-H540 HydrophobicContact CD2-CB 3.96Å; L424-H540 HydrophobicContact CD1-CB 4.25Å; L536-H540 WeakPolarHBondContact O-CB 3.48Å; L536-H540 PolarHBondContact O-N 3.09Å; R537-H540 PolarHBondContact O-N 2.99Å; H538-H540 VanDerWaalsContact C-N 3.28Å; H538-H540 PolarHBondContact O-N 3.09Å; H540-T555 WeakPolarHBondContact O-CB 3.4Å; H540-T555 WeakPolarHBondContact O-CG2 3.41Å; H540-L556 WeakPolarHBondContact CA-O 3.45Å; H540-L556 PolarHBondContact CD2-O 2.89Å
541T91.6Very high82.2Confident93 Ų9355 Ų5557%0.57134%0.335SS*.Hα-helixtrans-105.8-25.8-171.1490000113.8R537 H538R537-T541 PolarHBondContact O-OG1 3.48Å; H538-T541 PolarHBondContact O-N 3.22Å; H538-T541 VanDerWaalsContact O-N 3.12Å; H538-T541 PolarHBondContact O-OG1 2.82Å; H538-T541 VanDerWaalsContact O-OG1 3.06Å
542H90.3Very high80.6Confident96 Ų9654.7 Ų54.744%0.44434%0.335SS..SBendtrans-120.1140.1-178.2-58.970.5000109.7H538 F539H538-H542 AromaticContact CE1-CD2 3.77Å; H538-H542 AromaticContact CE1-CG 3.48Å; H538-H542 VanDerWaalsContact CE1-CG 3.48Å; H538-H542 AromaticContact CE1-ND1 3.79Å; H538-H542 AromaticContact ND1-CG 3.72Å; H538-H542 AromaticContact ND1-ND1 3.55Å; H538-H542 WeakPolarHBondContact O-CB 3.34Å; H538-H542 PolarHBondContact O-N 2.92Å; H538-H542 PolarHBondContact O-ND1 3.04Å; F539-H542 WeakPolarHBondContact CA-O 3.45Å
543P90.7Very high80.2Confident55 Ų5560.4 Ų60.436%0.35737%0.365SS..  trans-66139.5179.926.1-33.5000112.1P545 D553 I554P543-P545 WeakPolarHBondContact O-CD 3.49Å; P543-D553 HydrophobicContact CB-CB 3.84Å; P543-D553 WeakPolarHBondContact CB-OD1 3.23Å; P543-D553 HydrophobicContact CG-CB 4.4Å; P543-D553 WeakPolarHBondContact CG-OD1 3.46Å; P543-I554 CarbonylContact C-O 3.51Å; P543-I554 WeakPolarHBondContact CA-O 3.48Å
544I90.5Very high80.1Confident5 Ų559.3 Ų59.33%0.02636%0.359CS..  trans-64.4122.6172.4-55.5171.8000108.4F503 L512 F539 L546 I554 L556F503-I544 HydrophobicContact CD1-CD1 4.41Å; F503-I544 HydrophobicContact CD2-CD1 4.34Å; F503-I544 HydrophobicContact CE1-CD1 4.16Å; F503-I544 HydrophobicContact CE2-CD1 4.09Å; F503-I544 HydrophobicContact CG-CD1 4.49Å; F503-I544 HydrophobicContact CZ-CD1 3.98Å; L512-I544 HydrophobicContact CD2-CG2 3.81Å; F539-I544 HydrophobicContact CB-CD1 4.49Å; F539-I544 HydrophobicContact CB-CG1 3.87Å; F539-I544 HydrophobicContact CD1-CB 4.28Å; F539-I544 HydrophobicContact CD1-CG1 3.72Å; F539-I544 HydrophobicContact CD2-CG1 4.16Å; F539-I544 HydrophobicContact CE1-CB 4.43Å; F539-I544 HydrophobicContact CE1-CG1 4.28Å; F539-I544 HydrophobicContact CE1-CG2 4.46Å; F539-I544 HydrophobicContact CG-CG1 3.67Å; I544-L546 HydrophobicContact CB-CD2 4.41Å; I544-L546 HydrophobicContact CG2-CD2 3.72Å; I544-L546 HydrophobicContact CG2-CG 4.45Å; I544-L546 PolarHBondContact O-N 3.05Å; I544-I554 HydrophobicContact CB-CG2 4.23Å; I544-I554 HydrophobicContact CD1-CG1 4.35Å; I544-I554 PolarHBondContact N-O 3.42Å; I544-L556 HydrophobicContact CD1-CD2 3.85Å; I544-L556 HydrophobicContact CD1-CG 4.21Å
545P83.5Confident80.2Confident48 Ų4858.2 Ų58.231%0.31235%0.354SS..  trans-68.9108.7177.327.1-33.2000110.1Q525 L527 P543Q525-P545 PolarHBondContact NE2-O 3.2Å; L527-P545 HydrophobicContact CD1-CG 4.08Å; P543-P545 WeakPolarHBondContact O-CD 3.49Å
546L79.7Confident80.3Confident46 Ų4658.2 Ų58.224%0.24135%0.354CS..  trans-109.3129.9176.2-57.3-171.4000111F503 F505 I544 S548 I554F503-L546 HydrophobicContact CE2-CD1 4.28Å; F503-L546 HydrophobicContact CZ-CD1 4.22Å; F503-L546 HydrophobicContact CZ-CD2 4Å; F505-L546 HydrophobicContact CD2-CD1 4.06Å; F505-L546 HydrophobicContact CE2-CD1 4.2Å; F505-L546 HydrophobicContact CG-CD1 4.37Å; I544-L546 HydrophobicContact CB-CD2 4.41Å; I544-L546 HydrophobicContact CG2-CD2 3.72Å; I544-L546 HydrophobicContact CG2-CG 4.45Å; I544-L546 PolarHBondContact O-N 3.05Å; L546-S548 PolarHBondContact O-N 2.85Å; L546-I554 HydrophobicContact CD1-CG2 3.87Å; L546-I554 HydrophobicContact CG-CG2 4.19Å
547E68.1Low80.3Confident195 Ų19565.6 Ų65.691%0.91138%0.382SS*.SBendtrans-65.3-6.1168.3-56.3-174.5146.900112.9G549E547-G549 PolarHBondContact O-N 3.48Å; E547-G549 VanDerWaalsContact O-N 3.13Å
548S55.3Low80.4Confident52 Ų5263.5 Ų63.536%0.36438%0.378SS..SBendtrans-78.685171.4-590000110K510 L546 G550K510-S548 PolarHBondContact NZ-OG 2.9Å; L546-S548 PolarHBondContact O-N 2.85Å; S548-G550 VanDerWaalsContact C-N 3.26Å; S548-G550 PolarHBondContact O-N 3.32Å
549G45.7Very low80.5Confident87 Ų8761.5 Ų61.590%0.89737%0.369SS*.  trans-65.369.6-175.400000115.8E547E547-G549 PolarHBondContact O-N 3.48Å; E547-G549 VanDerWaalsContact O-N 3.13Å
550G48.3Very low80.5Confident53 Ų5361.5 Ų61.555%0.54637%0.369SS..  trans-100158.3160.700000110.8S548 A552S548-G550 VanDerWaalsContact C-N 3.26Å; S548-G550 PolarHBondContact O-N 3.32Å; G550-A552 PolarHBondContact O-N 2.87Å
551S48.8Very low80.4Confident135 Ų13566 Ų6694%0.94438%0.384SS*.SBendtrans-76.619.3-176.752.40000115.2
552A59.1Low80.1Confident26 Ų2662.6 Ų62.622%0.21537%0.365CS..  trans-121.2108.8-170.800000111.9F505 G550F505-A552 WeakPolarHBondContact CE2-O 3.49Å; F505-A552 HydrophobicContact CZ-CB 4.35Å; G550-A552 PolarHBondContact O-N 2.87Å
553D82.5Confident79.1Confident130 Ų13064.7 Ų64.770%0.69538%0.375SS*.  trans-58.5136.9166.3-72.6-48.4000111.1P543P543-D553 HydrophobicContact CB-CB 3.84Å; P543-D553 WeakPolarHBondContact CB-OD1 3.23Å; P543-D553 HydrophobicContact CG-CB 4.4Å; P543-D553 WeakPolarHBondContact CG-OD1 3.46Å
554I91.4Very high77.5Confident3 Ų364.7 Ų64.72%0.01539%0.385CS..  trans-125.1109.1-176.6167.264.6000110.1H484 F503 F505 P543 I544 L546H484-I554 VanDerWaalsContact NE2-CD1 3.27Å; H484-I554 WeakPolarHBondContact NE2-CD1 3.46Å; F503-I554 HydrophobicContact CD2-CD1 4.2Å; F503-I554 HydrophobicContact CD2-CG1 4Å; F503-I554 HydrophobicContact CE2-CD1 4.47Å; F503-I554 HydrophobicContact CE2-CG1 3.82Å; F505-I554 HydrophobicContact CD2-CB 3.65Å; F505-I554 HydrophobicContact CD2-CD1 4.35Å; F505-I554 HydrophobicContact CD2-CG1 3.93Å; F505-I554 HydrophobicContact CD2-CG2 3.78Å; F505-I554 HydrophobicContact CE2-CB 3.79Å; F505-I554 HydrophobicContact CE2-CG2 3.71Å; P543-I554 CarbonylContact C-O 3.51Å; P543-I554 WeakPolarHBondContact CA-O 3.48Å; I544-I554 HydrophobicContact CB-CG2 4.23Å; I544-I554 HydrophobicContact CD1-CG1 4.35Å; I544-I554 PolarHBondContact N-O 3.42Å; L546-I554 HydrophobicContact CD1-CG2 3.87Å; L546-I554 HydrophobicContact CG-CG2 4.19Å
555T94.9Very high75.5Confident27 Ų2770.2 Ų70.217%0.16642%0.421CS..  trans-101.1152.5166.9560000111G485 F539 H540G485-T555 VanDerWaalsContact CA-O 3.27Å; G485-T555 WeakPolarHBondContact CA-O 3.48Å; F539-T555 CarbonylContact O-C 3.57Å; F539-T555 WeakPolarHBondContact O-CA 3.37Å; F539-T555 VanDerWaalsContact O-CB 3.29Å; F539-T555 WeakPolarHBondContact O-CB 3.37Å; H540-T555 WeakPolarHBondContact O-CB 3.4Å; H540-T555 WeakPolarHBondContact O-CG2 3.41Å
556L96.1Very high73.6Confident0 Ų073.4 Ų73.40%044%0.442CS..  trans-72.3128.6167.8-59.8-178.3000108.6L420 F487 L501 F503 L536 F539 H540 I544L420-L556 HydrophobicContact CD2-CB 3.84Å; F487-L556 HydrophobicContact CB-CD2 4.01Å; F487-L556 HydrophobicContact CD1-CB 3.9Å; F487-L556 HydrophobicContact CD1-CD1 4.28Å; F487-L556 HydrophobicContact CD1-CD2 3.83Å; F487-L556 HydrophobicContact CD1-CG 4.22Å; F487-L556 HydrophobicContact CE1-CB 3.93Å; F487-L556 HydrophobicContact CE1-CD1 4.3Å; F487-L556 HydrophobicContact CG-CD2 4.02Å; L501-L556 HydrophobicContact CD1-CD1 4.31Å; L501-L556 HydrophobicContact CD1-CD2 4.44Å; L501-L556 HydrophobicContact CD2-CD1 4.03Å; L501-L556 HydrophobicContact CD2-CD2 4.28Å; F503-L556 HydrophobicContact CB-CD2 4.21Å; L536-L556 HydrophobicContact CD2-CD1 3.44Å; L536-L556 VanDerWaalsContact CD2-CD1 3.44Å; F539-L556 HydrophobicContact CB-CD1 3.88Å; F539-L556 HydrophobicContact CB-CG 3.93Å; F539-L556 PolarHBondContact O-N 3.04Å; H540-L556 WeakPolarHBondContact CA-O 3.45Å; H540-L556 PolarHBondContact CD2-O 2.89Å; I544-L556 HydrophobicContact CD1-CD2 3.85Å; I544-L556 HydrophobicContact CD1-CG 4.21Å
557R94.6Very high71.7Confident154 Ų15477 Ų7758%0.58147%0.468SS*.  trans-121.6-35.7-172.9-69.1-178175-118.1-1.8113.2L420 G485L420-R557 PolarHBondContact N-O 2.89Å; G485-R557 PolarHBondContact O-N 2.9Å
558S95.4Very high70.5Confident26 Ų2676.3 Ų76.318%0.18247%0.465CS..EExtended strand (participates in β ladder)trans-154158.4-17851.40000110.6V418 G485 L486 F487V418-S558 CarbonylContact O-C 3.56Å; V418-S558 WeakPolarHBondContact O-CA 3.44Å; V418-S558 WeakPolarHBondContact O-CB 3.07Å; G485-S558 PolarHBondContact O-N 3.1Å; L486-S558 CarbonylContact C-O 2.99Å; L486-S558 VanDerWaalsContact CA-O 3.26Å; L486-S558 WeakPolarHBondContact CA-O 3.38Å; L486-S558 WeakPolarHBondContact CD1-OG 3.22Å; F487-S558 WeakPolarHBondContact CD1-O 3.46Å; F487-S558 WeakPolarHBondContact CE1-O 3.49Å; F487-S558 PolarHBondContact N-O 3.08Å
559Y95.8Very high70.3Confident13 Ų1379.6 Ų79.65%0.05149%0.485CS..EExtended strand (participates in β ladder)trans-119.7151174.861.5-87.2000111.1H417 V418 F423 P461 W462 F487 R561H417-Y559 WeakPolarHBondContact CA-O 3.14Å; V418-Y559 HydrophobicContact CB-CD1 4.27Å; V418-Y559 HydrophobicContact CB-CD2 4.36Å; V418-Y559 HydrophobicContact CB-CE1 3.76Å; V418-Y559 HydrophobicContact CB-CE2 3.87Å; V418-Y559 HydrophobicContact CG1-CE1 3.84Å; V418-Y559 HydrophobicContact CG1-CE2 4.45Å; V418-Y559 WeakPolarHBondContact CG1-OH 3.26Å; V418-Y559 HydrophobicContact CG2-CE2 4.11Å; V418-Y559 PolarHBondContact N-O 3.15Å; V418-Y559 WeakPolarHBondContact O-CD1 3.08Å; V418-Y559 PolarHBondContact O-N 2.8Å; F423-Y559 HydrophobicContact CB-CE1 3.86Å; F423-Y559 HydrophobicContact CG-CE1 4.34Å; P461-Y559 HydrophobicContact CB-CE2 3.88Å; P461-Y559 HydrophobicContact CG-CE2 3.93Å; P461-Y559 WeakPolarHBondContact O-CD2 3.16Å; P461-Y559 WeakPolarHBondContact O-CE2 3.33Å; W462-Y559 HydrophobicContact CB-CD1 4.37Å; W462-Y559 HydrophobicContact CB-CD2 3.69Å; W462-Y559 HydrophobicContact CB-CE2 4.37Å; W462-Y559 HydrophobicContact CB-CG 3.68Å; F487-Y559 VanDerWaalsContact O-CA 3.26Å; F487-Y559 WeakPolarHBondContact O-CA 3.41Å; Y559-R561 HydrophobicContact CE2-CB 4.48Å; Y559-R561 PolarHBondContact O-N 2.92Å
560V94.5Very high70.5Confident1 Ų178.1 Ų78.11%0.00647%0.469CS..EExtended strand (participates in β ladder)trans-77.7120.1166.3-171.80000106.9L415 H464 L475 L486 F487 V488 A562L415-V560 HydrophobicContact CB-CG1 4.4Å; L415-V560 HydrophobicContact CD2-CG1 4.3Å; H464-V560 PolarHBondContact NE2-O 2.87Å; L475-V560 HydrophobicContact CB-CG2 4.21Å; L475-V560 HydrophobicContact CD1-CG1 4.43Å; L475-V560 HydrophobicContact CD2-CG1 4.46Å; L486-V560 HydrophobicContact CD1-CG2 3.75Å; L486-V560 HydrophobicContact CD2-CG2 3.94Å; L486-V560 HydrophobicContact CG-CG2 3.92Å; F487-V560 PolarHBondContact O-N 3.4Å; V488-V560 HydrophobicContact CG1-CB 3.69Å; V488-V560 HydrophobicContact CG1-CG2 3.94Å; V560-A562 PolarHBondContact O-N 3.44Å
561R91.3Very high70.5Confident141 Ų14182 Ų8253%0.53249%0.485SS..PPolyproline II helixtrans-61127.4177.5-174.9172.3-179.3170.12.1110I416 V418 P461 Y559 Q563I416-R561 HydrophobicContact CB-CB 4.33Å; I416-R561 PolarHBondContact O-N 2.78Å; V418-R561 HydrophobicContact CG2-CB 4.2Å; P461-R561 HydrophobicContact CB-CG 4.4Å; P461-R561 CarbonylContact O-C 3.58Å; P461-R561 WeakPolarHBondContact O-CA 3.34Å; Y559-R561 HydrophobicContact CE2-CB 4.48Å; Y559-R561 PolarHBondContact O-N 2.92Å; R561-Q563 PolarHBondContact O-N 2.98Å
562A84.9Confident70.3Confident22 Ų2279.6 Ų79.618%0.18247%0.473CS..PPolyproline II helixtrans-63.3122.5167.100000108.9P461 F463 H464 V560P461-A562 PolarHBondContact O-N 3.42Å; F463-A562 WeakPolarHBondContact O-CB 3.46Å; H464-A562 PolarHBondContact NE2-N 3.22Å; V560-A562 PolarHBondContact O-N 3.44Å
563Q70.6Confident69.7Low139 Ų13983.9 Ų83.965%0.6550%0.499SS*.PPolyproline II helixtrans-77.4122.3161.4-61.7-163.634.500106.4E413 R561E413-Q563 PolarHBondContact OE1-NE2 3.23Å; R561-Q563 PolarHBondContact O-N 2.98Å
564G57.4Low67.8Low55 Ų5583.9 Ų83.957%0.56751%0.506SS*.  trans-64.4178.7170.200000111
565P48.6Very low65.4Low122 Ų12288.3 Ų88.379%0.79254%0.543SS*.PPolyproline II helixtrans-50.3137.2166.6-22.233.2000109.4
566P41.9Very low62.8Low115 Ų11591.5 Ų91.575%0.74757%0.572SS**PPolyproline II helixtrans-55.7138.3165.826.9-33.3000107.4E568P566-E568 PolarHBondContact O-N 2.98Å
567P40.6Very low60.2Low121 Ų12197.5 Ų97.579%0.78661%0.611SS**PPolyproline II helixtrans-55.2136.1176.324.7-33.6000108.4
568E43.1Very low57.7Low180 Ų18094.4 Ų94.484%0.84162%0.619SS**PPolyproline II helixtrans-51.1140.2174.9-84.5-129.1109.500109.4P566 G570P566-E568 PolarHBondContact O-N 2.98Å; E568-G570 VanDerWaalsContact C-N 3.28Å; E568-G570 PolarHBondContact O-N 3.31Å
569P50.2Low55Low122 Ų12299 Ų9979%0.79265%0.648SS**  trans-65.293.5176.527.8-33.4000108.6
570G50.4Low52.3Low55 Ų55104.1 Ų104.157%0.56768%0.683SS**PPolyproline II helixtrans-51.3148.2179.100000111E568 A572E568-G570 VanDerWaalsContact C-N 3.28Å; E568-G570 PolarHBondContact O-N 3.31Å; G570-A572 PolarHBondContact O-N 2.75Å; G570-A572 VanDerWaalsContact O-N 3.08Å
571P49.2Very low49.7Very low134 Ų134109.2 Ų109.287%0.8773%0.725SS**PPolyproline II helixtrans-51.1119.8-166.519.4-32.8000111.1
572A43.4Very low46.9Very low85 Ų85106.9 Ų106.970%0.70273%0.729SS**PPolyproline II helixtrans-56.4140-171.400000111.1G570G570-A572 PolarHBondContact O-N 2.75Å; G570-A572 VanDerWaalsContact O-N 3.08Å
573P47.2Very low44.3Very low117 Ų117117.4 Ų117.476%0.7676%0.764SS**PPolyproline II helixtrans-57.9138.8177.625-34000109.9A575P573-A575 PolarHBondContact O-N 3.08Å
574P42.6Very low42.5Very low129 Ų129116.1 Ų116.184%0.83877%0.77SS**PPolyproline II helixtrans-60.8129.5-170.823.5-33.8000111.1A576P574-A576 PolarHBondContact O-N 3.31Å
575A41.8Very low41Very low97 Ų97120.7 Ų120.780%0.80278%0.782SS**PPolyproline II helixtrans-61.4131.1-178.600000111.3P573P573-A575 PolarHBondContact O-N 3.08Å
576A39.9Very low41.2Very low93 Ų93119.6 Ų119.677%0.76978%0.775SS**PPolyproline II helixtrans-62.9140.4172.600000110.4P574P574-A576 PolarHBondContact O-N 3.31Å
577P40.3Very low41.5Very low126 Ų126120.4 Ų120.482%0.81878%0.78SS**PPolyproline II helixtrans-70.4143.3-172.328.3-35.4000112.5
578A42.7Very low41.1Very low90 Ų90117.9 Ų117.974%0.74478%0.776SS**PPolyproline II helixtrans-70.7144.5171.400000111.3
579P38.2Very low40.6Very low123 Ų123118.7 Ų118.780%0.79978%0.78SS**PPolyproline II helixtrans-67.414617328.8-34.3000111.4
580P39.1Very low39.8Very low120 Ų120121.7 Ų121.778%0.77978%0.783SS**PPolyproline II helixtrans-80.2156.3-170.632.6-36.9000113.8
581A40.3Very low39Very low107 Ų107129.1 Ų129.188%0.88480%0.796SS**  trans-105.8115.8175.400000112.2
582C31.9Very low38.1Very low92 Ų92130.9 Ų130.962%0.62279%0.79SS**  trans-169.6150.9169.760.70000108
583W30.5Very low37.4Very low244 Ų244130.2 Ų130.292%0.92478%0.78SS**  cis-134.6-171.210.3-77.983.7000111
584S33.3Very low36.7Very low111 Ų111129.6 Ų129.678%0.77678%0.778SS**  trans-106.6141.7-166.9-38.20000116.2
585D26.1Very low36.4Very low152 Ų152131.8 Ų131.881%0.81378%0.782SS**  trans76.7-171.5135.9-13920.7000119.1
586P52.7Low36Very low99 Ų99131.5 Ų131.564%0.64378%0.78SS**  -121.4-152.1-112.143.9-25.8000112.7
587P49Very low35.5Very low131 Ų131131.7 Ų131.785%0.85178%0.782SS**  cis-137.2-178.2-4.942.5-23.9000117.2
588G30.3Very low35.1Very low69 Ų69130.2 Ų130.271%0.71178%0.78SS**  trans-173.879.5173.700000121.4
589Q32.7Very low34.5Very low196 Ų196130.8 Ų130.892%0.91678%0.784SS**  trans72.8171.5146.4-53.7-168.77.600121.7
590H34.1Very low34.1Very low185 Ų185130.9 Ų130.986%0.85679%0.787SS**  trans-138.9152.7-156.3-50.4-112000115.4
591Y33.2Very low34.7Very low212 Ų212131 Ų13183%0.83179%0.787SS**  trans-164.3120.3138.1-136.7-110.7000109.4
592F30.5Very low35.3Very low170 Ų170131.3 Ų131.375%0.74678%0.78SS**  59.7125.981-120.4-116.4000114.7
593S30.1Very low35.7Very low72 Ų72131.5 Ų131.550%0.50379%0.789SS.*  cis-161.5143.6-0.5-137.70000115.8
594S31.7Very low35.9Very low103 Ų103125.4 Ų125.472%0.7278%0.783SS**  trans44.5129.6130.1-48.10000123.7
595L36.5Very low36.6Very low175 Ų175126 Ų12692%0.91679%0.785SS**  -161.5149.4110.1-106.1170.5000113.4
596A32.3Very low37Very low92 Ų92124.5 Ų124.576%0.7679%0.786SS**  trans-25.1160.3178.300000120.4
597A30.6Very low36Very low97 Ų97127.7 Ų127.780%0.80280%0.798SS**  cis-158.1177.718.100000114.6
598A32.2Very low35.3Very low95 Ų95126.1 Ų126.179%0.78580%0.796SS**  trans80.295.5157.200000121
599A30.3Very low35.3Very low101 Ų101127.9 Ų127.984%0.83580%0.803SS**  trans69.1122.214400000121.1
600C28Very low35.2Very low126 Ų126122.1 Ų122.185%0.85180%0.797SS**  trans-163.1178179.3-89.90000107.5
601P52.7Low35.1Very low121 Ų121117.6 Ų117.679%0.78679%0.792SS**  -115.6-94.7-77.418.43.4000117.9
602P51.8Low35Very low114 Ų114113.4 Ų113.474%0.7479%0.793SS**  -120.6-159.5-125.642.3-26.9000115.7
603A41.6Very low35Very low97 Ų97110.2 Ų110.280%0.80279%0.792SS**  trans-45152.9-168.400000117.8
604S33.6Very low35.1Very low115 Ų115111.2 Ų111.280%0.80480%0.799SS**  trans-143.5161172.5-81.10000110.1
605P49.2Very low35.2Very low125 Ų125111.9 Ų111.981%0.81280%0.804SS**  trans-109-173.6-131.540.7-38.1000116.3
606S34.5Very low35Very low120 Ų120108.1 Ų108.184%0.83980%0.798SS**  trans-49.7154.3-179.2-38.60000116.5
607D31Very low35.1Very low166 Ų166109.7 Ų109.789%0.88880%0.803SS**  trans-152.1167.8145.9-145.3-21.6000112
608A33.9Very low35.1Very low97 Ų97110.4 Ų110.480%0.80280%0.803SS**  trans65.3128.8172.800000118.6
609A31.7Very low35.2Very low106 Ų106110.9 Ų110.988%0.87680%0.8SS**  trans-136.1156.2177.400000112.7
610G29.8Very low35.7Very low76 Ų76112.2 Ų112.278%0.78480%0.803SS**  trans83.4168.3166.100000116.7
611A31.3Very low36Very low90 Ų90110.8 Ų110.874%0.74480%0.801SS**  cis-174.1140.1-22.700000109.2
612S31.4Very low35.1Very low124 Ų124109.7 Ų109.787%0.86780%0.802SS**  trans63.6148.2164-53.60000116.4
613S31.5Very low34.1Very low102 Ų102110.3 Ų110.371%0.71381%0.809SS**  cis-162.2169.228.349.50000112.2
614S32.4Very low33.6Very low94 Ų94109.2 Ų109.266%0.65781%0.807SS**  trans48.5102.8152.752.70000118.5
615S33.9Very low34.5Very low116 Ų116109.7 Ų109.781%0.81181%0.807SS**  69.5140.884.578.20000114.7
616A30.7Very low33.6Very low97 Ų97108.3 Ų108.380%0.80281%0.807SS**  cis-152.518010.800000112.3
617S35.3Very low34.4Very low124 Ų124107.9 Ų107.987%0.86780%0.801SS**  trans-59.9147.3-177-40.70000116
618S30.8Very low34.4Very low113 Ų113107 Ų10779%0.7980%0.802SS**  trans-144.7143.8142.756.30000109.2
619S34.5Very low34.3Very low104 Ų104113.7 Ų113.773%0.72781%0.806SS**  cis162.8134-30.9460000105.7
620S40.9Very low35.4Very low129 Ų129113.5 Ų113.590%0.90280%0.796SS**  trans-62.6140.4176.9-29.40000112.6
621A34.6Very low35.5Very low97 Ų97115.8 Ų115.880%0.80280%0.795SS**  trans-165.4152.9167.700000110.6
622A32.6Very low35.5Very low98 Ų98120.3 Ų120.381%0.8180%0.8SS**  cis-167.3-176.3-20.400000108.7
623S30.8Very low35.6Very low126 Ų126117.5 Ų117.588%0.88179%0.791SS**  trans-116.3131.1177.5-57.10000113.7
624G31.1Very low36.8Very low75 Ų75118.3 Ų118.377%0.77379%0.794SS**  trans72.5-178.1165.800000117.1
625P53.6Low37Very low124 Ų124122.1 Ų122.181%0.80581%0.806SS**  cis-138.9152.6-10.539.4-22.4000117
626A28.5Very low36.8Very low97 Ų97122.2 Ų122.280%0.80281%0.807SS**  trans59.7174.3150.700000120.4
627P51.7Low37Very low111 Ų111122.5 Ų122.572%0.72180%0.798SS**  cis-128.1-168.6-46.832.2-13.2000113.9
628T31.2Very low37.1Very low148 Ų148126.8 Ų126.891%0.90880%0.796SS**  trans109170.2160.674.80000119.5
629R33Very low37Very low236 Ų236125.4 Ų125.489%0.89179%0.786SS**  trans-120.3-176.8-144.5-117.9174.4169172-5.3110.6
630P53.4Low37Very low103 Ų103131.4 Ų131.467%0.66979%0.792SS**  cis-137.4-159.6-8.432.9-8.2000114.2
631V32.9Very low36.6Very low123 Ų123130.1 Ų130.175%0.74578%0.784SS**  trans73.6131.7161.4174.60000115.9
632E31.3Very low36.4Very low185 Ų185132.2 Ų132.286%0.86478%0.781SS**  cis-147.9174.9-3.8-128.7165.5-179.600111.2
633G33.7Very low36.3Very low66 Ų66132.6 Ų132.668%0.6878%0.778SS**  trans-118.5-155.5172.700000111.8
634P56.3Low36.9Very low119 Ų119130.8 Ų130.877%0.77377%0.771SS**  cis-118.7-179.7-5.539.1-21.2000111.8
635L35.6Very low36.8Very low174 Ų174136.7 Ų136.791%0.91178%0.778SS**  -159.1164.171.3-79.7170.7000111.7
636S31.3Very low36.4Very low117 Ų117142 Ų14282%0.81878%0.782SS**  trans-134.4-173.5-169-166.30000113.8
637V35.1Very low36.7Very low103 Ų103145 Ų14562%0.62478%0.783SS**  trans85.7118.8-174.3178.60000112.4
638R35.8Very low35.7Very low215 Ų215146.4 Ų146.481%0.81179%0.785SS**  cis-155.3-177.6-0.8-117.9172.4-157.1122.24.2108.2
639S29.4Very low35.5Very low84 Ų84147 Ų14759%0.58778%0.777SS**  cis-160.9171.217.7-138.50000113.8
640R34.6Very low35.4Very low229 Ų229139.4 Ų139.486%0.86477%0.765SS**  trans12.6117.3150.7-61173.8-178.6-176.6-2.5118.5
641S32.3Very low34.2Very low102 Ų102141.1 Ų141.171%0.71377%0.773SS**  cis61.9132.410.2179.50000115
642N31.2Very low34Very low142 Ų142139.7 Ų139.776%0.75977%0.774SS**  cis-147.5-170.40.5-122.562.1000108.8
643S30.2Very low34.1Very low106 Ų106135.7 Ų135.774%0.74177%0.773SS**  cis-158.5-16611.7-142.50000111.5
644A42.1Very low34Very low87 Ų87137.3 Ų137.372%0.71978%0.78SS**  trans-130.6168.5169.400000113
645E30Very low32.9Very low200 Ų200136 Ų13694%0.93578%0.779SS**  trans147.4177.9149.8-76.6-153.897.800115.1
646R45.6Very low32.7Very low236 Ų236132.6 Ų132.689%0.89178%0.776SS**  trans-124.2-178.8-167.6-62.4-177.178.5-167.46113.9
647L33.7Very low32.7Very low158 Ų158131 Ų13183%0.82777%0.77SS**  trans84.5151.4174.5-57169.4000114.9
648L31.8Very low32.4Very low142 Ų142134.9 Ų134.974%0.74378%0.781SS**  cis-100.1-137.60.8-69.2159.2000110.6
649E26.5Very low32Very low159 Ų159132.9 Ų132.974%0.74378%0.781SS**  cis-158.8172.5-1.2-167.544.788.600110.7
650A31Very low32.7Very low78 Ų78133.7 Ų133.765%0.64578%0.784SS**  trans-127.6170.7-171.700000117
651V28.9Very low32.3Very low139 Ų139130.9 Ų130.984%0.84278%0.781SS**  trans174138.8132.1149.70000113.1
652A28.6Very low32.1Very low92 Ų92134.5 Ų134.576%0.7679%0.787SS**  trans59.9125.4169.700000118.8
653A32.6Very low31.8Very low102 Ų102132 Ų13284%0.84379%0.786SS**  cis90.1134.425.700000115.2
654A32.8Very low32Very low100 Ų100131.5 Ų131.583%0.82679%0.788SS**  cis-166.2-174.1-17.400000107.6
655A31.8Very low32.1Very low91 Ų91133.6 Ų133.675%0.75280%0.795SS**  cis-162.5-176.83.200000110.2
656A31.4Very low32.1Very low103 Ų103127.5 Ų127.585%0.85179%0.785SS**  trans69.2143.4163.400000119.2
657A31Very low31.5Very low84 Ų84127.8 Ų127.869%0.69479%0.787SS**  cis-163.9162.8-14.200000112.4
658E29.5Very low31.6Very low184 Ų184125 Ų12586%0.8679%0.786SS**  trans59.2154.2163.8-52.6-44.991.100124.3
659E27.3Very low31.9Very low173 Ų173129 Ų12981%0.80879%0.791SS**  trans-116.9-177.2171.3-92.5-89.714600108.2
660P44Very low32.3Very low101 Ų101126.3 Ų126.366%0.65680%0.796SS**  cis-136.4-173.1342.4-24000116.3
661Q27.1Very low32.3Very low169 Ų169128.2 Ų128.279%0.7980%0.799SS**  trans59.8124.3140.5-177.1-179.1-20.600122.4
662E26.7Very low32.5Very low178 Ų178130.3 Ų130.383%0.83280%0.8SS**  trans-178.6173.4134.7-103.3-81.648.200112.9
663A26.4Very low32.5Very low90 Ų90132.3 Ų132.374%0.74480%0.798SS**  trans-108.7-166.5-159.900000118.8
664A34.4Very low32.6Very low96 Ų96135.7 Ų135.779%0.79380%0.796SS**  trans-63.4-180-17500000114.8
665P43.7Very low32.6Very low131 Ų131140.1 Ų140.185%0.85179%0.793SS**  cis-130-177.811.138.3-17.9000114.7
666G29.6Very low32.7Very low72 Ų72141 Ų14174%0.74279%0.794SS**  cis13466.32.200000112.2A668G666-A668 PolarHBondContact O-N 3.4Å
667R32.9Very low32.8Very low242 Ų242144.2 Ų144.291%0.91379%0.789SS**  trans-83.492-176.2-170.9176.6-177.2176.71.7112
668A35.3Very low33.2Very low98 Ų98154.4 Ų154.481%0.8181%0.811SS**  trans-59.9144.1-179.500000113.4G666G666-A668 PolarHBondContact O-N 3.4Å
669R38.1Very low33.3Very low227 Ų227153 Ų15386%0.85781%0.809SS**  trans-110.8137.3169-67.1-179.5174.593.4-6.7108.4
670A34.3Very low33.6Very low102 Ų102151.9 Ų151.984%0.84381%0.809SS**  trans-71.8132.1172.400000110.3
671V32.9Very low33.1Very low119 Ų119154.7 Ų154.772%0.72182%0.818SS**  trans-114.1130.2172.9178.10000107.8N673V671-N673 WeakPolarHBondContact CG1-OD1 3.29Å
672E31.8Very low33.4Very low183 Ų183153.9 Ų153.986%0.85582%0.819SS**  trans-9992.5177.9-176.1161.8-140.400109.7
673N28.3Very low33.8Very low133 Ų133152.4 Ų152.471%0.71182%0.818SS**  trans-91.4114.3172.6-77.7-8.7000110V671V671-N673 WeakPolarHBondContact CG1-OD1 3.29Å
674Q35Very low34.3Very low173 Ų173156.5 Ų156.581%0.80882%0.823SS**  trans-87.3134.3158.9-68.6179.8-38.700108.7
675Y32.2Very low34.3Very low193 Ų193160.9 Ų160.976%0.75783%0.826SS**  trans-132.6122.7163.3-105.5-83.7000108.8F677Y675-F677 AromaticContact CD1-CE2 3.73Å; Y675-F677 HydrophobicContact CD1-CE2 3.73Å; Y675-F677 HydrophobicContact CD1-CZ 4.18Å; Y675-F677 HydrophobicContact CE1-CE2 4.47Å; Y675-F677 HydrophobicContact CG-CE2 4.47Å
676S35.5Very low33.6Very low111 Ų111163.2 Ų163.278%0.77682%0.824SS**  trans-87.6140.9171.3-50.70000109.3
677F33.2Very low34Very low169 Ų169170.8 Ų170.874%0.74183%0.83SS**  trans-140.7157.5161.5-81.8-71.4000110.3Y675Y675-F677 AromaticContact CD1-CE2 3.73Å; Y675-F677 HydrophobicContact CD1-CE2 3.73Å; Y675-F677 HydrophobicContact CD1-CZ 4.18Å; Y675-F677 HydrophobicContact CE1-CE2 4.47Å; Y675-F677 HydrophobicContact CG-CE2 4.47Å
678Y38.1Very low34.1Very low299 Ų299164.3 Ų164.3100%1.17382%0.823SS**  trans-65.50-166.3-63.2-94.7000114.6

Retrieved 678 of 678 residues in 1723.4 ms (Link to these results)