A0A087YSB5_POEFO Loading...

Forkhead box protein D2-like

AlphaFold DB (A0A3P9P426), UniProt , Accession A0A087YSB5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 368 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
1M38.9Very low47.8Very low234 Ų234140.4 Ų140.4100%1.15384%0.835SS**  0143.60-72.3161.4169.400107.5
2T43.2Very low47.6Very low138 Ų138137.2 Ų137.285%0.84784%0.836SS**  trans34.695.6162.652.80000117.7
3L47.9Very low47.2Very low170 Ų170139.6 Ų139.689%0.8984%0.84SS**  trans-74146.2145.1-72.4170.3000108.2
4G47.6Very low47.1Very low72 Ų72136.8 Ų136.874%0.74283%0.829SS**  trans-79.1147.317400000111.7
5T52.7Low47.1Very low127 Ų127139.4 Ų139.478%0.77983%0.829SS**  trans-125.5102.7167.4-59.50000107.6M7T5-M7 HydrophobicContact CG2-CG 4.43Å
6D56.2Low47.1Very low151 Ų151139.9 Ų139.981%0.80783%0.827SS**  trans-83.3123.8160.753.4-56.7000109.5
7M50Low47.3Very low167 Ų167138.3 Ų138.382%0.82382%0.818SS**  trans-97.3144.5162.9-72.7169.7144.900107.6T5T5-M7 HydrophobicContact CG2-CG 4.43Å
8S56.1Low47.3Very low110 Ų110139.2 Ų139.277%0.76982%0.818SS**  trans-150.9120.9166.8-77.90000109.2
9D41.3Very low47.5Very low150 Ų150139.6 Ų139.680%0.80282%0.815SS**  trans-74.6123.8-171.4-62.8-80.8000112.7S11D9-S11 PolarHBondContact O-N 3.31Å
10S44Very low47.4Very low124 Ų124140 Ų14087%0.86781%0.813SS**  trans-89.474.7162.4-69.70000109.5A12S10-A12 PolarHBondContact O-N 3.41Å; S10-A12 VanDerWaalsContact O-N 3.08Å
11S47.8Very low47.4Very low101 Ų101139.1 Ų139.171%0.70681%0.81SS**  trans-59.3110.5171.3-68.80000110.1D9 L13D9-S11 PolarHBondContact O-N 3.31Å; S11-L13 PolarHBondContact O-N 2.98Å; S11-L13 VanDerWaalsContact O-N 3.17Å
12A45.7Very low47.8Very low102 Ų102134.4 Ų134.484%0.84379%0.794SS**  trans-66.5113.3174.600000109.6S10 S14S10-A12 PolarHBondContact O-N 3.41Å; S10-A12 VanDerWaalsContact O-N 3.08Å; A12-S14 PolarHBondContact O-N 3.08Å
13L41.9Very low47.7Very low169 Ų169130.9 Ų130.989%0.88579%0.785SS**  trans-68.5124.4170.3-67.7174.5000108.8S11 E15S11-L13 PolarHBondContact O-N 2.98Å; S11-L13 VanDerWaalsContact O-N 3.17Å; L13-E15 PolarHBondContact O-N 3.17Å
14S46.5Very low47.2Very low100 Ų100125.7 Ų125.770%0.69977%0.773SS**  trans-69.7115.216648.70000108.8A12 D16A12-S14 PolarHBondContact O-N 3.08Å; S14-D16 PolarHBondContact O-N 3.31Å
15E46.8Very low47Very low176 Ų176129.5 Ų129.582%0.82278%0.776SS**  trans-82.7109.4170.256.6-169.5169.700109.7L13 V17L13-E15 PolarHBondContact O-N 3.17Å; E15-V17 PolarHBondContact O-N 3.03Å
16D47Very low46.8Very low148 Ų148131 Ų13179%0.79178%0.778SS**  trans-70.9109.3175.6-66.5-65.9000109.8S14S14-D16 PolarHBondContact O-N 3.31Å
17V50.3Low46.3Very low112 Ų112129 Ų12968%0.67978%0.776SS**  trans-96.193.6176.6-177.10000109.3E15 I19E15-V17 PolarHBondContact O-N 3.03Å; V17-I19 PolarHBondContact O-N 3.17Å; V17-I19 VanDerWaalsContact O-N 3.12Å
18D47.9Very low46Very low154 Ų154127.4 Ų127.482%0.82478%0.775SS**  trans-60.6110.4167.3-86.1-53000110D20D18-D20 PolarHBondContact O-N 3.48Å; D18-D20 VanDerWaalsContact O-N 3.11Å
19I50.3Low45.2Very low147 Ų147124.7 Ų124.775%0.75476%0.764SS**  trans-83.187.7175.7-58.4178.1000108.1V17 V21V17-I19 PolarHBondContact O-N 3.17Å; V17-I19 VanDerWaalsContact O-N 3.12Å; I19-V21 PolarHBondContact O-N 3.42Å
20D45.8Very low45.6Very low147 Ų147128 Ų12879%0.78677%0.772SS**  trans-64.1118.1176.1-162.51.9000110.5D18 V22D18-D20 PolarHBondContact O-N 3.48Å; D18-D20 VanDerWaalsContact O-N 3.11Å; D20-V22 PolarHBondContact O-N 3.46Å
21V48.6Very low46Very low123 Ų123127.7 Ų127.775%0.74576%0.76SS**  trans-82.789.1-172.4-179.60000109.1I19 G23I19-V21 PolarHBondContact O-N 3.42Å; V21-G23 VanDerWaalsContact C-N 3.34Å; V21-G23 PolarHBondContact O-N 3.35Å
22V45.6Very low46.2Very low135 Ų135127.1 Ų127.182%0.81877%0.77SS**  trans-60.595.2171.2-179.10000109.6D20D20-V22 PolarHBondContact O-N 3.46Å
23G41.7Very low46.1Very low63 Ų63130.2 Ų130.265%0.64977%0.765SS**  trans-64.2130.9174.500000110.9V21V21-G23 VanDerWaalsContact C-N 3.34Å; V21-G23 PolarHBondContact O-N 3.35Å
24G37.6Very low46.1Very low62 Ų62133.1 Ų133.164%0.63977%0.765SS**  trans-60137.3-178.800000112.9I26G24-I26 PolarHBondContact O-N 2.87Å
25D42.6Very low46Very low151 Ų151134.8 Ų134.881%0.80777%0.765SS**  trans-75.279.5-175.256-49.9000112.4S27D25-S27 PolarHBondContact O-N 3.15Å
26I48.8Very low45.7Very low159 Ų159133.8 Ų133.882%0.81576%0.76SS**  trans-6594.9172.1-63.4172.2000109.1G24 V28G24-I26 PolarHBondContact O-N 2.87Å; I26-V28 PolarHBondContact O-N 3.11Å
27S45.5Very low45.5Very low109 Ų109133.3 Ų133.376%0.76275%0.753SS**  trans-75103.8178.819.80000110.1D25 G29D25-S27 PolarHBondContact O-N 3.15Å; S27-G29 PolarHBondContact O-N 3.37Å; S27-G29 VanDerWaalsContact O-N 3.13Å
28V44Very low44.8Very low133 Ų133136 Ų13681%0.80676%0.758SS**  trans-70.8107-177.8178.60000110.7I26I26-V28 PolarHBondContact O-N 3.11Å
29G39.2Very low44.4Very low53 Ų53136.7 Ų136.755%0.54675%0.754SS.*  trans-59.6146.3169.200000112S27 D31S27-G29 PolarHBondContact O-N 3.37Å; S27-G29 VanDerWaalsContact O-N 3.13Å; G29-D31 VanDerWaalsContact C-N 3.27Å; G29-D31 PolarHBondContact O-N 3.23Å
30K50.6Low44Very low221 Ų221135.5 Ų135.596%0.96175%0.749SS**SBendtrans-92.823.9-169.9-151.7167.7-177.3173.10114.1
31D52.3Low43.9Very low117 Ų117135.6 Ų135.663%0.62675%0.749SS**SBendtrans-136.8128.3169.560.5-57000108.5G29 K33G29-D31 VanDerWaalsContact C-N 3.27Å; G29-D31 PolarHBondContact O-N 3.23Å; D31-K33 PolarHBondContact O-N 3.43Å
32G51Low43.6Very low89 Ų89135.8 Ų135.892%0.91875%0.746SS**  trans-76.549.6-165.100000115.2
33K43.6Very low43.6Very low166 Ų166135.5 Ų135.572%0.72274%0.74SS**  trans-123.198.8-173.7-168.9176.6-176.8-178.90111.1D31 I35D31-K33 PolarHBondContact O-N 3.43Å; K33-I35 PolarHBondContact O-N 3.48Å
34Y43Very low43.7Very low230 Ų230137.4 Ų137.490%0.90274%0.735SS**  trans-57.2108.6175-64.8-88.6000111.2H36Y34-H36 PolarHBondContact O-N 3.18Å
35I43.2Very low43.8Very low135 Ų135138.8 Ų138.869%0.69274%0.735SS**  trans-8295.3164.2-61.9-176.3000107K33 H37K33-I35 PolarHBondContact O-N 3.48Å; I35-H37 VanDerWaalsContact C-N 3.35Å; I35-H37 PolarHBondContact O-N 2.98Å
36H42.1Very low44.3Very low155 Ų155139.2 Ų139.272%0.71874%0.737SS**  trans-70.193.2171.1-166.3-92.1000108.4Y34 E38Y34-H36 PolarHBondContact O-N 3.18Å; H36-E38 PolarHBondContact O-N 3.26Å
37H42.5Very low44.1Very low138 Ų138139.5 Ų139.564%0.63974%0.74SS**  trans-62.6105.8169.4-93.6-83.3000108.4I35 F39I35-H37 VanDerWaalsContact C-N 3.35Å; I35-H37 PolarHBondContact O-N 2.98Å; H37-F39 VanDerWaalsContact C-N 3.32Å; H37-F39 HydrophobicContact CB-CE1 4.26Å; H37-F39 WeakPolarHBondContact O-CD2 3.44Å; H37-F39 WeakPolarHBondContact O-CE2 3.47Å; H37-F39 WeakPolarHBondContact O-CZ 3.3Å; H37-F39 PolarHBondContact O-N 3.3Å
38E35.8Very low44.2Very low170 Ų170141.2 Ų141.279%0.79474%0.741SS**  trans-6693.9171.3-70.5-174.3131.900109.4H36 N40H36-E38 PolarHBondContact O-N 3.26Å; E38-N40 PolarHBondContact O-N 3.46Å
39F38.3Very low44.1Very low168 Ų168145 Ų14574%0.73774%0.742SS**  trans-64.886.3157.4-15.8-90.3000106.3H37 L41H37-F39 VanDerWaalsContact C-N 3.32Å; H37-F39 HydrophobicContact CB-CE1 4.26Å; H37-F39 WeakPolarHBondContact O-CD2 3.44Å; H37-F39 WeakPolarHBondContact O-CE2 3.47Å; H37-F39 WeakPolarHBondContact O-CZ 3.3Å; H37-F39 PolarHBondContact O-N 3.3Å; F39-L41 PolarHBondContact O-N 2.93Å
40N41.3Very low44.3Very low121 Ų121148 Ų14865%0.64776%0.755SS**  trans-73.672.7177.8-166.637.9000109.8E38 D42E38-N40 PolarHBondContact O-N 3.46Å; N40-D42 VanDerWaalsContact C-N 3.27Å; N40-D42 PolarHBondContact ND2-OD1 2.88Å; N40-D42 PolarHBondContact O-N 3.12Å
41L44.3Very low43.7Very low149 Ų149145.9 Ų145.978%0.7875%0.748SS**  trans-62.695.6155.4-73.5165.1000105.8F39 N43F39-L41 PolarHBondContact O-N 2.93Å; L41-N43 PolarHBondContact O-N 3.12Å
42D42.5Very low42.8Very low128 Ų128145.6 Ų145.668%0.68476%0.756SS**  trans-61.275.4170.3-71.3-39.7000109.3N40N40-D42 VanDerWaalsContact C-N 3.27Å; N40-D42 PolarHBondContact ND2-OD1 2.88Å; N40-D42 PolarHBondContact O-N 3.12Å
43N45.5Very low42.3Very low128 Ų128146.5 Ų146.568%0.68475%0.754SS**  trans-70.1136.8174.7-179.472.9000108.8L41 S45L41-N43 PolarHBondContact O-N 3.12Å; N43-S45 PolarHBondContact O-N 3.07Å
44D44.4Very low42.1Very low103 Ų103143 Ų14355%0.55176%0.756SS**  trans-63.3102.1175.9-89.6-60000110R184D44-R184 IonicContact OD1-CZ 2.75Å; D44-R184 VanDerWaalsContact OD1-CZ 3.25Å; D44-R184 IonicContact OD1-NH1 3.58Å; D44-R184 PolarHBondContact OD1-NH1 2.58Å; D44-R184 IonicContact OD1-NH2 2.81Å; D44-R184 PolarHBondContact OD1-NH2 3.11Å; D44-R184 IonicContact OD2-CZ 3.9Å; D44-R184 IonicContact OD2-NH1 2.67Å; D44-R184 IonicContact OD2-NH2 3.67Å; D44-R184 PolarHBondContact OD2-NH2 2.84Å
45S40Very low41.8Very low91 Ų91140 Ų14064%0.63675%0.75SS**  trans-104.2137166.5-72.60000110N43 D47N43-S45 PolarHBondContact O-N 3.07Å; S45-D47 PolarHBondContact O-N 3.25Å; S45-D47 VanDerWaalsContact O-N 3.08Å
46D51.9Low41.5Very low161 Ų161145.3 Ų145.386%0.86176%0.762SS**  trans-82.779.5-169.7-71.8-74.2000114N48D46-N48 VanDerWaalsContact C-N 3.27Å; D46-N48 PolarHBondContact O-N 2.9Å
47D45.8Very low41.2Very low164 Ų164141.1 Ų141.188%0.87776%0.761SS**  trans-72.180.4168.7-78.4-24.2000111.6S45 Y49S45-D47 PolarHBondContact O-N 3.25Å; S45-D47 VanDerWaalsContact O-N 3.08Å; D47-Y49 PolarHBondContact O-N 3.11Å; D47-Y49 VanDerWaalsContact O-N 3.11Å
48N46.3Very low40.8Very low146 Ų146140.8 Ų140.878%0.78177%0.774SS**  trans-71.795174.4175.325.5000111.6D46D46-N48 VanDerWaalsContact C-N 3.27Å; D46-N48 PolarHBondContact O-N 2.9Å
49Y43.5Very low40.9Very low213 Ų213138.1 Ų138.184%0.83577%0.774SS**  trans-124.190.1166.7-150.5-90.4000111.7D47D47-Y49 PolarHBondContact O-N 3.11Å; D47-Y49 VanDerWaalsContact O-N 3.11Å
50S42.6Very low41.6Very low115 Ų115136.4 Ų136.480%0.80478%0.78SS**  trans-151.363.6176.2-75.90000111.9
51Q39Very low41.1Very low176 Ų176134.3 Ų134.382%0.82279%0.787SS**  trans-147.2130.5170-139.5158.63.700107.4
52S33.1Very low40.8Very low112 Ų112135.8 Ų135.878%0.78380%0.795SS**  cis-139.7144.26.252.60000112
53A40Very low40.4Very low108 Ų108135 Ų13589%0.89380%0.799SS**  trans-138.687.8169.400000109.9
54A38.5Very low39.9Very low91 Ų91133.2 Ų133.275%0.75280%0.797SS**  trans-156.3152.9176.900000110.6
55E38.4Very low39.6Very low168 Ų168133.2 Ų133.279%0.78581%0.805SS**  trans5693163-64.4-58.6101.100118.9
56R35.2Very low39.3Very low246 Ų246136.2 Ų136.293%0.92881%0.813SS**  -171.2134.4108.7-96.1151.1-160.6-88.1-1.8112
57G37.2Very low38.7Very low68 Ų68134.5 Ų134.570%0.70181%0.813SS**  trans-113.8-179.1168.800000112.5
58S34.1Very low38.7Very low130 Ų130132.3 Ų132.391%0.90981%0.808SS**  trans72.7113.5171.9-58.50000118.5
59S37.5Very low38.2Very low115 Ų115130.8 Ų130.880%0.80481%0.808SS**  trans-71.2-173158.3-31.50000110.9
60P52.2Low38Very low132 Ų132128.7 Ų128.786%0.85781%0.806SS**  cis-133.8175.53.241.8-24.5000116.3
61G30.8Very low38.3Very low77 Ų77129 Ų12979%0.79481%0.806SS**  trans-154.3140.1169.300000111.2
62L38.5Very low38.5Very low180 Ų180128.7 Ų128.794%0.94281%0.808SS**  trans-97.6145.5-171.8-57166000111.8
63S34.8Very low38.6Very low110 Ų110126.9 Ų126.977%0.76981%0.808SS**  179.9139.8124.1-162.40000113.7
64S34.3Very low38.8Very low92 Ų92128 Ų12864%0.64381%0.809SS**  trans33.5128.2145.761.90000122.9
65S37.5Very low38.6Very low103 Ų103127.3 Ų127.372%0.7281%0.81SS**  37.1136.7120.3-44.30000120.2
66D33.6Very low38.8Very low153 Ų153123.5 Ų123.582%0.81881%0.808SS**  cis-148.6165.534.7-89.4-54.3000114
67C39.1Very low38.9Very low125 Ų125120.9 Ų120.985%0.84581%0.806SS**  trans-119.5147.3165.4-64.90000110.8
68P45.8Very low38.8Very low119 Ų119123.6 Ų123.677%0.77381%0.814SS**  trans-135.2122.8144.525.5-6.5000114.6
69S36.4Very low39.1Very low113 Ų113120.5 Ų120.579%0.7980%0.803SS**  trans57.8109.2134.3-49.90000121.7
70E39.8Very low39.2Very low169 Ų169120.9 Ų120.979%0.7980%0.801SS**  trans-53.4160.1146-70.8-81.7112.200112.3
71P48.6Very low39.2Very low123 Ų123123.1 Ų123.180%0.79981%0.805SS**  -128.1138.5124.436.1-30.1000113.9
72L42.5Very low40.1Very low168 Ų168126.7 Ų126.788%0.8880%0.804SS**  trans-68.3138.3-176.6-164.976.1000112.9
73G35.8Very low40.5Very low75 Ų75121 Ų12177%0.77379%0.788SS**  trans-145.5121.9172.400000112.1
74S43.6Very low41.1Very low132 Ų132122.5 Ų122.592%0.92379%0.788SS**  trans-107.4140.1-178.2-1730000111.5
75G35Very low42Very low75 Ų75126.8 Ų126.877%0.77380%0.795SS**  trans-173136.3176.400000110.8
76A42.2Very low42.8Very low89 Ų89127.5 Ų127.574%0.73680%0.797SS**  trans-104.8177.7-177.200000112.3
77E38.5Very low43.7Very low190 Ų190128.8 Ų128.889%0.88879%0.791SS**  trans52.2107.6163.373.8-169.9131.400120.1
78S34.8Very low44.5Very low125 Ų125132.3 Ų132.387%0.87479%0.791SS**  -162.3152.7113-167.10000110.1
79G41Very low45.1Very low65 Ų65130.6 Ų130.667%0.6778%0.782SS**  trans-88153.6-172.600000114.3
80T38.8Very low46.3Very low124 Ų124127.1 Ų127.176%0.76176%0.76SS**  trans-146.5121.7155.8-70.10000109.7I82T80-I82 HydrophobicContact CG2-CG1 3.92Å; T80-I82 PolarHBondContact O-N 3.49Å
81L52.8Low47.9Very low179 Ų179123.3 Ų123.394%0.93775%0.745SS**  trans-77.385.8175.1-61.1175.6000109.6G83L81-G83 VanDerWaalsContact C-N 3.3Å; L81-G83 PolarHBondContact O-N 2.9Å
82I49.3Very low49.5Very low151 Ų151122 Ų12277%0.77474%0.735SS**  trans-75.388.5170.2-56.5-175.4000108T80 D84T80-I82 HydrophobicContact CG2-CG1 3.92Å; T80-I82 PolarHBondContact O-N 3.49Å; I82-D84 PolarHBondContact O-N 2.81Å
83G46Very low51.6Low60 Ų60119.8 Ų119.862%0.61972%0.718SS**  trans-61.3132.1178.400000112.2L81 K85L81-G83 VanDerWaalsContact C-N 3.3Å; L81-G83 PolarHBondContact O-N 2.9Å; G83-K85 VanDerWaalsContact C-N 3.3Å; G83-K85 PolarHBondContact O-N 2.75Å
84D47.5Very low54Low142 Ų142117 Ų11776%0.75969%0.686SS**  trans-63.785.7174.5-86.6-59000111.3I82 P86I82-D84 PolarHBondContact O-N 2.81Å; D84-P86 WeakPolarHBondContact O-CD 3.43Å; D84-P86 VanDerWaalsContact O-N 3.15Å
85K53.7Low56.1Low182 Ų182115.7 Ų115.779%0.79168%0.675SS**PPolyproline II helixtrans-55.8117158.7-78.9176.9175.3170.20106.9G83 R87G83-K85 VanDerWaalsContact C-N 3.3Å; G83-K85 PolarHBondContact O-N 2.75Å; K85-R87 PolarHBondContact O-N 2.97Å
86P54.5Low58.8Low118 Ų118116 Ų11677%0.76665%0.653SS**PPolyproline II helixtrans-55.9119.4-176.321.2-32.2000108.6D84 K88D84-P86 WeakPolarHBondContact O-CD 3.43Å; D84-P86 VanDerWaalsContact O-N 3.15Å; P86-K88 PolarHBondContact O-N 3.08Å
87R52.9Low61.2Low181 Ų181113.8 Ų113.868%0.68363%0.632SS**PPolyproline II helixtrans-57.4137.6-170.4-57.5-66.1-168.8148.35.9108.8K85 S89 A90K85-R87 PolarHBondContact O-N 2.97Å; R87-S89 VanDerWaalsContact CB-OG 3.32Å; R87-S89 WeakPolarHBondContact CB-OG 3.38Å; R87-S89 PolarHBondContact O-N 3.02Å; R87-A90 WeakPolarHBondContact O-CB 3.35Å; R87-A90 PolarHBondContact O-N 2.85Å
88K56.4Low63.9Low198 Ų198108 Ų10886%0.86160%0.602SS**G310 helixtrans-56.3-16.4179.7-65.9-179.3177.3-178.60113.5P86 A90 L91P86-K88 PolarHBondContact O-N 3.08Å; K88-A90 VanDerWaalsContact C-N 3.28Å; K88-A90 PolarHBondContact O-N 3.31Å; K88-L91 PolarHBondContact O-N 2.95Å
89S57.9Low66.7Low83 Ų83103.6 Ų103.658%0.5857%0.569SS**G310 helixtrans-63.5-21.6169.849.10000115R87 L91 V92R87-S89 VanDerWaalsContact CB-OG 3.32Å; R87-S89 WeakPolarHBondContact CB-OG 3.38Å; R87-S89 PolarHBondContact O-N 3.02Å; S89-L91 PolarHBondContact O-N 2.83Å; S89-V92 WeakPolarHBondContact O-CB 3.36Å; S89-V92 PolarHBondContact O-N 2.94Å
90A60.2Low69.2Low40 Ų40100.5 Ų100.533%0.33154%0.537SS..G310 helixtrans-65.5-18.2177.100000113.7R87 K88 P128 Y129R87-A90 WeakPolarHBondContact O-CB 3.35Å; R87-A90 PolarHBondContact O-N 2.85Å; K88-A90 VanDerWaalsContact C-N 3.28Å; K88-A90 PolarHBondContact O-N 3.31Å; A90-P128 HydrophobicContact CB-CG 4.5Å; A90-Y129 PolarHBondContact O-N 3.18Å
91L74.4Confident71.9Confident89 Ų8994.6 Ų94.647%0.46650%0.501SS..G310 helixtrans-101.312.2175.8-60.5175.3000112.8K88 S89 Y129K88-L91 PolarHBondContact O-N 2.95Å; S89-L91 PolarHBondContact O-N 2.83Å; L91-Y129 VanDerWaalsContact O-CD2 3.28Å; L91-Y129 WeakPolarHBondContact O-CD2 3.36Å
92V82.9Confident74Confident97 Ų9786.1 Ų86.159%0.58846%0.456SS*.SBendtrans-87.6136.7171.5177.50000109.2S89 P94S89-V92 WeakPolarHBondContact O-CB 3.36Å; S89-V92 PolarHBondContact O-N 2.94Å; V92-P94 WeakPolarHBondContact O-CD 3.43Å
93K85.3Confident76.2Confident120 Ų12078.9 Ų78.952%0.52242%0.42SS..PPolyproline II helixtrans-57.7120.5176.5-176.1177.5176.7-177.20109.6Y129K93-Y129 HydrophobicContact CB-CD1 4.42Å; K93-Y129 HydrophobicContact CB-CE1 3.9Å; K93-Y129 HydrophobicContact CB-CE2 4.03Å; K93-Y129 HydrophobicContact CG-CE1 3.83Å
94P87.5Confident78.5Confident17 Ų1776.4 Ų76.411%0.1139%0.392CS..PPolyproline II helixtrans-60.2146179.6-24.234.1000112V92 Y96 F127 Y130V92-P94 WeakPolarHBondContact O-CD 3.43Å; P94-Y96 HydrophobicContact CB-CD2 3.78Å; P94-Y96 HydrophobicContact CB-CE2 4.45Å; P94-Y96 PolarHBondContact O-N 2.67Å; P94-F127 HydrophobicContact CB-CD1 4Å; P94-F127 HydrophobicContact CB-CE1 4.09Å; P94-F127 HydrophobicContact CG-CB 4.02Å; P94-F127 HydrophobicContact CG-CD1 3.48Å; P94-F127 VanDerWaalsContact CG-CD1 3.48Å; P94-F127 HydrophobicContact CG-CE1 4.08Å; P94-F127 HydrophobicContact CG-CG 3.84Å; P94-Y130 HydrophobicContact CG-CE2 4.2Å
95P87.6Confident80.8Confident104 Ų10469.7 Ų69.768%0.67536%0.356SS*.SBendtrans-77.140.3-179.634.3-37.7000112.9
96Y90.6Very high82.8Confident83 Ų8361.1 Ų61.133%0.32532%0.319SS..  trans-121.3137.6-176.8-60.8-58.3000110.5P94 L101 M104 F127 F182P94-Y96 HydrophobicContact CB-CD2 3.78Å; P94-Y96 HydrophobicContact CB-CE2 4.45Å; P94-Y96 PolarHBondContact O-N 2.67Å; Y96-L101 HydrophobicContact CD2-CD2 4.42Å; Y96-M104 HydrophobicContact CD1-CE 4.01Å; Y96-M104 HydrophobicContact CD2-CE 3.83Å; Y96-M104 HydrophobicContact CE1-CE 4.34Å; Y96-M104 HydrophobicContact CE2-CE 4.19Å; Y96-M104 HydrophobicContact CG-CE 3.75Å; Y96-F127 HydrophobicContact CD2-CE1 4.12Å; Y96-F127 AromaticContact CD2-CZ 3.92Å; Y96-F127 HydrophobicContact CD2-CZ 3.92Å; Y96-F127 HydrophobicContact CE2-CE1 4.06Å; Y96-F127 HydrophobicContact CE2-CZ 4.03Å; Y96-F182 HydrophobicContact CD1-CB 3.88Å; Y96-F182 HydrophobicContact CE1-CB 3.82Å
97S93.1Very high84.7Confident42 Ų4257.1 Ų57.129%0.29429%0.291SS..  trans-71.2158.6171.2680000110.9I99 A100 L101S97-I99 PolarHBondContact O-N 3.03Å; S97-A100 PolarHBondContact O-N 3.31Å; S97-A100 PolarHBondContact OG-N 2.86Å; S97-L101 WeakPolarHBondContact O-CG 3.44Å; S97-L101 PolarHBondContact O-N 3.43Å
98Y94.8Very high86.6Confident67 Ų6754 Ų5426%0.26328%0.284SS..Hα-helixtrans-56.3-34.5173.7-66.7-62.6000112.4L101 I102 Y130 S140 I141Y98-L101 HydrophobicContact CD1-CD1 4.11Å; Y98-L101 PolarHBondContact O-N 2.92Å; Y98-I102 WeakPolarHBondContact O-CD1 3.41Å; Y98-I102 WeakPolarHBondContact O-CG1 3.22Å; Y98-I102 PolarHBondContact O-N 3.08Å; Y98-Y130 HydrophobicContact CE1-CE1 4.29Å; Y98-S140 PolarHBondContact OH-OG 3.09Å; Y98-I141 HydrophobicContact CD1-CD1 3.69Å; Y98-I141 HydrophobicContact CD1-CG1 4.39Å; Y98-I141 HydrophobicContact CG-CD1 4.36Å
99I94.3Very high88.4Confident33 Ų3345 Ų4517%0.16925%0.246CC..Hα-helixtrans-58.7-51.7172.4-55.4173.7000110.1S97 L101 I102 T103 N148 F151 F177S97-I99 PolarHBondContact O-N 3.03Å; I99-L101 VanDerWaalsContact C-N 3.33Å; I99-L101 PolarHBondContact O-N 3.4Å; I99-I102 PolarHBondContact O-N 2.97Å; I99-T103 WeakPolarHBondContact O-CB 3.15Å; I99-T103 PolarHBondContact O-N 3.14Å; I99-T103 PolarHBondContact O-OG1 2.82Å; I99-T103 VanDerWaalsContact O-OG1 3.09Å; I99-N148 WeakPolarHBondContact CD1-OD1 3.2Å; I99-F151 HydrophobicContact CB-CE2 4.39Å; I99-F151 HydrophobicContact CB-CZ 4.4Å; I99-F151 HydrophobicContact CG1-CE2 4.46Å; I99-F151 HydrophobicContact CG2-CE2 3.98Å; I99-F151 HydrophobicContact CG2-CZ 3.77Å; I99-F177 HydrophobicContact CG2-CE1 4.47Å; I99-F177 HydrophobicContact CG2-CZ 3.93Å
100A93.8Very high90.1Very high1 Ų147.3 Ų47.31%0.00826%0.259CS..Hα-helixtrans-63.5-36.1178.800000113.1S97 M104 F182S97-A100 PolarHBondContact O-N 3.31Å; S97-A100 PolarHBondContact OG-N 2.86Å; A100-M104 WeakPolarHBondContact O-CB 3.34Å; A100-M104 WeakPolarHBondContact O-CE 3.21Å; A100-M104 WeakPolarHBondContact O-CG 3.4Å; A100-M104 PolarHBondContact O-N 3.02Å; A100-F182 HydrophobicContact CB-CB 4.17Å; A100-F182 HydrophobicContact CB-CD1 4.43Å; A100-F182 WeakPolarHBondContact CB-O 3.41Å
101L95.1Very high91.7Very high0 Ų053 Ų530%028%0.277CS..Hα-helixtrans-63.7-45.5174.5-67.1174.4000112.1Y96 S97 Y98 I99 M104 A105 I123 F127 Y130Y96-L101 HydrophobicContact CD2-CD2 4.42Å; S97-L101 WeakPolarHBondContact O-CG 3.44Å; S97-L101 PolarHBondContact O-N 3.43Å; Y98-L101 HydrophobicContact CD1-CD1 4.11Å; Y98-L101 PolarHBondContact O-N 2.92Å; I99-L101 VanDerWaalsContact C-N 3.33Å; I99-L101 PolarHBondContact O-N 3.4Å; L101-M104 HydrophobicContact CD2-CE 4.15Å; L101-A105 PolarHBondContact O-N 2.89Å; L101-I123 HydrophobicContact CB-CD1 3.84Å; L101-I123 HydrophobicContact CB-CG1 4.18Å; L101-I123 HydrophobicContact CD1-CG2 4.48Å; L101-F127 HydrophobicContact CD2-CD2 3.74Å; L101-F127 HydrophobicContact CD2-CE2 3.32Å; L101-F127 HydrophobicContact CD2-CZ 3.95Å; L101-Y130 HydrophobicContact CD1-CE2 3.91Å
102I96.5Very high92.7Very high0 Ų054 Ų540%028%0.277CS..Hα-helixtrans-65.1-47.4176.4-65.4160.1000110.3Y98 I99 M104 A105 I106 I119 I141 N144 L145 F151Y98-I102 WeakPolarHBondContact O-CD1 3.41Å; Y98-I102 WeakPolarHBondContact O-CG1 3.22Å; Y98-I102 PolarHBondContact O-N 3.08Å; I99-I102 PolarHBondContact O-N 2.97Å; I102-M104 VanDerWaalsContact C-N 3.35Å; I102-M104 PolarHBondContact O-N 2.81Å; I102-A105 WeakPolarHBondContact O-CB 3.27Å; I102-A105 PolarHBondContact O-N 2.91Å; I102-A105 VanDerWaalsContact O-N 3.09Å; I102-I106 HydrophobicContact CG2-CD1 3.79Å; I102-I106 HydrophobicContact CG2-CG1 4.39Å; I102-I106 WeakPolarHBondContact O-CG1 3.34Å; I102-I106 PolarHBondContact O-N 3.3Å; I102-I119 HydrophobicContact CG1-CG2 4.05Å; I102-I119 HydrophobicContact CG2-CD1 4.38Å; I102-I141 HydrophobicContact CD1-CD1 4.17Å; I102-I141 HydrophobicContact CD1-CG2 4.39Å; I102-I141 HydrophobicContact CG1-CD1 3.96Å; I102-I141 HydrophobicContact CG1-CG2 4.39Å; I102-N144 HydrophobicContact CD1-CB 3.93Å; I102-L145 HydrophobicContact CD1-CD2 4.09Å; I102-L145 HydrophobicContact CD1-CG 4.03Å; I102-L145 HydrophobicContact CG2-CD2 3.67Å; I102-F151 HydrophobicContact CB-CE1 4.03Å; I102-F151 HydrophobicContact CB-CE2 4.19Å; I102-F151 HydrophobicContact CB-CZ 3.67Å; I102-F151 HydrophobicContact CD1-CE2 3.97Å; I102-F151 HydrophobicContact CD1-CZ 4.33Å; I102-F151 HydrophobicContact CG2-CD1 3.81Å; I102-F151 HydrophobicContact CG2-CD2 4.42Å; I102-F151 HydrophobicContact CG2-CE1 3.39Å; I102-F151 HydrophobicContact CG2-CE2 4.04Å; I102-F151 HydrophobicContact CG2-CG 4.32Å; I102-F151 HydrophobicContact CG2-CZ 3.51Å
103T95.1Very high93.3Very high0 Ų052.9 Ų52.90%026%0.262CS..Hα-helixtrans-60.9-42.1179-61.20000111.8I99 A105 I106 L107 L169 F177I99-T103 WeakPolarHBondContact O-CB 3.15Å; I99-T103 PolarHBondContact O-N 3.14Å; I99-T103 PolarHBondContact O-OG1 2.82Å; I99-T103 VanDerWaalsContact O-OG1 3.09Å; T103-A105 VanDerWaalsContact C-N 3.31Å; T103-A105 PolarHBondContact O-N 3.42Å; T103-I106 PolarHBondContact O-N 3.25Å; T103-L107 HydrophobicContact CG2-CD1 3.62Å; T103-L107 HydrophobicContact CG2-CG 3.97Å; T103-L107 WeakPolarHBondContact O-CB 3.34Å; T103-L107 VanDerWaalsContact O-CG 3.32Å; T103-L107 WeakPolarHBondContact O-CG 3.26Å; T103-L107 PolarHBondContact O-N 3.34Å; T103-L169 HydrophobicContact CG2-CD1 4.09Å; T103-L169 HydrophobicContact CG2-CD2 3.94Å; T103-F177 HydrophobicContact CG2-CB 3.8Å; T103-F177 HydrophobicContact CG2-CD1 4.16Å; T103-F177 HydrophobicContact CG2-CD2 3.8Å; T103-F177 HydrophobicContact CG2-CE2 4.39Å; T103-F177 HydrophobicContact CG2-CG 3.66Å
104M94.8Very high93.8Very high8 Ų848.1 Ų48.14%0.03924%0.242CC..Hα-helixtrans-59.2-39.6173.4-82.8-171.8-83.100112.6Y96 A100 L101 I102 Q108 F122 F127 F182Y96-M104 HydrophobicContact CD1-CE 4.01Å; Y96-M104 HydrophobicContact CD2-CE 3.83Å; Y96-M104 HydrophobicContact CE1-CE 4.34Å; Y96-M104 HydrophobicContact CE2-CE 4.19Å; Y96-M104 HydrophobicContact CG-CE 3.75Å; A100-M104 WeakPolarHBondContact O-CB 3.34Å; A100-M104 WeakPolarHBondContact O-CE 3.21Å; A100-M104 WeakPolarHBondContact O-CG 3.4Å; A100-M104 PolarHBondContact O-N 3.02Å; L101-M104 HydrophobicContact CD2-CE 4.15Å; I102-M104 VanDerWaalsContact C-N 3.35Å; I102-M104 PolarHBondContact O-N 2.81Å; M104-Q108 WeakPolarHBondContact O-CB 3.29Å; M104-Q108 VanDerWaalsContact O-CG 3.28Å; M104-Q108 WeakPolarHBondContact O-CG 3.47Å; M104-Q108 PolarHBondContact O-N 2.83Å; M104-Q108 VanDerWaalsContact O-N 3.11Å; M104-F122 HydrophobicContact CB-CE1 4.25Å; M104-F122 HydrophobicContact CB-CZ 4.42Å; M104-F127 HydrophobicContact CE-CZ 4.23Å; M104-F182 HydrophobicContact CG-CD1 3.8Å; M104-F182 HydrophobicContact CG-CE1 3.64Å; M104-F182 HydrophobicContact CG-CG 4.34Å; M104-F182 HydrophobicContact CG-CZ 4.04Å
105A96.1Very high94.3Very high1 Ų147.7 Ų47.71%0.00824%0.24CC..Hα-helixtrans-63.9-51176.600000111.3L101 I102 T103 Q108 S109 L114 I119 F122L101-A105 PolarHBondContact O-N 2.89Å; I102-A105 WeakPolarHBondContact O-CB 3.27Å; I102-A105 PolarHBondContact O-N 2.91Å; I102-A105 VanDerWaalsContact O-N 3.09Å; T103-A105 VanDerWaalsContact C-N 3.31Å; T103-A105 PolarHBondContact O-N 3.42Å; A105-Q108 PolarHBondContact O-N 3.06Å; A105-S109 PolarHBondContact O-N 3.02Å; A105-S109 VanDerWaalsContact O-N 3.1Å; A105-L114 HydrophobicContact CB-CD1 3.76Å; A105-L114 WeakPolarHBondContact O-CD1 3.47Å; A105-I119 HydrophobicContact CB-CG1 4.42Å; A105-F122 VanDerWaalsContact CA-CE1 3.45Å; A105-F122 HydrophobicContact CB-CB 4.14Å; A105-F122 HydrophobicContact CB-CD1 3.32Å; A105-F122 HydrophobicContact CB-CD2 4.38Å; A105-F122 HydrophobicContact CB-CE1 3.69Å; A105-F122 HydrophobicContact CB-CG 3.7Å; A105-F122 HydrophobicContact CB-CZ 4.33Å
106I95.5Very high94.7Very high1 Ų145.5 Ų45.51%0.00522%0.222CC..Hα-helixtrans-63.2-45.5-178.4-65.2175.7000110.9I102 T103 Q108 S109 K112 F151 W167 L169I102-I106 HydrophobicContact CG2-CD1 3.79Å; I102-I106 HydrophobicContact CG2-CG1 4.39Å; I102-I106 WeakPolarHBondContact O-CG1 3.34Å; I102-I106 PolarHBondContact O-N 3.3Å; T103-I106 PolarHBondContact O-N 3.25Å; I106-Q108 PolarHBondContact O-N 2.89Å; I106-S109 WeakPolarHBondContact O-CB 3.37Å; I106-S109 PolarHBondContact O-N 3.17Å; I106-S109 PolarHBondContact O-OG 3.36Å; I106-K112 VanDerWaalsContact CG2-O 3.26Å; I106-K112 WeakPolarHBondContact CG2-O 3.36Å; I106-F151 HydrophobicContact CD1-CD1 4.04Å; I106-F151 HydrophobicContact CD1-CE1 4.27Å; I106-W167 HydrophobicContact CD1-CB 4.47Å; I106-L169 HydrophobicContact CG2-CB 4.28Å
107L93.2Very high94.9Very high35 Ų3545.5 Ų45.518%0.18323%0.234CC..Hα-helixtrans-67.3-31.1-179.9-70.8179.3000113.5T103 K112 L169 F177T103-L107 HydrophobicContact CG2-CD1 3.62Å; T103-L107 HydrophobicContact CG2-CG 3.97Å; T103-L107 WeakPolarHBondContact O-CB 3.34Å; T103-L107 VanDerWaalsContact O-CG 3.32Å; T103-L107 WeakPolarHBondContact O-CG 3.26Å; T103-L107 PolarHBondContact O-N 3.34Å; L107-K112 HydrophobicContact CD2-CD 4.46Å; L107-K112 PolarHBondContact O-NZ 3.39Å; L107-L169 HydrophobicContact CD2-CD2 4.01Å; L107-L169 HydrophobicContact CG-CD2 4.38Å; L107-F177 HydrophobicContact CD1-CB 4.35Å
108Q93.8Very high95.1Very high114 Ų11447.1 Ų47.153%0.53324%0.237SC..Hα-helixtrans-82.8-11175.5-68-174.6-4.300113.1M104 A105 I106 F122M104-Q108 WeakPolarHBondContact O-CB 3.29Å; M104-Q108 VanDerWaalsContact O-CG 3.28Å; M104-Q108 WeakPolarHBondContact O-CG 3.47Å; M104-Q108 PolarHBondContact O-N 2.83Å; M104-Q108 VanDerWaalsContact O-N 3.11Å; A105-Q108 PolarHBondContact O-N 3.06Å; I106-Q108 PolarHBondContact O-N 2.89Å; Q108-F122 HydrophobicContact CB-CE2 4.09Å; Q108-F122 HydrophobicContact CB-CZ 4.39Å; Q108-F122 VanDerWaalsContact OE1-CE2 3.24Å
109S94.5Very high95.2Very high9 Ų944 Ų446%0.06323%0.225CC..SBendtrans-73.4136.2171.279.10000111.5A105 I106 K111 K112 R113A105-S109 PolarHBondContact O-N 3.02Å; A105-S109 VanDerWaalsContact O-N 3.1Å; I106-S109 WeakPolarHBondContact O-CB 3.37Å; I106-S109 PolarHBondContact O-N 3.17Å; I106-S109 PolarHBondContact O-OG 3.36Å; S109-K111 PolarHBondContact O-N 3.3Å; S109-K112 PolarHBondContact O-N 2.92Å; S109-K112 VanDerWaalsContact O-N 3.14Å; S109-K112 VanDerWaalsContact OG-CA 3.29Å; S109-K112 WeakPolarHBondContact OG-CA 3.29Å; S109-K112 PolarHBondContact OG-N 3.29Å; S109-R113 PolarHBondContact OG-N 3.26Å; S109-R113 VanDerWaalsContact OG-N 3.14Å
110P94.3Very high95.2Very high133 Ų13343 Ų4386%0.86422%0.22SC*.THydrogen-bonded Turntrans-68-19.4-177.527.2-35.2000113.2
111K93.5Very high95.3Very high160 Ų16048.3 Ų48.370%0.69625%0.245SC*.THydrogen-bonded Turntrans-99.94.8178.8-60.1-177.1-179.6178.40113.2S109 R113S109-K111 PolarHBondContact O-N 3.3Å; K111-R113 HydrophobicContact CB-CG 4.05Å; K111-R113 PolarHBondContact O-N 2.86Å
112K94.9Very high95.3Very high109 Ų10950.3 Ų50.347%0.47425%0.254SS..SBendtrans4727-173.3-56.7-67.3-175.7172.10113.9I106 L107 S109I106-K112 VanDerWaalsContact CG2-O 3.26Å; I106-K112 WeakPolarHBondContact CG2-O 3.36Å; L107-K112 HydrophobicContact CD2-CD 4.46Å; L107-K112 PolarHBondContact O-NZ 3.39Å; S109-K112 PolarHBondContact O-N 2.92Å; S109-K112 VanDerWaalsContact O-N 3.14Å; S109-K112 VanDerWaalsContact OG-CA 3.29Å; S109-K112 WeakPolarHBondContact OG-CA 3.29Å; S109-K112 PolarHBondContact OG-N 3.29Å
113R94.8Very high95.3Very high73 Ų7350.3 Ų50.328%0.27525%0.254SS..EExtended strand (participates in β ladder)trans-148.2131-177.880.3-172.7-1691794.5109.8S109 K111 E157 Y166 W167 T168S109-R113 PolarHBondContact OG-N 3.26Å; S109-R113 VanDerWaalsContact OG-N 3.14Å; K111-R113 HydrophobicContact CB-CG 4.05Å; K111-R113 PolarHBondContact O-N 2.86Å; R113-E157 IonicContact CZ-OE1 2.74Å; R113-E157 IonicContact NH1-OE1 3.81Å; R113-E157 IonicContact NH2-OE1 2.97Å; R113-E157 PolarHBondContact NH2-OE1 3.15Å; R113-Y166 HydrophobicContact CG-CD1 4.02Å; R113-Y166 HydrophobicContact CG-CG 4.27Å; R113-W167 WeakPolarHBondContact CA-O 3.33Å; R113-T168 HydrophobicContact CB-CG2 3.49Å; R113-T168 VanDerWaalsContact CB-CG2 3.49Å
114L96.8Very high95.2Very high20 Ų2051.5 Ų51.511%0.10526%0.262CS..EExtended strand (participates in β ladder)trans-136.5152.6178.7-70.5-177.2000111.3A105 E118 I119 W167A105-L114 HydrophobicContact CB-CD1 3.76Å; A105-L114 WeakPolarHBondContact O-CD1 3.47Å; L114-E118 HydrophobicContact CB-CB 4.28Å; L114-E118 HydrophobicContact CD1-CB 4.49Å; L114-E118 HydrophobicContact CD2-CB 3.91Å; L114-E118 HydrophobicContact CG-CB 4.46Å; L114-I119 HydrophobicContact CB-CD1 4.18Å; L114-I119 HydrophobicContact CB-CG1 3.74Å; L114-I119 HydrophobicContact CD1-CG1 4.03Å; L114-W167 PolarHBondContact N-O 3.19Å; L114-W167 PolarHBondContact O-N 2.93Å
115T97Very high95.1Very high9 Ų955.4 Ų55.46%0.05528%0.283CS..EExtended strand (participates in β ladder)trans-79.9163.8167.4670000111.3S117 E118 I119 R156 Y166T115-S117 PolarHBondContact O-N 3.46Å; T115-S117 VanDerWaalsContact O-N 3.15Å; T115-S117 PolarHBondContact OG1-N 2.96Å; T115-E118 WeakPolarHBondContact CA-OE2 3.45Å; T115-E118 WeakPolarHBondContact CB-OE2 3.38Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.19Å; T115-E118 PolarHBondContact N-OE2 3.14Å; T115-E118 PolarHBondContact O-N 3.06Å; T115-E118 PolarHBondContact OG1-N 3.14Å; T115-E118 PolarHBondContact OG1-OE2 3.18Å; T115-I119 VanDerWaalsContact O-CG1 3.31Å; T115-I119 WeakPolarHBondContact O-CG1 3.21Å; T115-I119 PolarHBondContact O-N 3.18Å; T115-R156 VanDerWaalsContact CG2-NH2 3.34Å; T115-Y166 HydrophobicContact CG2-CD1 3.85Å; T115-Y166 HydrophobicContact CG2-CE1 3.75Å
116L96.1Very high95Very high57 Ų5760.7 Ų60.730%0.29830%0.303SS..Hα-helixtrans-51.8-34.6170.7174.665.6000113C120 I141 R142 L145L116-C120 PolarHBondContact O-N 3.33Å; L116-C120 VanDerWaalsContact O-N 3.13Å; L116-C120 PolarHBondContact O-SG 2.76Å; L116-C120 VanDerWaalsContact O-SG 3.37Å; L116-I141 HydrophobicContact CD1-CG2 3.93Å; L116-R142 HydrophobicContact CD1-CG 3.78Å; L116-R142 HydrophobicContact CD2-CG 3.64Å; L116-R142 HydrophobicContact CG-CG 4.37Å; L116-L145 HydrophobicContact CD1-CD1 3.81Å
117S95.6Very high94.8Very high83 Ų8362 Ų6258%0.5831%0.308SS*.Hα-helixtrans-69.5-49.3-178.7-155.70000111.1T115 I119 C120 E121T115-S117 PolarHBondContact O-N 3.46Å; T115-S117 VanDerWaalsContact O-N 3.15Å; T115-S117 PolarHBondContact OG1-N 2.96Å; S117-I119 VanDerWaalsContact C-N 3.31Å; S117-I119 PolarHBondContact O-N 2.93Å; S117-C120 PolarHBondContact O-N 2.92Å; S117-E121 WeakPolarHBondContact O-CB 3.47Å; S117-E121 PolarHBondContact O-N 3.44Å
118E96.3Very high94.7Very high77 Ų7762.4 Ų62.436%0.3631%0.313SS..Hα-helixtrans-65.4-33.8179.1-65.3153.4125.900111.6L114 T115 F122L114-E118 HydrophobicContact CB-CB 4.28Å; L114-E118 HydrophobicContact CD1-CB 4.49Å; L114-E118 HydrophobicContact CD2-CB 3.91Å; L114-E118 HydrophobicContact CG-CB 4.46Å; T115-E118 WeakPolarHBondContact CA-OE2 3.45Å; T115-E118 WeakPolarHBondContact CB-OE2 3.38Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.19Å; T115-E118 PolarHBondContact N-OE2 3.14Å; T115-E118 PolarHBondContact O-N 3.06Å; T115-E118 PolarHBondContact OG1-N 3.14Å; T115-E118 PolarHBondContact OG1-OE2 3.18Å; E118-F122 WeakPolarHBondContact O-CB 3.32Å; E118-F122 PolarHBondContact O-N 3.29Å
119I96.8Very high94.5Very high0 Ų059.4 Ų59.40%030%0.298CS..Hα-helixtrans-64.7-47.2174-68.2163.7000111I102 A105 L114 T115 S117 I123 I141 L145 W167I102-I119 HydrophobicContact CG1-CG2 4.05Å; I102-I119 HydrophobicContact CG2-CD1 4.38Å; A105-I119 HydrophobicContact CB-CG1 4.42Å; L114-I119 HydrophobicContact CB-CD1 4.18Å; L114-I119 HydrophobicContact CB-CG1 3.74Å; L114-I119 HydrophobicContact CD1-CG1 4.03Å; T115-I119 VanDerWaalsContact O-CG1 3.31Å; T115-I119 WeakPolarHBondContact O-CG1 3.21Å; T115-I119 PolarHBondContact O-N 3.18Å; S117-I119 VanDerWaalsContact C-N 3.31Å; S117-I119 PolarHBondContact O-N 2.93Å; I119-I123 HydrophobicContact CG2-CD1 4Å; I119-I123 VanDerWaalsContact O-CG1 3.27Å; I119-I123 WeakPolarHBondContact O-CG1 3.33Å; I119-I123 PolarHBondContact O-N 3.28Å; I119-I123 VanDerWaalsContact O-N 3.11Å; I119-I141 HydrophobicContact CG2-CG2 4Å; I119-L145 HydrophobicContact CD1-CD1 4.34Å; I119-L145 HydrophobicContact CD1-CD2 4.22Å; I119-W167 HydrophobicContact CD1-CB 4.24Å
120C95.6Very high94.4Very high12 Ų1259.4 Ų59.48%0.08130%0.296CS..Hα-helixtrans-61.5-48.8176-73.40000111.2L116 S117 F122 I123 S124 W137L116-C120 PolarHBondContact O-N 3.33Å; L116-C120 VanDerWaalsContact O-N 3.13Å; L116-C120 PolarHBondContact O-SG 2.76Å; L116-C120 VanDerWaalsContact O-SG 3.37Å; S117-C120 PolarHBondContact O-N 2.92Å; C120-F122 PolarHBondContact O-N 3.02Å; C120-I123 PolarHBondContact O-N 2.6Å; C120-S124 PolarHBondContact O-N 2.83Å; C120-S124 PolarHBondContact O-OG 3.05Å; C120-S124 VanDerWaalsContact O-OG 3.12Å; C120-W137 HydrophobicContact CB-CH2 4.04Å; C120-W137 HydrophobicContact CB-CZ3 4.42Å; C120-W137 WeakPolarHBondContact O-CH2 3.49Å
121E95.4Very high94.1Very high113 Ų11360 Ų6053%0.52828%0.281SS..Hα-helixtrans-58.5-46.9179.1179.5175.717700112.1S117 I123 S124 N125S117-E121 WeakPolarHBondContact O-CB 3.47Å; S117-E121 PolarHBondContact O-N 3.44Å; E121-I123 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 3.37Å; E121-S124 WeakPolarHBondContact CA-OG 3.46Å; E121-S124 PolarHBondContact O-N 2.93Å; E121-S124 PolarHBondContact O-OG 2.74Å; E121-N125 WeakPolarHBondContact CG-ND2 3.47Å; E121-N125 VanDerWaalsContact O-CB 3.24Å; E121-N125 WeakPolarHBondContact O-CB 3.19Å; E121-N125 PolarHBondContact O-N 2.93Å; E121-N125 PolarHBondContact O-ND2 2.81Å; E121-N125 PolarHBondContact O-OD1 3.16Å
122F95.9Very high93.5Very high43 Ų4359.2 Ų59.219%0.18928%0.28CS..Hα-helixtrans-55.9-46.4175.1173.9-87.5000111.8M104 A105 Q108 E118 C120 N125 R126M104-F122 HydrophobicContact CB-CE1 4.25Å; M104-F122 HydrophobicContact CB-CZ 4.42Å; A105-F122 VanDerWaalsContact CA-CE1 3.45Å; A105-F122 HydrophobicContact CB-CB 4.14Å; A105-F122 HydrophobicContact CB-CD1 3.32Å; A105-F122 HydrophobicContact CB-CD2 4.38Å; A105-F122 HydrophobicContact CB-CE1 3.69Å; A105-F122 HydrophobicContact CB-CG 3.7Å; A105-F122 HydrophobicContact CB-CZ 4.33Å; Q108-F122 HydrophobicContact CB-CE2 4.09Å; Q108-F122 HydrophobicContact CB-CZ 4.39Å; Q108-F122 VanDerWaalsContact OE1-CE2 3.24Å; E118-F122 WeakPolarHBondContact O-CB 3.32Å; E118-F122 PolarHBondContact O-N 3.29Å; C120-F122 PolarHBondContact O-N 3.02Å; F122-N125 PolarHBondContact O-N 3.09Å; F122-R126 HydrophobicContact CE1-CB 4.45Å; F122-R126 WeakPolarHBondContact O-CB 3.37Å; F122-R126 PolarHBondContact O-N 2.76Å
123I95.2Very high92.6Very high0 Ų059.6 Ų59.60%028%0.282CS..Hα-helixtrans-65-46-178.5-69.1170.4000110.8L101 I119 C120 E121 N125 F127 Y130 W137 I141L101-I123 HydrophobicContact CB-CD1 3.84Å; L101-I123 HydrophobicContact CB-CG1 4.18Å; L101-I123 HydrophobicContact CD1-CG2 4.48Å; I119-I123 HydrophobicContact CG2-CD1 4Å; I119-I123 VanDerWaalsContact O-CG1 3.27Å; I119-I123 WeakPolarHBondContact O-CG1 3.33Å; I119-I123 PolarHBondContact O-N 3.28Å; I119-I123 VanDerWaalsContact O-N 3.11Å; C120-I123 PolarHBondContact O-N 2.6Å; E121-I123 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 3.37Å; I123-N125 VanDerWaalsContact C-N 3.34Å; I123-N125 PolarHBondContact O-N 3.41Å; I123-F127 WeakPolarHBondContact O-CB 3.47Å; I123-F127 PolarHBondContact O-N 2.74Å; I123-Y130 HydrophobicContact CG2-CD2 3.55Å; I123-Y130 HydrophobicContact CG2-CE2 4.08Å; I123-Y130 HydrophobicContact CG2-CG 3.9Å; I123-W137 HydrophobicContact CB-CH2 4.34Å; I123-W137 HydrophobicContact CB-CZ3 4.17Å; I123-W137 HydrophobicContact CG2-CH2 4.23Å; I123-W137 HydrophobicContact CG2-CZ3 3.89Å; I123-I141 HydrophobicContact CD1-CD1 3.49Å; I123-I141 VanDerWaalsContact CD1-CD1 3.49Å; I123-I141 HydrophobicContact CD1-CG1 4.23Å
124S93.4Very high91.4Very high24 Ų2464.9 Ų64.917%0.16831%0.307CS..Hα-helixtrans-65.2-36176.250.20000112.7C120 E121 R131C120-S124 PolarHBondContact O-N 2.83Å; C120-S124 PolarHBondContact O-OG 3.05Å; C120-S124 VanDerWaalsContact O-OG 3.12Å; E121-S124 WeakPolarHBondContact CA-OG 3.46Å; E121-S124 PolarHBondContact O-N 2.93Å; E121-S124 PolarHBondContact O-OG 2.74Å; S124-R131 WeakPolarHBondContact O-CG 3.35Å; S124-R131 PolarHBondContact O-NE 3.32Å
125N93.4Very high90.8Very high90 Ų9067.3 Ų67.348%0.48132%0.324SS..Hα-helixtrans-72.1-45.6-179.9-70.1-8.5000111E121 F122 I123 R131E121-N125 WeakPolarHBondContact CG-ND2 3.47Å; E121-N125 VanDerWaalsContact O-CB 3.24Å; E121-N125 WeakPolarHBondContact O-CB 3.19Å; E121-N125 PolarHBondContact O-N 2.93Å; E121-N125 PolarHBondContact O-ND2 2.81Å; E121-N125 PolarHBondContact O-OD1 3.16Å; F122-N125 PolarHBondContact O-N 3.09Å; I123-N125 VanDerWaalsContact C-N 3.34Å; I123-N125 PolarHBondContact O-N 3.41Å; N125-R131 PolarHBondContact O-NH2 2.93Å
126R92.9Very high90.5Very high113 Ų11370.7 Ų70.743%0.42635%0.353SS..Hα-helixtrans-69.7-35.4179.5-169.980.8-178.8-73.4-5.9113.3F122F122-R126 HydrophobicContact CE1-CB 4.45Å; F122-R126 WeakPolarHBondContact O-CB 3.37Å; F122-R126 PolarHBondContact O-N 2.76Å
127F92.1Very high90.3Very high27 Ų2768.9 Ų68.912%0.11834%0.342CS..  trans-130.197.7-172-60-72.6000111.4P94 Y96 L101 M104 I123 Y129 Y130P94-F127 HydrophobicContact CB-CD1 4Å; P94-F127 HydrophobicContact CB-CE1 4.09Å; P94-F127 HydrophobicContact CG-CB 4.02Å; P94-F127 HydrophobicContact CG-CD1 3.48Å; P94-F127 VanDerWaalsContact CG-CD1 3.48Å; P94-F127 HydrophobicContact CG-CE1 4.08Å; P94-F127 HydrophobicContact CG-CG 3.84Å; Y96-F127 HydrophobicContact CD2-CE1 4.12Å; Y96-F127 AromaticContact CD2-CZ 3.92Å; Y96-F127 HydrophobicContact CD2-CZ 3.92Å; Y96-F127 HydrophobicContact CE2-CE1 4.06Å; Y96-F127 HydrophobicContact CE2-CZ 4.03Å; L101-F127 HydrophobicContact CD2-CD2 3.74Å; L101-F127 HydrophobicContact CD2-CE2 3.32Å; L101-F127 HydrophobicContact CD2-CZ 3.95Å; M104-F127 HydrophobicContact CE-CZ 4.23Å; I123-F127 WeakPolarHBondContact O-CB 3.47Å; I123-F127 PolarHBondContact O-N 2.74Å; F127-Y129 PolarHBondContact O-N 2.97Å; F127-Y130 HydrophobicContact CB-CD2 3.88Å; F127-Y130 HydrophobicContact CB-CE2 4.35Å; F127-Y130 PolarHBondContact O-N 3.09Å
128P90.5Very high90.3Very high44 Ų4468 Ų6829%0.28633%0.329SS..G310 helixtrans-54-32-174.2-29.536.5000115.4A90 Y130 R131A90-P128 HydrophobicContact CB-CG 4.5Å; P128-Y130 PolarHBondContact O-N 3Å; P128-R131 WeakPolarHBondContact O-CB 3.35Å; P128-R131 WeakPolarHBondContact O-CG 3.45Å; P128-R131 PolarHBondContact O-N 3.42Å
129Y90.1Very high90.2Very high52 Ų5268.8 Ų68.820%0.20434%0.335CS..G310 helixtrans-43.4-35.8171176-103.6000114.8A90 L91 K93 F127 K133A90-Y129 PolarHBondContact O-N 3.18Å; L91-Y129 VanDerWaalsContact O-CD2 3.28Å; L91-Y129 WeakPolarHBondContact O-CD2 3.36Å; K93-Y129 HydrophobicContact CB-CD1 4.42Å; K93-Y129 HydrophobicContact CB-CE1 3.9Å; K93-Y129 HydrophobicContact CB-CE2 4.03Å; K93-Y129 HydrophobicContact CG-CE1 3.83Å; F127-Y129 PolarHBondContact O-N 2.97Å; Y129-K133 VanDerWaalsContact O-CG 3.3Å; Y129-K133 WeakPolarHBondContact O-CG 3.31Å
130Y91.1Very high90.2Very high8 Ų870 Ų703%0.03134%0.344CS..G310 helixtrans-89-3.2-178.6-65.7-72.5000114.5P94 Y98 L101 I123 F127 P128 W137P94-Y130 HydrophobicContact CG-CE2 4.2Å; Y98-Y130 HydrophobicContact CE1-CE1 4.29Å; L101-Y130 HydrophobicContact CD1-CE2 3.91Å; I123-Y130 HydrophobicContact CG2-CD2 3.55Å; I123-Y130 HydrophobicContact CG2-CE2 4.08Å; I123-Y130 HydrophobicContact CG2-CG 3.9Å; F127-Y130 HydrophobicContact CB-CD2 3.88Å; F127-Y130 HydrophobicContact CB-CE2 4.35Å; F127-Y130 PolarHBondContact O-N 3.09Å; P128-Y130 PolarHBondContact O-N 3Å; Y130-W137 HydrophobicContact CD1-CB 4.14Å; Y130-W137 AromaticContact CD1-CD2 3.83Å; Y130-W137 HydrophobicContact CD1-CD2 3.83Å; Y130-W137 HydrophobicContact CD1-CE3 4.17Å; Y130-W137 AromaticContact CD1-CG 3.82Å; Y130-W137 HydrophobicContact CD1-CG 3.82Å; Y130-W137 HydrophobicContact CE1-CB 4.35Å; Y130-W137 HydrophobicContact CE1-CG 4.5Å; Y130-W137 HydrophobicContact CG-CD2 4.39Å; Y130-W137 WeakPolarHBondContact O-CZ2 3.31Å; Y130-W137 PolarHBondContact O-NE1 2.81Å
131R89.8Confident90.2Very high146 Ų14669.5 Ų69.555%0.55134%0.34SS*.THydrogen-bonded Turntrans-76.2-48.1178.2-61177.3-172.1-178.61.8112.2S124 N125 P128 K133S124-R131 WeakPolarHBondContact O-CG 3.35Å; S124-R131 PolarHBondContact O-NE 3.32Å; N125-R131 PolarHBondContact O-NH2 2.93Å; P128-R131 WeakPolarHBondContact O-CB 3.35Å; P128-R131 WeakPolarHBondContact O-CG 3.45Å; P128-R131 PolarHBondContact O-N 3.42Å; R131-K133 VanDerWaalsContact C-N 3.34Å
132E80.4Confident90.2Very high143 Ų14368.8 Ų68.867%0.66833%0.333SS*.SBendtrans-83.2-12.3-174.3-65.4169.9-163.500112.9
133K74.8Confident90.3Very high117 Ų11771.5 Ų71.551%0.50935%0.346SS..SBendtrans-85.1120.2177-61.9-63.4178.6-173.50109.9Y129 R131 W137Y129-K133 VanDerWaalsContact O-CG 3.3Å; Y129-K133 WeakPolarHBondContact O-CG 3.31Å; R131-K133 VanDerWaalsContact C-N 3.34Å; K133-W137 PolarHBondContact O-NE1 3.2Å; K133-W137 VanDerWaalsContact O-NE1 3.12Å
134F70.5Confident90.3Very high184 Ų18472.6 Ų72.681%0.80735%0.352SS*.  trans-42.6152.2169-73.7-79.7000112.5A136F134-A136 PolarHBondContact O-N 3.39Å
135P84.7Confident90.5Very high72 Ų7271.6 Ų71.647%0.46835%0.345SS..THydrogen-bonded Turntrans-66.713.8-163.125.8-36.4000117.3W137 Q138P135-W137 VanDerWaalsContact C-N 3.26Å; P135-W137 PolarHBondContact O-N 2.81Å; P135-Q138 HydrophobicContact CB-CG 4.14Å; P135-Q138 VanDerWaalsContact O-CB 3.31Å; P135-Q138 WeakPolarHBondContact O-CB 3.43Å; P135-Q138 PolarHBondContact O-N 3.36Å
136A89.3Confident90.6Very high79 Ų7971.7 Ų71.765%0.65335%0.353SS*.Hα-helixtrans-53.4-40.8170.300000112.5F134 Q138 N139F134-A136 PolarHBondContact O-N 3.39Å; A136-Q138 PolarHBondContact O-N 3.35Å; A136-N139 WeakPolarHBondContact O-CA 3.19Å; A136-N139 WeakPolarHBondContact O-CB 3.27Å; A136-N139 PolarHBondContact O-N 2.87Å
137W93.1Very high90.6Very high19 Ų1970.2 Ų70.27%0.07235%0.352CS..Hα-helixtrans-67-23.517770.5-96000113.2C120 I123 Y130 K133 P135 N139 S140 I141C120-W137 HydrophobicContact CB-CH2 4.04Å; C120-W137 HydrophobicContact CB-CZ3 4.42Å; C120-W137 WeakPolarHBondContact O-CH2 3.49Å; I123-W137 HydrophobicContact CB-CH2 4.34Å; I123-W137 HydrophobicContact CB-CZ3 4.17Å; I123-W137 HydrophobicContact CG2-CH2 4.23Å; I123-W137 HydrophobicContact CG2-CZ3 3.89Å; Y130-W137 HydrophobicContact CD1-CB 4.14Å; Y130-W137 AromaticContact CD1-CD2 3.83Å; Y130-W137 HydrophobicContact CD1-CD2 3.83Å; Y130-W137 HydrophobicContact CD1-CE3 4.17Å; Y130-W137 AromaticContact CD1-CG 3.82Å; Y130-W137 HydrophobicContact CD1-CG 3.82Å; Y130-W137 HydrophobicContact CE1-CB 4.35Å; Y130-W137 HydrophobicContact CE1-CG 4.5Å; Y130-W137 HydrophobicContact CG-CD2 4.39Å; Y130-W137 WeakPolarHBondContact O-CZ2 3.31Å; Y130-W137 PolarHBondContact O-NE1 2.81Å; K133-W137 PolarHBondContact O-NE1 3.2Å; K133-W137 VanDerWaalsContact O-NE1 3.12Å; P135-W137 VanDerWaalsContact C-N 3.26Å; P135-W137 PolarHBondContact O-N 2.81Å; W137-N139 PolarHBondContact O-N 2.87Å; W137-S140 PolarHBondContact O-N 2.98Å; W137-S140 PolarHBondContact O-OG 2.69Å; W137-I141 HydrophobicContact CE3-CG1 3.9Å; W137-I141 HydrophobicContact CZ3-CG1 4Å; W137-I141 WeakPolarHBondContact O-CG1 3.43Å; W137-I141 PolarHBondContact O-N 3.2Å; W137-I141 VanDerWaalsContact O-N 3.15Å
138Q94.9Very high90.6Very high65 Ų6569.7 Ų69.730%0.30435%0.351SS..Hα-helixtrans-69.8-21.9172.2-55.1-179.6-3.200111.2P135 A136 R142P135-Q138 HydrophobicContact CB-CG 4.14Å; P135-Q138 VanDerWaalsContact O-CB 3.31Å; P135-Q138 WeakPolarHBondContact O-CB 3.43Å; P135-Q138 PolarHBondContact O-N 3.36Å; A136-Q138 PolarHBondContact O-N 3.35Å; Q138-R142 WeakPolarHBondContact O-CG 3.4Å; Q138-R142 PolarHBondContact O-N 3.44Å; Q138-R142 PolarHBondContact O-NH1 2.95Å
139N94.9Very high90.7Very high93 Ų9371 Ų7150%0.49736%0.355SS..Hα-helixtrans-73.3-41.1174.6-151.248.9000111.8A136 W137 I141 R142 H143A136-N139 WeakPolarHBondContact O-CA 3.19Å; A136-N139 WeakPolarHBondContact O-CB 3.27Å; A136-N139 PolarHBondContact O-N 2.87Å; W137-N139 PolarHBondContact O-N 2.87Å; N139-I141 VanDerWaalsContact C-N 3.3Å; N139-I141 PolarHBondContact O-N 3.1Å; N139-R142 PolarHBondContact O-N 3.37Å; N139-R142 PolarHBondContact OD1-NE 3.29Å; N139-R142 VanDerWaalsContact OD1-NE 3.16Å; N139-R142 PolarHBondContact OD1-NH2 3.4Å; N139-H143 WeakPolarHBondContact O-CB 3.4Å; N139-H143 PolarHBondContact O-N 3.11Å
140S95.2Very high90.8Very high27 Ų2768.9 Ų68.919%0.18935%0.348CS..Hα-helixtrans-66.1-31.4172.448.10000112.2Y98 W137 N144Y98-S140 PolarHBondContact OH-OG 3.09Å; W137-S140 PolarHBondContact O-N 2.98Å; W137-S140 PolarHBondContact O-OG 2.69Å; S140-N144 WeakPolarHBondContact O-CB 3.28Å; S140-N144 PolarHBondContact O-N 3.34Å; S140-N144 PolarHBondContact O-ND2 3.15Å
141I96.3Very high91Very high0 Ų069 Ų690%035%0.349CS..Hα-helixtrans-63.1-52.3168.5-65.1-65.1000111.5Y98 I102 L116 I119 I123 W137 N139 H143 N144 L145Y98-I141 HydrophobicContact CD1-CD1 3.69Å; Y98-I141 HydrophobicContact CD1-CG1 4.39Å; Y98-I141 HydrophobicContact CG-CD1 4.36Å; I102-I141 HydrophobicContact CD1-CD1 4.17Å; I102-I141 HydrophobicContact CD1-CG2 4.39Å; I102-I141 HydrophobicContact CG1-CD1 3.96Å; I102-I141 HydrophobicContact CG1-CG2 4.39Å; L116-I141 HydrophobicContact CD1-CG2 3.93Å; I119-I141 HydrophobicContact CG2-CG2 4Å; I123-I141 HydrophobicContact CD1-CD1 3.49Å; I123-I141 VanDerWaalsContact CD1-CD1 3.49Å; I123-I141 HydrophobicContact CD1-CG1 4.23Å; W137-I141 HydrophobicContact CE3-CG1 3.9Å; W137-I141 HydrophobicContact CZ3-CG1 4Å; W137-I141 WeakPolarHBondContact O-CG1 3.43Å; W137-I141 PolarHBondContact O-N 3.2Å; W137-I141 VanDerWaalsContact O-N 3.15Å; N139-I141 VanDerWaalsContact C-N 3.3Å; N139-I141 PolarHBondContact O-N 3.1Å; I141-H143 VanDerWaalsContact C-N 3.3Å; I141-H143 PolarHBondContact O-N 3.19Å; I141-N144 PolarHBondContact O-N 2.85Å; I141-L145 HydrophobicContact CG2-CD1 4.1Å; I141-L145 WeakPolarHBondContact O-CG 3.19Å; I141-L145 PolarHBondContact O-N 3.46Å
142R96.5Very high91.3Very high98 Ų9863.9 Ų63.937%0.3733%0.334SS..Hα-helixtrans-53.2-47.7176.7-75.9-176.8-65.2-94.611.1112L116 Q138 N139 L145 S146L116-R142 HydrophobicContact CD1-CG 3.78Å; L116-R142 HydrophobicContact CD2-CG 3.64Å; L116-R142 HydrophobicContact CG-CG 4.37Å; Q138-R142 WeakPolarHBondContact O-CG 3.4Å; Q138-R142 PolarHBondContact O-N 3.44Å; Q138-R142 PolarHBondContact O-NH1 2.95Å; N139-R142 PolarHBondContact O-N 3.37Å; N139-R142 PolarHBondContact OD1-NE 3.29Å; N139-R142 VanDerWaalsContact OD1-NE 3.16Å; N139-R142 PolarHBondContact OD1-NH2 3.4Å; R142-L145 PolarHBondContact O-N 3.43Å; R142-S146 PolarHBondContact O-N 3.39Å; R142-S146 PolarHBondContact O-OG 2.95Å
143H96.6Very high92Very high100 Ų10063.1 Ų63.146%0.46333%0.328SS..Hα-helixtrans-64.2-41.7178.5170.675.9000112.9N139 I141 L145 S146 L147N139-H143 WeakPolarHBondContact O-CB 3.4Å; N139-H143 PolarHBondContact O-N 3.11Å; I141-H143 VanDerWaalsContact C-N 3.3Å; I141-H143 PolarHBondContact O-N 3.19Å; H143-L145 VanDerWaalsContact C-N 3.33Å; H143-L145 PolarHBondContact O-N 3.01Å; H143-S146 PolarHBondContact O-N 3.31Å; H143-S146 PolarHBondContact O-OG 3.36Å; H143-L147 VanDerWaalsContact CE1-CD1 3.44Å; H143-L147 WeakPolarHBondContact CE1-CD1 3.33Å; H143-L147 WeakPolarHBondContact NE2-CD1 3.27Å; H143-L147 VanDerWaalsContact O-CB 3.22Å; H143-L147 WeakPolarHBondContact O-CB 3.45Å; H143-L147 PolarHBondContact O-N 3.42Å
144N96.6Very high93Very high24 Ų2460.1 Ų60.113%0.12832%0.317CS..Hα-helixtrans-68.5-31.6178.9-87.7-92.5000113I102 S140 I141 S146 N148I102-N144 HydrophobicContact CD1-CB 3.93Å; S140-N144 WeakPolarHBondContact O-CB 3.28Å; S140-N144 PolarHBondContact O-N 3.34Å; S140-N144 PolarHBondContact O-ND2 3.15Å; I141-N144 PolarHBondContact O-N 2.85Å; N144-S146 VanDerWaalsContact C-N 3.34Å; N144-N148 PolarHBondContact O-N 3.37Å; N144-N148 PolarHBondContact O-ND2 3.13Å; N144-N148 PolarHBondContact OD1-ND2 3.25Å
145L96.3Very high94Very high3 Ų355.8 Ų55.82%0.01631%0.308CS..Hα-helixtrans-65.2-35.8172.7-71.5166.9000112.2I102 L116 I119 I141 R142 H143 F151 W167I102-L145 HydrophobicContact CD1-CD2 4.09Å; I102-L145 HydrophobicContact CD1-CG 4.03Å; I102-L145 HydrophobicContact CG2-CD2 3.67Å; L116-L145 HydrophobicContact CD1-CD1 3.81Å; I119-L145 HydrophobicContact CD1-CD1 4.34Å; I119-L145 HydrophobicContact CD1-CD2 4.22Å; I141-L145 HydrophobicContact CG2-CD1 4.1Å; I141-L145 WeakPolarHBondContact O-CG 3.19Å; I141-L145 PolarHBondContact O-N 3.46Å; R142-L145 PolarHBondContact O-N 3.43Å; H143-L145 VanDerWaalsContact C-N 3.33Å; H143-L145 PolarHBondContact O-N 3.01Å; L145-F151 HydrophobicContact CD2-CB 4.08Å; L145-F151 HydrophobicContact CD2-CD2 4.21Å; L145-F151 HydrophobicContact CD2-CG 4.02Å; L145-W167 HydrophobicContact CB-CD2 4.16Å; L145-W167 HydrophobicContact CB-CE3 4.15Å; L145-W167 HydrophobicContact CB-CH2 3.93Å; L145-W167 HydrophobicContact CB-CZ2 3.95Å; L145-W167 HydrophobicContact CB-CZ3 4.03Å; L145-W167 HydrophobicContact CD1-CD2 4.35Å; L145-W167 HydrophobicContact CD1-CG 4.36Å; L145-W167 HydrophobicContact CD2-CB 4.15Å; L145-W167 HydrophobicContact CD2-CD2 3.89Å; L145-W167 HydrophobicContact CD2-CE3 4.09Å; L145-W167 HydrophobicContact CD2-CG 3.92Å; L145-W167 HydrophobicContact CG-CD2 4.37Å; L145-W167 WeakPolarHBondContact O-CZ3 3.34Å
146S95.1Very high94.3Very high92 Ų9255.3 Ų55.364%0.64330%0.297SS*.Hα-helixtrans-89.7-18.2178.559.40000115.1R142 H143 N144R142-S146 PolarHBondContact O-N 3.39Å; R142-S146 PolarHBondContact O-OG 2.95Å; H143-S146 PolarHBondContact O-N 3.31Å; H143-S146 PolarHBondContact O-OG 3.36Å; N144-S146 VanDerWaalsContact C-N 3.34Å
147L93.6Very high94.2Very high81 Ų8156.1 Ų56.142%0.42429%0.287SS..Hα-helixtrans-90.9-29.2-176.3-179.1146.7000114.3H143H143-L147 VanDerWaalsContact CE1-CD1 3.44Å; H143-L147 WeakPolarHBondContact CE1-CD1 3.33Å; H143-L147 WeakPolarHBondContact NE2-CD1 3.27Å; H143-L147 VanDerWaalsContact O-CB 3.22Å; H143-L147 WeakPolarHBondContact O-CB 3.45Å; H143-L147 PolarHBondContact O-N 3.42Å
148N92.6Very high93.7Very high17 Ų1762 Ų629%0.09133%0.328CS..  trans-109.8120.8-171.7-55.3-86.5000111I99 N144 C150 F151 R188I99-N148 WeakPolarHBondContact CD1-OD1 3.2Å; N144-N148 PolarHBondContact O-N 3.37Å; N144-N148 PolarHBondContact O-ND2 3.13Å; N144-N148 PolarHBondContact OD1-ND2 3.25Å; N148-C150 PolarHBondContact O-N 3.15Å; N148-F151 HydrophobicContact CB-CD2 4.33Å; N148-F151 PolarHBondContact O-N 3.27Å; N148-R188 PolarHBondContact OD1-NH1 3.07Å
149D91.6Very high93.1Very high70 Ų7062.1 Ų62.137%0.37435%0.346SS..THydrogen-bonded Turntrans-52.9-22179.6-55.5-23000114.5F151 F189 K190 R191D149-F151 PolarHBondContact O-N 2.93Å; D149-F151 VanDerWaalsContact O-N 3.08Å; D149-F189 HydrophobicContact CB-CD1 4.04Å; D149-F189 HydrophobicContact CB-CE1 3.94Å; D149-K190 VanDerWaalsContact OD2-CA 3.3Å; D149-K190 WeakPolarHBondContact OD2-CA 3.35Å; D149-R191 HydrophobicContact CB-CB 3.89Å; D149-R191 PolarHBondContact OD2-N 2.94Å
150C92.6Very high92.4Very high8 Ų861.8 Ų61.85%0.05434%0.344CS..THydrogen-bonded Turntrans-56.8-20.2174.5-47.90000113.7N148 L169 D170 F189N148-C150 PolarHBondContact O-N 3.15Å; C150-L169 HydrophobicContact CB-CD1 4.37Å; C150-L169 CarbonylContact O-C 3.54Å; C150-L169 WeakPolarHBondContact O-CA 3.36Å; C150-D170 PolarHBondContact O-N 3.22Å; C150-F189 VanDerWaalsContact SG-CD1 3.59Å
151F95.3Very high91.5Very high10 Ų1066.9 Ų66.94%0.04438%0.377CS..EExtended strand (participates in β ladder)trans-112.4104.6-176.3-57.5-52.8000111.7I99 I102 I106 L145 N148 D149 W167 T168 L169I99-F151 HydrophobicContact CB-CE2 4.39Å; I99-F151 HydrophobicContact CB-CZ 4.4Å; I99-F151 HydrophobicContact CG1-CE2 4.46Å; I99-F151 HydrophobicContact CG2-CE2 3.98Å; I99-F151 HydrophobicContact CG2-CZ 3.77Å; I102-F151 HydrophobicContact CB-CE1 4.03Å; I102-F151 HydrophobicContact CB-CE2 4.19Å; I102-F151 HydrophobicContact CB-CZ 3.67Å; I102-F151 HydrophobicContact CD1-CE2 3.97Å; I102-F151 HydrophobicContact CD1-CZ 4.33Å; I102-F151 HydrophobicContact CG2-CD1 3.81Å; I102-F151 HydrophobicContact CG2-CD2 4.42Å; I102-F151 HydrophobicContact CG2-CE1 3.39Å; I102-F151 HydrophobicContact CG2-CE2 4.04Å; I102-F151 HydrophobicContact CG2-CG 4.32Å; I102-F151 HydrophobicContact CG2-CZ 3.51Å; I106-F151 HydrophobicContact CD1-CD1 4.04Å; I106-F151 HydrophobicContact CD1-CE1 4.27Å; L145-F151 HydrophobicContact CD2-CB 4.08Å; L145-F151 HydrophobicContact CD2-CD2 4.21Å; L145-F151 HydrophobicContact CD2-CG 4.02Å; N148-F151 HydrophobicContact CB-CD2 4.33Å; N148-F151 PolarHBondContact O-N 3.27Å; D149-F151 PolarHBondContact O-N 2.93Å; D149-F151 VanDerWaalsContact O-N 3.08Å; F151-W167 HydrophobicContact CB-CE3 4.1Å; F151-W167 HydrophobicContact CB-CZ3 4.45Å; F151-T168 CarbonylContact C-O 3.59Å; F151-T168 WeakPolarHBondContact CA-O 3.43Å; F151-L169 HydrophobicContact CD1-CD1 4.3Å; F151-L169 HydrophobicContact CE1-CD1 3.95Å
152V95.6Very high91Very high40 Ų4068.7 Ų68.724%0.24240%0.396CS..EExtended strand (participates in β ladder)trans-89.4129.1-179.7-174.40000109.9I154 W167 T168 D170V152-I154 HydrophobicContact CG1-CD1 3.84Å; V152-W167 WeakPolarHBondContact O-CA 3.47Å; V152-T168 PolarHBondContact N-O 2.74Å; V152-T168 PolarHBondContact O-N 3.06Å; V152-T168 PolarHBondContact O-OG1 3.11Å; V152-D170 HydrophobicContact CG2-CB 3.78Å; V152-D170 WeakPolarHBondContact CG2-OD1 3.15Å
153K96.2Very high90.5Very high126 Ų12673.4 Ų73.455%0.54842%0.419SS..EExtended strand (participates in β ladder)trans-82.6112.5175.3179.8-169.6170.6-166.90109.9N165 W167K153-N165 VanDerWaalsContact CE-CG 3.49Å; K153-N165 WeakPolarHBondContact CE-ND2 3.47Å; K153-N165 HydrophobicContact CG-CB 3.95Å; K153-W167 HydrophobicContact CB-CE3 4.05Å; K153-W167 HydrophobicContact CB-CH2 3.94Å; K153-W167 HydrophobicContact CB-CZ2 4.42Å; K153-W167 HydrophobicContact CB-CZ3 3.73Å; K153-W167 HydrophobicContact CG-CH2 4.37Å; K153-W167 HydrophobicContact CG-CZ2 4.42Å
154I94.7Very high90.3Very high54 Ų5470.9 Ų70.928%0.27742%0.42SS..EExtended strand (participates in β ladder)trans-100.7124.2178.5-55.5-59.4000109.6V152 Y166 T168V152-I154 HydrophobicContact CG1-CD1 3.84Å; I154-Y166 PolarHBondContact N-O 2.69Å; I154-Y166 PolarHBondContact O-N 2.86Å; I154-T168 HydrophobicContact CG1-CG2 3.78Å; I154-T168 WeakPolarHBondContact CG1-OG1 3.39Å
155P93.1Very high90.2Very high94 Ų9472.5 Ų72.561%0.6143%0.428SS*.PPolyproline II helixtrans-63.8154.5175.828.3-34.7000111.3
156R90.1Very high90.2Very high62 Ų6274.4 Ų74.423%0.23444%0.436CS..PPolyproline II helixtrans-74.6145.9171.1-72.4-174.6177.7-95.95.9110.7T115 G162 K163 G164 Y166T115-R156 VanDerWaalsContact CG2-NH2 3.34Å; R156-G162 VanDerWaalsContact CD-O 3.29Å; R156-G162 WeakPolarHBondContact CD-O 3.41Å; R156-G162 PolarHBondContact NE-O 2.88Å; R156-K163 PolarHBondContact NH2-O 2.95Å; R156-G164 WeakPolarHBondContact CD-O 3.47Å; R156-G164 PolarHBondContact NE-O 2.67Å; R156-Y166 HydrophobicContact CG-CD2 4.19Å; R156-Y166 HydrophobicContact CG-CE2 4.09Å; R156-Y166 PolarHBondContact NH1-OH 3.16Å
157E88.3Confident90.3Very high96 Ų9672 Ų7245%0.44941%0.413SS..PPolyproline II helixtrans-60.2135.2166.8-64.3145.2-137.400109.6R113 G159 N160R113-E157 IonicContact CZ-OE1 2.74Å; R113-E157 IonicContact NH1-OE1 3.81Å; R113-E157 IonicContact NH2-OE1 2.97Å; R113-E157 PolarHBondContact NH2-OE1 3.15Å; E157-G159 PolarHBondContact O-N 3.45Å; E157-G159 VanDerWaalsContact O-N 3.08Å; E157-N160 PolarHBondContact O-N 3.08Å; E157-N160 PolarHBondContact OE2-ND2 2.87Å
158P81.4Confident90.4Very high142 Ų14269.4 Ų69.492%0.92240%0.401SS*.THydrogen-bonded Turntrans-65.6-17.3-169.224.3-34.4000114.7N160P158-N160 VanDerWaalsContact C-N 3.32Å
159G82.3Confident90.5Very high67 Ų6769.7 Ų69.769%0.69140%0.402SS*.THydrogen-bonded Turntrans-80.1-4.1172.800000115.2E157 P161E157-G159 PolarHBondContact O-N 3.45Å; E157-G159 VanDerWaalsContact O-N 3.08Å; G159-P161 WeakPolarHBondContact O-CD 3.46Å
160N80.9Confident90.6Very high87 Ų8766.6 Ų66.647%0.46539%0.385SS..  trans-11580.3-175-79.5-74.8000111.6E157 P158 G162E157-N160 PolarHBondContact O-N 3.08Å; E157-N160 PolarHBondContact OE2-ND2 2.87Å; P158-N160 VanDerWaalsContact C-N 3.32Å; N160-G162 PolarHBondContact O-N 3.08Å
161P75.5Confident90.5Very high134 Ų13470.7 Ų70.787%0.8741%0.412SS*.  trans-6892.6-179.528.7-35.3000111.3G159G159-P161 WeakPolarHBondContact O-CD 3.46Å
162G85.5Confident90.1Very high38 Ų3875.3 Ų75.339%0.39244%0.437SS..  trans-139.5153.7-176.300000113R156 N160R156-G162 VanDerWaalsContact CD-O 3.29Å; R156-G162 WeakPolarHBondContact CD-O 3.41Å; R156-G162 PolarHBondContact NE-O 2.88Å; N160-G162 PolarHBondContact O-N 3.08Å
163K87.1Confident89.6Confident196 Ų19673.4 Ų73.485%0.85243%0.425SS*.SBendtrans-66.5133.2-176.1-171.9174.6-178.9177.10112R156R156-K163 PolarHBondContact NH2-O 2.95Å
164G91.3Very high89Confident48 Ų4868.7 Ų68.750%0.49541%0.41SS..SBendtrans69.2-173.5173.700000114.8R156R156-G164 WeakPolarHBondContact CD-O 3.47Å; R156-G164 PolarHBondContact NE-O 2.67Å
165N94.6Very high88.5Confident57 Ų5772.3 Ų72.331%0.30543%0.43SS..  trans-106164.5178.7-66.7-94.1000110.3K153K153-N165 VanDerWaalsContact CE-CG 3.49Å; K153-N165 WeakPolarHBondContact CE-ND2 3.47Å; K153-N165 HydrophobicContact CG-CB 3.95Å
166Y95.9Very high87.8Confident43 Ų4369.9 Ų69.917%0.16941%0.411CS..EExtended strand (participates in β ladder)trans-81.1152167.4-72.2-68.5000110.2R113 T115 I154 R156R113-Y166 HydrophobicContact CG-CD1 4.02Å; R113-Y166 HydrophobicContact CG-CG 4.27Å; T115-Y166 HydrophobicContact CG2-CD1 3.85Å; T115-Y166 HydrophobicContact CG2-CE1 3.75Å; I154-Y166 PolarHBondContact N-O 2.69Å; I154-Y166 PolarHBondContact O-N 2.86Å; R156-Y166 HydrophobicContact CG-CD2 4.19Å; R156-Y166 HydrophobicContact CG-CE2 4.09Å; R156-Y166 PolarHBondContact NH1-OH 3.16Å
167W97.3Very high87.2Confident41 Ų4167.5 Ų67.516%0.15540%0.402CS..EExtended strand (participates in β ladder)trans-122.7133172-6694.4000108.9I106 R113 L114 I119 L145 F151 V152 K153I106-W167 HydrophobicContact CD1-CB 4.47Å; R113-W167 WeakPolarHBondContact CA-O 3.33Å; L114-W167 PolarHBondContact N-O 3.19Å; L114-W167 PolarHBondContact O-N 2.93Å; I119-W167 HydrophobicContact CD1-CB 4.24Å; L145-W167 HydrophobicContact CB-CD2 4.16Å; L145-W167 HydrophobicContact CB-CE3 4.15Å; L145-W167 HydrophobicContact CB-CH2 3.93Å; L145-W167 HydrophobicContact CB-CZ2 3.95Å; L145-W167 HydrophobicContact CB-CZ3 4.03Å; L145-W167 HydrophobicContact CD1-CD2 4.35Å; L145-W167 HydrophobicContact CD1-CG 4.36Å; L145-W167 HydrophobicContact CD2-CB 4.15Å; L145-W167 HydrophobicContact CD2-CD2 3.89Å; L145-W167 HydrophobicContact CD2-CE3 4.09Å; L145-W167 HydrophobicContact CD2-CG 3.92Å; L145-W167 HydrophobicContact CG-CD2 4.37Å; L145-W167 WeakPolarHBondContact O-CZ3 3.34Å; F151-W167 HydrophobicContact CB-CE3 4.1Å; F151-W167 HydrophobicContact CB-CZ3 4.45Å; V152-W167 WeakPolarHBondContact O-CA 3.47Å; K153-W167 HydrophobicContact CB-CE3 4.05Å; K153-W167 HydrophobicContact CB-CH2 3.94Å; K153-W167 HydrophobicContact CB-CZ2 4.42Å; K153-W167 HydrophobicContact CB-CZ3 3.73Å; K153-W167 HydrophobicContact CG-CH2 4.37Å; K153-W167 HydrophobicContact CG-CZ2 4.42Å
168T96.2Very high86.4Confident28 Ų2868.8 Ų68.817%0.17241%0.412CS..EExtended strand (participates in β ladder)trans-122.8158.7177.748.60000110.1R113 F151 V152 I154R113-T168 HydrophobicContact CB-CG2 3.49Å; R113-T168 VanDerWaalsContact CB-CG2 3.49Å; F151-T168 CarbonylContact C-O 3.59Å; F151-T168 WeakPolarHBondContact CA-O 3.43Å; V152-T168 PolarHBondContact N-O 2.74Å; V152-T168 PolarHBondContact O-N 3.06Å; V152-T168 PolarHBondContact O-OG1 3.11Å; I154-T168 HydrophobicContact CG1-CG2 3.78Å; I154-T168 WeakPolarHBondContact CG1-OG1 3.39Å
169L95.1Very high85.9Confident22 Ų2269 Ų6912%0.11541%0.405CS..EExtended strand (participates in β ladder)trans-78.2135.8167.6-165.167000108.6T103 I106 L107 C150 F151 A174 F177T103-L169 HydrophobicContact CG2-CD1 4.09Å; T103-L169 HydrophobicContact CG2-CD2 3.94Å; I106-L169 HydrophobicContact CG2-CB 4.28Å; L107-L169 HydrophobicContact CD2-CD2 4.01Å; L107-L169 HydrophobicContact CG-CD2 4.38Å; C150-L169 HydrophobicContact CB-CD1 4.37Å; C150-L169 CarbonylContact O-C 3.54Å; C150-L169 WeakPolarHBondContact O-CA 3.36Å; F151-L169 HydrophobicContact CD1-CD1 4.3Å; F151-L169 HydrophobicContact CE1-CD1 3.95Å; L169-A174 HydrophobicContact CD2-CB 4.07Å; L169-F177 HydrophobicContact CD1-CE2 4.44Å
170D93.4Very high85.2Confident5 Ų568 Ų683%0.02740%0.396CS..  trans-67.6132174.6-154.318.1000109C150 V152 D172 S173 A174 R191C150-D170 PolarHBondContact O-N 3.22Å; V152-D170 HydrophobicContact CG2-CB 3.78Å; V152-D170 WeakPolarHBondContact CG2-OD1 3.15Å; D170-D172 VanDerWaalsContact C-N 3.33Å; D170-D172 PolarHBondContact O-N 2.88Å; D170-S173 PolarHBondContact N-OG 2.85Å; D170-S173 CarbonylContact O-C 3.57Å; D170-S173 WeakPolarHBondContact O-CA 3.24Å; D170-S173 WeakPolarHBondContact O-CB 3.3Å; D170-S173 PolarHBondContact O-N 3.46Å; D170-S173 PolarHBondContact O-OG 3.34Å; D170-A174 PolarHBondContact O-N 3.03Å; D170-R191 IonicContact OD1-CZ 3.47Å; D170-R191 IonicContact OD1-NH1 3.54Å; D170-R191 PolarHBondContact OD1-NH1 3Å; D170-R191 IonicContact OD1-NH2 2.9Å; D170-R191 WeakPolarHBondContact OD2-CD 3.32Å; D170-R191 IonicContact OD2-CZ 3.66Å; D170-R191 IonicContact OD2-NE 3.7Å; D170-R191 IonicContact OD2-NH1 3.25Å; D170-R191 PolarHBondContact OD2-NH1 3.39Å
171P90.4Very high84.9Confident94 Ų9466.5 Ų66.561%0.6139%0.392SS*.G310 helixtrans-55.4-44.4-175.5-28.836.7000113.5S173 A174P171-S173 PolarHBondContact O-N 2.86Å; P171-A174 WeakPolarHBondContact O-CB 3.45Å; P171-A174 PolarHBondContact O-N 3.19Å
172D87.2Confident85Confident108 Ų10862.4 Ų62.458%0.57836%0.361SS*.G310 helixtrans-56.4-15.6174-57.4-3.5000113.7D170 F189D170-D172 VanDerWaalsContact C-N 3.33Å; D170-D172 PolarHBondContact O-N 2.88Å; D172-F189 HydrophobicContact CB-CE2 4.22Å; D172-F189 HydrophobicContact CB-CZ 3.93Å
173S85.1Confident84.4Confident0 Ų066.4 Ų66.40%037%0.372CS..G310 helixtrans-107.8-4.4179.481.60000114.4D170 P171 M176 F177D170-S173 PolarHBondContact N-OG 2.85Å; D170-S173 CarbonylContact O-C 3.57Å; D170-S173 WeakPolarHBondContact O-CA 3.24Å; D170-S173 WeakPolarHBondContact O-CB 3.3Å; D170-S173 PolarHBondContact O-N 3.46Å; D170-S173 PolarHBondContact O-OG 3.34Å; P171-S173 PolarHBondContact O-N 2.86Å; S173-M176 WeakPolarHBondContact O-CB 3.17Å; S173-F177 VanDerWaalsContact O-CD2 3.27Å; S173-F177 WeakPolarHBondContact O-CD2 3.39Å
174A84.5Confident83.4Confident27 Ų2765.4 Ų65.422%0.22336%0.363CS..THydrogen-bonded Turntrans-70.3-51.1-17500000113.1L169 D170 P171 M176 F177 D178L169-A174 HydrophobicContact CD2-CB 4.07Å; D170-A174 PolarHBondContact O-N 3.03Å; P171-A174 WeakPolarHBondContact O-CB 3.45Å; P171-A174 PolarHBondContact O-N 3.19Å; A174-M176 PolarHBondContact O-N 3.47Å; A174-F177 PolarHBondContact O-N 3.02Å; A174-D178 PolarHBondContact O-N 3.12Å
175D83.6Confident82.5Confident129 Ų12967.9 Ų67.969%0.6936%0.358SS*.Hα-helixtrans-55.1-27.5-178.5-60.86.2000113.2F177D175-F177 PolarHBondContact O-N 3.12Å; D175-F177 VanDerWaalsContact O-N 3.17Å
176M78.9Confident81.2Confident44 Ų4477.6 Ų77.622%0.21739%0.39CS..Hα-helixtrans-63.1-15.3175.6-72.4-160.3-71.800114.4S173 A174 R185 F189S173-M176 WeakPolarHBondContact O-CB 3.17Å; A174-M176 PolarHBondContact O-N 3.47Å; M176-R185 PolarHBondContact O-NH2 3.04Å; M176-R185 PolarHBondContact SD-NH1 3.03Å; M176-R185 VanDerWaalsContact SD-NH1 3.36Å; M176-F189 HydrophobicContact CE-CB 3.59Å; M176-F189 HydrophobicContact CE-CD1 4.44Å; M176-F189 HydrophobicContact CE-CD2 3.51Å; M176-F189 HydrophobicContact CE-CE2 4.26Å; M176-F189 HydrophobicContact CE-CG 3.61Å; M176-F189 HydrophobicContact SD-CB 4.18Å; M176-F189 HydrophobicContact SD-CD2 4.17Å
177F75.8Confident80.2Confident12 Ų1283.9 Ų83.95%0.05342%0.418CS..Hα-helixtrans-125.5-21.4-176.2-59.6-78.5000113.6I99 T103 L107 L169 S173 A174 D175 N179 G180 F182I99-F177 HydrophobicContact CG2-CE1 4.47Å; I99-F177 HydrophobicContact CG2-CZ 3.93Å; T103-F177 HydrophobicContact CG2-CB 3.8Å; T103-F177 HydrophobicContact CG2-CD1 4.16Å; T103-F177 HydrophobicContact CG2-CD2 3.8Å; T103-F177 HydrophobicContact CG2-CE2 4.39Å; T103-F177 HydrophobicContact CG2-CG 3.66Å; L107-F177 HydrophobicContact CD1-CB 4.35Å; L169-F177 HydrophobicContact CD1-CE2 4.44Å; S173-F177 VanDerWaalsContact O-CD2 3.27Å; S173-F177 WeakPolarHBondContact O-CD2 3.39Å; A174-F177 PolarHBondContact O-N 3.02Å; D175-F177 PolarHBondContact O-N 3.12Å; D175-F177 VanDerWaalsContact O-N 3.17Å; F177-N179 VanDerWaalsContact C-N 3.28Å; F177-N179 PolarHBondContact O-N 2.95Å; F177-G180 PolarHBondContact O-N 3.13Å; F177-G180 VanDerWaalsContact O-N 3.08Å; F177-F182 HydrophobicContact CB-CE1 4.24Å; F177-F182 HydrophobicContact CD1-CD1 4.39Å
178D72.8Confident79.2Confident122 Ų12290 Ų9065%0.65244%0.441SS*.Hα-helixtrans-62.7-35.5-175.1-14046.8000112.3A174 G180A174-D178 PolarHBondContact O-N 3.12Å; D178-G180 PolarHBondContact O-N 3.44Å
179N70.4Confident78.3Confident146 Ų14691.2 Ų91.278%0.78144%0.444SS*.THydrogen-bonded Turntrans-73.526.1172.5-65.9-71.9000114.3F177 S181F177-N179 VanDerWaalsContact C-N 3.28Å; F177-N179 PolarHBondContact O-N 2.95Å; N179-S181 PolarHBondContact O-N 2.73Å; N179-S181 VanDerWaalsContact O-N 3.15Å
180G67.8Low77.4Confident48 Ų4898.4 Ų98.450%0.49548%0.475SS..SBendtrans69.87.5176.400000116.2F177 D178 F182F177-G180 PolarHBondContact O-N 3.13Å; F177-G180 VanDerWaalsContact O-N 3.08Å; D178-G180 PolarHBondContact O-N 3.44Å; G180-F182 VanDerWaalsContact C-N 3.28Å; G180-F182 VanDerWaalsContact O-CD2 3.27Å; G180-F182 WeakPolarHBondContact O-CD2 3.28Å; G180-F182 PolarHBondContact O-N 3.21Å
181S75.1Confident76.5Confident55 Ų55103.5 Ų103.539%0.38549%0.494SS..  trans-79.167.8-174-159.40000112.6N179 L183N179-S181 PolarHBondContact O-N 2.73Å; N179-S181 VanDerWaalsContact O-N 3.15Å; S181-L183 VanDerWaalsContact C-N 3.33Å
182F77.1Confident75.6Confident48 Ų48107.4 Ų107.421%0.21150%0.503CS..  trans-85.21.2179.8-61.8-67.5000114.5Y96 A100 M104 F177 G180Y96-F182 HydrophobicContact CD1-CB 3.88Å; Y96-F182 HydrophobicContact CE1-CB 3.82Å; A100-F182 HydrophobicContact CB-CB 4.17Å; A100-F182 HydrophobicContact CB-CD1 4.43Å; A100-F182 WeakPolarHBondContact CB-O 3.41Å; M104-F182 HydrophobicContact CG-CD1 3.8Å; M104-F182 HydrophobicContact CG-CE1 3.64Å; M104-F182 HydrophobicContact CG-CG 4.34Å; M104-F182 HydrophobicContact CG-CZ 4.04Å; F177-F182 HydrophobicContact CB-CE1 4.24Å; F177-F182 HydrophobicContact CD1-CD1 4.39Å; G180-F182 VanDerWaalsContact C-N 3.28Å; G180-F182 VanDerWaalsContact O-CD2 3.27Å; G180-F182 WeakPolarHBondContact O-CD2 3.28Å; G180-F182 PolarHBondContact O-N 3.21Å
183L73.3Confident74.4Confident122 Ų122109.5 Ų109.564%0.63951%0.509SS*.SBendtrans-76.8161.7178.4-64.8176.7000112.5S181 R185S181-L183 VanDerWaalsContact C-N 3.33Å; L183-R185 PolarHBondContact O-N 2.82Å; L183-R185 VanDerWaalsContact O-N 3.09Å
184R66.2Low72.7Confident175 Ų175113.3 Ų113.366%0.6654%0.536SS*.  trans-65.1106.6179.1-177.2-175.5-179.71754.7111.2D44D44-R184 IonicContact OD1-CZ 2.75Å; D44-R184 VanDerWaalsContact OD1-CZ 3.25Å; D44-R184 IonicContact OD1-NH1 3.58Å; D44-R184 PolarHBondContact OD1-NH1 2.58Å; D44-R184 IonicContact OD1-NH2 2.81Å; D44-R184 PolarHBondContact OD1-NH2 3.11Å; D44-R184 IonicContact OD2-CZ 3.9Å; D44-R184 IonicContact OD2-NH1 2.67Å; D44-R184 IonicContact OD2-NH2 3.67Å; D44-R184 PolarHBondContact OD2-NH2 2.84Å
185R72.7Confident71Confident100 Ų100117.5 Ų117.538%0.37756%0.555SS.*  trans-75.9134.9172.6-168.9173.9-66.9117.28.8111M176 L183 K187M176-R185 PolarHBondContact O-NH2 3.04Å; M176-R185 PolarHBondContact SD-NH1 3.03Å; M176-R185 VanDerWaalsContact SD-NH1 3.36Å; L183-R185 PolarHBondContact O-N 2.82Å; L183-R185 VanDerWaalsContact O-N 3.09Å; R185-K187 WeakPolarHBondContact CG-O 3.5Å
186R66.6Low69.5Low260 Ų260117.5 Ų117.598%0.98155%0.551SS**SBendtrans-68.5-35.3178.9-67.2-176.9-179.6135-1113.6
187K75.4Confident68.4Low176 Ų176123.2 Ų123.277%0.76558%0.58SS**SBendtrans-94.8123.9176.5-173.9173.5179.9-179.20110.1R185R185-K187 WeakPolarHBondContact CG-O 3.5Å
188R75Confident67.3Low170 Ų170129 Ų12964%0.64261%0.611SS**PPolyproline II helixtrans-71.8144.9171.7-67.4-176.7-178.8-104.84.7110.5N148N148-R188 PolarHBondContact OD1-NH1 3.07Å
189F77.1Confident66.2Low52 Ų52133 Ų13323%0.22862%0.617CS.*PPolyproline II helixtrans-67.9147.7162.1177.4-101.3000109.4D149 C150 D172 M176 R191D149-F189 HydrophobicContact CB-CD1 4.04Å; D149-F189 HydrophobicContact CB-CE1 3.94Å; C150-F189 VanDerWaalsContact SG-CD1 3.59Å; D172-F189 HydrophobicContact CB-CE2 4.22Å; D172-F189 HydrophobicContact CB-CZ 3.93Å; M176-F189 HydrophobicContact CE-CB 3.59Å; M176-F189 HydrophobicContact CE-CD1 4.44Å; M176-F189 HydrophobicContact CE-CD2 3.51Å; M176-F189 HydrophobicContact CE-CE2 4.26Å; M176-F189 HydrophobicContact CE-CG 3.61Å; M176-F189 HydrophobicContact SD-CB 4.18Å; M176-F189 HydrophobicContact SD-CD2 4.17Å; F189-R191 HydrophobicContact CE1-CB 4.18Å; F189-R191 HydrophobicContact CZ-CB 4.45Å
190K76.5Confident65Low173 Ų173133.6 Ų133.675%0.75262%0.62SS**  trans-140129.8165.8-73.6-167.5173.5-168.10106.4D149 H192D149-K190 VanDerWaalsContact OD2-CA 3.3Å; D149-K190 WeakPolarHBondContact OD2-CA 3.35Å; K190-H192 PolarHBondContact O-N 3.36Å
191R74.6Confident64.4Low113 Ų113136.3 Ų136.343%0.42663%0.632SS.*  trans-68.9131.7174.7-173.7176.5-174.8142.43.8109D149 D170 F189 Q193D149-R191 HydrophobicContact CB-CB 3.89Å; D149-R191 PolarHBondContact OD2-N 2.94Å; D170-R191 IonicContact OD1-CZ 3.47Å; D170-R191 IonicContact OD1-NH1 3.54Å; D170-R191 PolarHBondContact OD1-NH1 3Å; D170-R191 IonicContact OD1-NH2 2.9Å; D170-R191 WeakPolarHBondContact OD2-CD 3.32Å; D170-R191 IonicContact OD2-CZ 3.66Å; D170-R191 IonicContact OD2-NE 3.7Å; D170-R191 IonicContact OD2-NH1 3.25Å; D170-R191 PolarHBondContact OD2-NH1 3.39Å; F189-R191 HydrophobicContact CE1-CB 4.18Å; F189-R191 HydrophobicContact CZ-CB 4.45Å; R191-Q193 PolarHBondContact O-N 3.47Å
192H71.5Confident63.2Low175 Ų175137 Ų13781%0.8165%0.647SS**  trans-77.896.5175.4-145.175.8000108.4K190 S194K190-H192 PolarHBondContact O-N 3.36Å; H192-S194 VanDerWaalsContact C-N 3.26Å; H192-S194 PolarHBondContact O-N 2.85Å
193Q61.7Low62Low152 Ų152138.3 Ų138.371%0.7168%0.675SS**  trans-71.285.4172.8-68.9-170.725.600109.5R191 N195R191-Q193 PolarHBondContact O-N 3.47Å; Q193-N195 PolarHBondContact O-N 2.85Å; Q193-N195 VanDerWaalsContact O-N 3.12Å; Q193-N195 PolarHBondContact O-ND2 3.34Å
194S50.6Low60.9Low80 Ų80141.4 Ų141.456%0.55968%0.683SS**  trans-60.9112.9166.749.70000108.6H192 E196H192-S194 VanDerWaalsContact C-N 3.26Å; H192-S194 PolarHBondContact O-N 2.85Å; S194-E196 PolarHBondContact O-N 2.8Å
195N47.4Very low60Low115 Ų115140.8 Ų140.862%0.61569%0.692SS**  trans-78.944.1-178.5-86.8-111.6000111.2Q193 I197 L198Q193-N195 PolarHBondContact O-N 2.85Å; Q193-N195 VanDerWaalsContact O-N 3.12Å; Q193-N195 PolarHBondContact O-ND2 3.34Å; N195-I197 VanDerWaalsContact C-N 3.27Å; N195-I197 PolarHBondContact O-N 3.01Å; N195-L198 PolarHBondContact O-N 2.91Å; N195-L198 VanDerWaalsContact O-N 3.15Å
196E53.5Low58.7Low130 Ų130141.2 Ų141.261%0.60771%0.708SS**G310 helixtrans-66.4-32.3-174.3-54.8-126.7110.400111.5S194 L198 R199S194-E196 PolarHBondContact O-N 2.8Å; E196-L198 PolarHBondContact O-N 3.02Å; E196-L198 VanDerWaalsContact O-N 3.11Å; E196-R199 PolarHBondContact O-N 3.23Å
197I54.6Low58Low163 Ų163132.4 Ų132.484%0.83670%0.698SS**G310 helixtrans-58.3-25.4175.8-58.2176.3000112.1N195N195-I197 VanDerWaalsContact C-N 3.27Å; N195-I197 PolarHBondContact O-N 3.01Å
198L52.8Low56.2Low134 Ų134133.9 Ų133.970%0.70271%0.705SS**G310 helixtrans-90.1-14.1175.4-170.856.6000113N195 E196N195-L198 PolarHBondContact O-N 2.91Å; N195-L198 VanDerWaalsContact O-N 3.15Å; E196-L198 PolarHBondContact O-N 3.02Å; E196-L198 VanDerWaalsContact O-N 3.11Å
199R50.1Low55Low206 Ų206129.5 Ų129.578%0.77771%0.712SS**THydrogen-bonded Turntrans-87.9-32.3-172.4-157.6178.1-180-144.9-7114E196 S201E196-R199 PolarHBondContact O-N 3.23Å; R199-S201 VanDerWaalsContact C-N 3.3Å; R199-S201 PolarHBondContact O-N 2.98Å
200D46.3Very low53.5Low159 Ų159138.1 Ų138.185%0.8575%0.745SS**THydrogen-bonded Turntrans-76.7-11.5179.6-87.7-7000114.4
201S53.7Low51.7Low105 Ų105132.9 Ų132.973%0.73474%0.74SS**THydrogen-bonded Turntrans-91-0.1-176.4-61.60000115R199R199-S201 VanDerWaalsContact C-N 3.3Å; R199-S201 PolarHBondContact O-N 2.98Å
202G50.1Low50.4Low69 Ų69133.6 Ų133.671%0.71176%0.759SS**  trans-98.44.7-17200000116.6F204G202-F204 PolarHBondContact O-N 2.79Å
203G52.2Low49.1Very low76 Ų76135.8 Ų135.878%0.78476%0.762SS**  trans-81.34.2-155.200000119.9
204F49.9Very low48Very low186 Ų186131.3 Ų131.382%0.81676%0.756SS**  trans-157.191.7-179.3-164.1-96.5000115.8G202G202-F204 PolarHBondContact O-N 2.79Å
205L47Very low47.3Very low163 Ų163137.2 Ų137.285%0.85377%0.768SS**  trans-149.3132.9149.2-80.5-174.1000110.3
206P46.7Very low47.1Very low109 Ų109138.9 Ų138.971%0.70878%0.777SS**  trans-72.6148.5168.531.8-33.7000110.6
207G50.3Low46.6Very low74 Ų74143.1 Ų143.176%0.76379%0.789SS**  trans-76.2140.4-163.100000116.1
208F39.1Very low46Very low208 Ų208139.1 Ų139.191%0.91279%0.787SS**  trans-120.9121.8145.8-84.6-85.9000108.2
209G49.2Very low45.5Very low77 Ų77140.5 Ų140.579%0.79479%0.794SS**  trans-88118.1-177.200000112.3
210Y44.8Very low45.4Very low233 Ų233138.6 Ų138.691%0.91479%0.794SS**  trans-130.3125.9157.4-95.1-90000108.7
211G39.4Very low45.2Very low63 Ų63138 Ų13865%0.64979%0.79SS**  trans-80.7149.8-172.300000113.4
212P48.1Very low44.6Very low128 Ų128139.8 Ų139.883%0.83179%0.787SS**  trans-76.3133.3175.531.1-33.6000111.6G214P212-G214 PolarHBondContact O-N 3.32Å
213Y43.6Very low43.7Very low222 Ų222143 Ų14387%0.87179%0.788SS**  trans-71.490.1167.1-87-91.1000110.2Y215Y213-Y215 PolarHBondContact O-N 3.18Å; Y213-Y215 VanDerWaalsContact O-N 3.17Å
214G39Very low43.1Very low58 Ų58148.7 Ų148.760%0.59879%0.792SS**  trans-80.189.1-177.800000114P212 N216P212-G214 PolarHBondContact O-N 3.32Å; G214-N216 VanDerWaalsContact C-N 3.34Å; G214-N216 PolarHBondContact O-N 3.31Å
215Y35.8Very low42.8Very low204 Ų204148 Ų14880%0.879%0.79SS**  trans-74.484.9164.2-88.8-86000111Y213Y213-Y215 PolarHBondContact O-N 3.18Å; Y213-Y215 VanDerWaalsContact O-N 3.17Å
216N42.2Very low42.3Very low149 Ų149144.9 Ų144.980%0.79779%0.789SS**PPolyproline II helixtrans-90.2119.7167.6-76.4-90000109.8G214G214-N216 VanDerWaalsContact C-N 3.34Å; G214-N216 PolarHBondContact O-N 3.31Å
217Y43.5Very low42.1Very low220 Ų220144.4 Ų144.486%0.86379%0.794SS**PPolyproline II helixtrans-70.3130.1165.3-76-88.9000109.2L219Y217-L219 PolarHBondContact O-N 3.26Å
218G42Very low41.7Very low78 Ų78150 Ų15080%0.80480%0.8SS**PPolyproline II helixtrans-73.8124.5-167.700000114.2
219L42.6Very low41.8Very low163 Ų163147 Ų14785%0.85379%0.793SS**  trans-117.4107.6154.5-81.8174.1000108.8Y217 L221Y217-L219 PolarHBondContact O-N 3.26Å; L219-L221 PolarHBondContact O-N 2.99Å
220Q47.3Very low41.8Very low166 Ų166148.6 Ų148.678%0.77679%0.789SS**  trans-84.397.2-178.8-178.8177.8-10.900110.3
221L42.8Very low41.4Very low147 Ų147146.2 Ų146.277%0.7778%0.784SS**  trans-104.3119.9162.4-87.771.8000109L219 N223L219-L221 PolarHBondContact O-N 2.99Å; L221-N223 PolarHBondContact O-N 3.29Å
222Q40.1Very low41.4Very low142 Ų142151.8 Ų151.866%0.66479%0.793SS**  trans-6599.4168.3-78.290.4-30.100110.3F224Q222-F224 PolarHBondContact O-N 2.84Å
223N32.1Very low41.7Very low137 Ų137150 Ų15073%0.73378%0.781SS**  trans-8397173.5-15447.9000109.4L221 H225L221-N223 PolarHBondContact O-N 3.29Å; N223-H225 PolarHBondContact O-CD2 3.3Å; N223-H225 PolarHBondContact O-N 3.16Å
224F40.4Very low41.3Very low195 Ų195146.9 Ų146.986%0.85577%0.774SS**  trans-63.7115.5175.7-91.6-96.5000110.2Q222 A226Q222-F224 PolarHBondContact O-N 2.84Å; F224-A226 PolarHBondContact O-N 3.31Å
225H42.6Very low41.4Very low171 Ų171152.4 Ų152.479%0.79278%0.784SS**PPolyproline II helixtrans-70.6128.5175.1-81-150.8000110.6N223 A227N223-H225 PolarHBondContact O-CD2 3.3Å; N223-H225 PolarHBondContact O-N 3.16Å; H225-A227 PolarHBondContact O-N 3.18Å
226A37.8Very low41.5Very low99 Ų99149.2 Ų149.282%0.81879%0.786SS**PPolyproline II helixtrans-68.8125.6176.300000110.8F224F224-A226 PolarHBondContact O-N 3.31Å
227A41.3Very low41.2Very low98 Ų98146.3 Ų146.381%0.8179%0.791SS**PPolyproline II helixtrans-83.4149.6173.300000111.4H225H225-A227 PolarHBondContact O-N 3.18Å
228H41.9Very low40.8Very low192 Ų192139.8 Ų139.889%0.88979%0.791SS**PPolyproline II helixtrans-71.9148.6179.9-76.6-115.1000112.5
229N41.1Very low40.6Very low146 Ų146141.3 Ų141.378%0.78179%0.789SS**PPolyproline II helixtrans-98.6140.7173.6-165.217.6000110.1
230P49Very low40.5Very low109 Ų109142.6 Ų142.671%0.70879%0.788SS**  -146.4131.3126.834-17.1000116.5
231F37Very low41.2Very low183 Ų183138.9 Ų138.980%0.80378%0.779SS**  trans28.1108.7142.7-78-91.3000121.7
232H40.1Very low41.1Very low180 Ų180141 Ų14183%0.83378%0.782SS**  -178.3170.6106.3-108-99.3000109.9
233P53Low41.9Very low91 Ų91138.7 Ų138.759%0.59178%0.78SS**  trans-130.2-167.9-150.137-17.5000116.7
234H36.6Very low42.1Very low156 Ų156139.8 Ų139.872%0.72279%0.785SS**  trans101.5155.4163.5-59.8-77000119.8
235H39.8Very low42.5Very low174 Ų174134.7 Ų134.781%0.80678%0.78SS**  trans87.5158.3166.9-52.3-63.8000118.5
236T37.8Very low43Very low137 Ų137132.4 Ų132.484%0.8478%0.78SS**  trans-152.5137.5-137.949.70000115.1
237G36Very low43.1Very low88 Ų88133.6 Ų133.691%0.90778%0.781SS**  trans93.3151.7154.400000117.4
238G36.4Very low43Very low84 Ų84135.7 Ų135.787%0.86678%0.784SS**  trans146.2125.5172.400000114.5
239S36.8Very low43.4Very low109 Ų109134.6 Ų134.676%0.76278%0.783SS**  trans-87146.2-173.6-63.60000115.3
240F40Very low44Very low190 Ų190133.5 Ų133.583%0.83378%0.784SS**  23.1163.2125-59.5-65.8000122
241P62.3Low43.7Very low89 Ų89133.6 Ų133.658%0.57879%0.788SS**  cis-147.1179.9-28.437.7-18000117.2
242F42.2Very low44.6Very low191 Ų191130.7 Ų130.784%0.83879%0.787SS**  trans72.3165.8152.6-64-44000120.4
243P56.1Low44.5Very low94 Ų94126.5 Ų126.561%0.6178%0.784SS**  -142.4-178.8-50.342.6-26.9000115.5
244N36.7Very low44Very low159 Ų159127.9 Ų127.985%0.8580%0.795SS**  trans69.9149.9154.7-63.4-15.7000119.3
245A47.7Very low44.4Very low89 Ų89128 Ų12874%0.73680%0.8SS**  cis-152-142.3-18.100000110.8
246P52.6Low44.7Very low123 Ų123128.7 Ų128.780%0.79980%0.801SS**  -119.6177.3-118.837.9-19.4000117.4
247C40.9Very low45.1Very low123 Ų123128 Ų12883%0.83180%0.798SS**  trans-70.3155.7-175.2-32.50000114.7
248T39.3Very low45.3Very low143 Ų143127.7 Ų127.788%0.87779%0.787SS**  trans-135.4141.8158.446.30000111.2
249L51.1Low46.6Very low168 Ų168129 Ų12988%0.8878%0.78SS**  trans-131.9139.6172.3-83.2170.1000108.4
250P51.9Low46.9Very low123 Ų123131.5 Ų131.580%0.79978%0.78SS**  trans-83.3147.717733.4-33.8000112.3
251S44.4Very low46.6Very low112 Ų112130.7 Ų130.778%0.78378%0.778SS**  trans-112141.4167.3174.40000109.5
252P55.2Low45.9Very low121 Ų121134 Ų13479%0.78679%0.791SS**  -142.4168129.538.7-26.9000112.1
253A37.3Very low46.5Very low92 Ų92131.4 Ų131.476%0.7679%0.793SS**  cis-171145.1-28.200000105.4
254S42.3Very low45.7Very low120 Ų120131.9 Ų131.984%0.83980%0.798SS**  trans-92.2137.5-177.643.20000112.7
255I46.3Very low46Very low159 Ų159132.8 Ų132.882%0.81580%0.802SS**  trans-134.7115.4168.8-59.9-179.1000109.2
256F45.8Very low45.7Very low189 Ų189136.7 Ų136.783%0.82981%0.81SS**  trans-96.5155.2156-92.8-85.6000108.5
257P46.2Very low44.8Very low121 Ų121133.6 Ų133.679%0.78680%0.8SS**  -135.9175111.637.1-26.8000113.2
258A40.7Very low44.8Very low82 Ų82133.8 Ų133.868%0.67880%0.797SS**  trans-129.9-154-17500000111.5
259P61.9Low44.6Very low111 Ų111134.3 Ų134.372%0.72180%0.795SS**  -129152.4-109.838-20.3000116
260H43.3Very low44.2Very low162 Ų162132.8 Ų132.875%0.7579%0.787SS**  trans-144.1122.2176.3-76.6-78.8000117.2
261H35.3Very low43.6Very low173 Ų173137.8 Ų137.880%0.80179%0.79SS**  trans94.6154.8132.9-68.2-163.5000122.4
262L46.3Very low43.4Very low160 Ų160141.5 Ų141.584%0.83879%0.792SS**  trans-99.2179.9-171.6-58.5168.7000111.7
263P54.1Low43.1Very low136 Ų136141.6 Ų141.688%0.88379%0.792SS**  -137.7177.694.739.4-28.5000114.8
264S39.4Very low42.9Very low104 Ų104146.9 Ų146.973%0.72780%0.799SS**  trans-138.6151.9177179.20000110.3
265L42.9Very low43.1Very low177 Ų177151.3 Ų151.393%0.92780%0.798SS**  trans-138.5161.9171.2-83.8177.7000111.4
266L41.3Very low43.2Very low172 Ų172149.3 Ų149.390%0.90180%0.796SS**  trans-124.3154.3-151.3-105.7157000114.4
267G34.5Very low43.1Very low57 Ų57147.6 Ų147.659%0.58879%0.791SS**  trans154.1103.7164.700000110.4
268T41.1Very low42.6Very low127 Ų127150 Ų15078%0.77980%0.796SS**  52.9128.371.571.30000112.8
269D35.5Very low43Very low155 Ų155150.7 Ų150.783%0.82980%0.796SS**  cis-151.7-176.627.6-142.1-40.4000114.7
270L41.4Very low42.5Very low136 Ų136151.6 Ų151.671%0.71280%0.801SS**  trans-72.6146.5-171-177.775.4000115.7
271R40.2Very low42.4Very low228 Ų228149.2 Ų149.286%0.8680%0.803SS**  trans-171176.1131.4-99.8-58.814797.12.1113.7
272K40.3Very low42.7Very low190 Ų190149 Ų14983%0.82681%0.807SS**  trans-97.8163.3-167.6-93.3178.2176.3177.50113.3
273P48.1Very low42.9Very low122 Ų122146.5 Ų146.579%0.79280%0.801SS**  trans-76.4156.7-169.631.6-37.8000114.5
274F34.9Very low42.6Very low204 Ų204146.1 Ų146.190%0.89580%0.798SS**  trans-133.1127.4167.2-113-96.1000109.2
275Y46Very low42.3Very low212 Ų212149.3 Ų149.383%0.83181%0.806SS**  trans-81.8150.3161.9-97.6-88.8000109.3
276P47Very low42.1Very low118 Ų118150 Ų15077%0.76680%0.802SS**  -131.3129.8129.132.9-22.4000112.9
277Q44.6Very low41.8Very low153 Ų153148.4 Ų148.472%0.71580%0.799SS**  trans-73.6133.7155.5-105.4-84.2-7.800108.8
278L35.8Very low41.7Very low171 Ų171152.9 Ų152.990%0.89581%0.809SS**  trans-154.3129.8149.6-81.4-168.2000110.7
279S47.9Very low41.5Very low96 Ų96152.8 Ų152.867%0.67181%0.814SS**  trans-89157.1174.3-35.90000112
280P51.7Low41.3Very low130 Ų130149.4 Ų149.484%0.84482%0.816SS**  trans-92135.7152.833.3-27.3000110.9
281S42.5Very low41.2Very low113 Ų113148.4 Ų148.479%0.7982%0.82SS**  trans-119133.2173.3175.20000109.5
282L41.4Very low40.9Very low168 Ų168144.5 Ų144.588%0.8882%0.822SS**  trans-149.5164172.2-85.3-168.8000110.9
283P50.8Low41.3Very low108 Ų108142.5 Ų142.570%0.70183%0.826SS**  trans-102.9168.6-135.838.9-39.2000116.2
284P47.6Very low40.9Very low128 Ų128141.8 Ų141.883%0.83182%0.824SS**  trans-80.6149.8174.533.7-36.1000113.3
285L33.3Very low41.7Very low170 Ų170143.1 Ų143.189%0.8982%0.823SS**  trans-133.1143.9166.5-168.666.9000109.9
286K39.2Very low41.9Very low193 Ų193139.3 Ų139.384%0.83982%0.824SS**  trans-101140.6176.6-64.5178.3177.3-178.90110.9
287T34.8Very low41.9Very low138 Ų138138.7 Ų138.785%0.84782%0.822SS**  trans-152.2149.7153.339.20000109.5
288D32.2Very low42.1Very low150 Ų150140.6 Ų140.680%0.80283%0.829SS**  trans-92.7165.3-166.4-61.1-77.4000115.6
289S36.7Very low43.2Very low126 Ų126135.9 Ų135.988%0.88181%0.81SS**  trans59.7118.8149.964.50000119.8
290G32.1Very low43.6Very low83 Ų83137 Ų13786%0.85681%0.807SS**  trans-179.4116.3164.800000111.5
291S37.8Very low44.1Very low116 Ų116136.4 Ų136.481%0.81180%0.797SS**  trans-88.9136.6178.450.10000111.7
292T35.3Very low44.7Very low145 Ų145138.7 Ų138.789%0.8980%0.8SS**  trans-169.4145.5145.48.60000111.5S294T292-S294 PolarHBondContact O-N 2.88Å
293T48Very low45.5Very low148 Ų148137.5 Ų137.591%0.90879%0.793SS**PPolyproline II helixtrans-73.2120-180-53.70000111.5
294S39.5Very low45.9Very low108 Ų108138.7 Ų138.776%0.75579%0.792SS**PPolyproline II helixtrans-102.9155.216859.70000111.6T292T292-S294 PolarHBondContact O-N 2.88Å
295R51.1Low46Very low232 Ų232136 Ų13688%0.87579%0.789SS**PPolyproline II helixtrans-75.9152.6179.9-65175.3176.3-175.6-2.2110.6S297R295-S297 PolarHBondContact O-N 3.41Å; R295-S297 VanDerWaalsContact O-N 3.16Å
296P49.9Very low46.6Very low131 Ų131132.7 Ų132.785%0.85179%0.785SS**PPolyproline II helixtrans-60.2120.2171.225.8-33.7000110.2
297S48.5Very low46.7Very low105 Ų105127.6 Ų127.673%0.73478%0.779SS**PPolyproline II helixtrans-73.7151.1169.7-166.90000110.1R295 S299R295-S297 PolarHBondContact O-N 3.41Å; R295-S297 VanDerWaalsContact O-N 3.16Å; S297-S299 PolarHBondContact O-N 3.2Å
298F49.1Very low46.9Very low193 Ų193129.1 Ų129.185%0.84678%0.782SS**  trans-8392.7178.653.1-83.6000110.3
299S57.1Low47.2Very low72 Ų72127.7 Ų127.750%0.50378%0.784SS.*  trans-87.8135.8167.4-145.60000110.5S297 D301 N302S297-S299 PolarHBondContact O-N 3.2Å; S299-D301 WeakPolarHBondContact CB-OD2 3.42Å; S299-D301 PolarHBondContact O-N 3.43Å; S299-D301 PolarHBondContact OG-OD2 3.06Å; S299-N302 PolarHBondContact O-N 3.41Å
300I56.6Low47.2Very low119 Ų119127.5 Ų127.561%0.6178%0.783SS**THydrogen-bonded Turntrans-64.7-27.1-174.8-67169.8000111.5N302 I303 I304I300-N302 PolarHBondContact O-N 3.02Å; I300-I303 WeakPolarHBondContact O-CB 3.37Å; I300-I303 PolarHBondContact O-N 2.9Å; I300-I304 HydrophobicContact CG2-CD1 3.88Å
301D62.6Low47.2Very low118 Ų118126.6 Ų126.663%0.63177%0.773SS**Hα-helixtrans-55.9-35.3179.6-39.9-86.9000112.2S299 I303 I304 G305S299-D301 WeakPolarHBondContact CB-OD2 3.42Å; S299-D301 PolarHBondContact O-N 3.43Å; S299-D301 PolarHBondContact OG-OD2 3.06Å; D301-I303 PolarHBondContact O-N 2.8Å; D301-I304 PolarHBondContact O-N 3.45Å; D301-G305 PolarHBondContact O-N 3.05Å
302N55.2Low47.1Very low161 Ų161126.9 Ų126.986%0.86178%0.775SS**Hα-helixtrans-73-4.4-179.3-131.645000113.6S299 I300S299-N302 PolarHBondContact O-N 3.41Å; I300-N302 PolarHBondContact O-N 3.02Å
303I58.6Low47Very low143 Ų143124 Ų12473%0.73376%0.761SS**Hα-helixtrans-102-23178.2-60.6172.6000111.3I300 D301I300-I303 WeakPolarHBondContact O-CB 3.37Å; I300-I303 PolarHBondContact O-N 2.9Å; D301-I303 PolarHBondContact O-N 2.8Å
304I58.7Low46.3Very low133 Ų133127.5 Ų127.568%0.68276%0.759SS**Hα-helixtrans-105.7-27.8-168.9-58.9177.9000112.2I300 D301 A306I300-I304 HydrophobicContact CG2-CD1 3.88Å; D301-I304 PolarHBondContact O-N 3.45Å; I304-A306 PolarHBondContact O-N 2.97Å; I304-A306 VanDerWaalsContact O-N 3.16Å
305G49Very low46.1Very low73 Ų73127.1 Ų127.175%0.75376%0.756SS**  trans-86.648.5-170.900000117.6D301D301-G305 PolarHBondContact O-N 3.05Å
306A46.2Very low45.3Very low99 Ų99120.6 Ų120.682%0.81875%0.752SS**  trans-146.959.6-177.200000115.7I304I304-A306 PolarHBondContact O-N 2.97Å; I304-A306 VanDerWaalsContact O-N 3.16Å
307A41.2Very low44.7Very low87 Ų87123.5 Ų123.572%0.71975%0.754SS**  trans-142.1115.5173.700000113.4
308N38.7Very low43.9Very low170 Ų170123.2 Ų123.291%0.90975%0.752SS**  trans62.1145.1172.6-55.3-22.2000115.4
309S38.9Very low43.3Very low119 Ų119119 Ų11983%0.83275%0.747SS**  cis-151.3167.829.656.40000115.2
310S37.8Very low42.4Very low123 Ų123121.4 Ų121.486%0.8676%0.764SS**  trans-81.7155.8-176.451.40000117.7
311G31.1Very low41.5Very low64 Ų64125.2 Ų125.266%0.6678%0.779SS**  trans160.3119.4161.100000110.8
312S35.7Very low40.2Very low121 Ų121124 Ų12485%0.84679%0.785SS**  71.613069.1-64.30000114
313S33.1Very low39.2Very low84 Ų84125.6 Ų125.659%0.58779%0.787SS**  cis-167.3163.5-6.6-77.40000110.7
314Y34.3Very low38.2Very low223 Ų223126.1 Ų126.188%0.87579%0.79SS**  trans59.2156160.168-110.3000119.6
315S34.5Very low37.2Very low99 Ų99127.5 Ų127.569%0.69280%0.798SS**  cis-171.7146.4-20.148.80000112.2
316A35.1Very low36.7Very low96 Ų96127.9 Ų127.979%0.79379%0.794SS**  trans62.4152.8168.600000116.9
317Q36.1Very low36.2Very low191 Ų191131 Ų13189%0.89379%0.793SS**  cis-152.2162.8-6-122.7168.6-19.700105.3
318S32.4Very low36Very low99 Ų99133.5 Ų133.569%0.69279%0.794SS**  cis-167.7167.832.760.40000113.6
319S35.8Very low36.4Very low104 Ų104131.3 Ų131.373%0.72779%0.787SS**  trans78.5146148.976.60000123
320S38.4Very low37Very low124 Ų124131.9 Ų131.987%0.86779%0.788SS**  trans77.2156.4175.176.60000118.2
321Q38.4Very low36.8Very low198 Ų198130.7 Ų130.793%0.92579%0.786SS**  trans-110.3158.5-150.7-66.1-180-9.500114.8
322A34.8Very low37Very low92 Ų92136 Ų13676%0.7680%0.798SS**  trans-105.4150.3178.700000113.3
323Q33.4Very low37Very low195 Ų195134.7 Ų134.791%0.91179%0.794SS**  trans-140.5108.3165.2-71.3-173.6-8.700109.9
324I38.8Very low37Very low155 Ų155135.9 Ų135.980%0.79580%0.803SS**  trans-149.2117.9166.9-41.7175.3000108.8
325L37Very low36.9Very low162 Ų162130.2 Ų130.285%0.84880%0.802SS**  172.9157.6117.9-110.298.2000110.4
326A39.1Very low37.1Very low80 Ų80130.4 Ų130.466%0.66180%0.803SS**  trans-95.5161.6173.300000111.4
327M34.5Very low37.2Very low164 Ų164131.3 Ų131.381%0.80880%0.804SS**  -171.5121.5125.8-84.5-32.8174.700112.7
328L38.3Very low37.2Very low141 Ų141130.3 Ų130.374%0.73880%0.799SS**  trans29.2123.2137.1-70.2156000122.6
329T46.2Very low37.5Very low123 Ų123132.4 Ų132.476%0.75580%0.802SS**  trans55.7116.7139.353.40000121.8
330P51.9Low37.3Very low132 Ų132133.7 Ų133.786%0.85780%0.8SS**  trans-91.3165.8158.337.7-33.2000112.6
331A34.8Very low37Very low98 Ų98134.6 Ų134.681%0.8179%0.794SS**  trans-143.9148.317300000113.3
332L35.4Very low36.8Very low176 Ų176129.1 Ų129.192%0.92178%0.777SS**  trans76.5156.8156.8-158.859.3000119.7
333A35.6Very low37Very low92 Ų92133.1 Ų133.176%0.7678%0.78SS**  trans76.3144.6169.400000118.1
334S32Very low37.1Very low110 Ų110131.5 Ų131.577%0.76977%0.773SS**  cis-167.3146.9-22.5-175.50000109.8
335A32.4Very low37Very low103 Ų103127.3 Ų127.385%0.85177%0.768SS**  trans-157.4139.5162.600000110.8
336S38.3Very low37Very low104 Ų104125.7 Ų125.773%0.72776%0.759SS**  trans-125.4144.3-173.5-51.50000111.6
337S37.6Very low37Very low115 Ų115129.8 Ų129.880%0.80476%0.763SS**  154.5146.6117590000116.5
338H35.3Very low37.2Very low169 Ų169129.7 Ų129.778%0.78276%0.76SS**  trans86.3137.8141.8-120.1-120.7000123.5
339L39.3Very low37Very low144 Ų144126.6 Ų126.675%0.75476%0.755SS**  trans67134.5169.9-50.5179.8000117.5
340N31.2Very low36.6Very low131 Ų131126.1 Ų126.170%0.70176%0.757SS**  cis118.9136.7-0.7-171.735.7000114
341I33.1Very low37.4Very low142 Ų142125.4 Ų125.473%0.72875%0.752SS**  trans70.5148172.3-113.878.3000114.9
342S35Very low38.3Very low83 Ų83125.8 Ų125.858%0.5875%0.746SS**  cis-156.4158.78.3-105.20000111.7
343Q37.8Very low38.5Very low177 Ų177121.8 Ų121.883%0.82773%0.733SS**  trans62.6166.5148.1-76.9-177.5-60.300120.1
344E36.2Very low38.7Very low161 Ų161126.2 Ų126.275%0.75274%0.738SS**  cis179.4163.4-40.3-110.3-67.5160.400106.4
345G36.8Very low39.1Very low67 Ų67126 Ų12669%0.69173%0.732SS**  trans99126.4171.100000117.8
346L37Very low39.5Very low127 Ų127130 Ų13067%0.66573%0.731SS**  cis173.5142-44.6177.469.2000108.1
347F38.8Very low40.3Very low167 Ų167130.8 Ų130.873%0.73273%0.733SS**  trans68.8159.3173.1-56.5-44000120.1
348Q37.8Very low40.7Very low162 Ų162131.2 Ų131.276%0.75773%0.731SS**  cis-165.4145-36.4-176.3154.5-28.100112.2
349A34.9Very low41Very low75 Ų75132.9 Ų132.962%0.6274%0.736SS**  trans10.8122.816100000123.8
350S38.2Very low41.3Very low114 Ų114132.1 Ų132.180%0.79774%0.738SS**  48.8-173.1102.4-410000121.5
351P67.4Low42.2Very low116 Ų116131.6 Ų131.675%0.75374%0.744SS**  -116.6-149.9-112.637.4-14000111.9
352P54.8Low42.7Very low106 Ų106132 Ų13269%0.68875%0.748SS**  cis-147179.71.341-18.2000119.8
353S38.9Very low43.6Very low93 Ų93135.4 Ų135.465%0.6576%0.759SS**  trans60.4127.3141.563.60000124.6
354Q39.7Very low44.2Very low185 Ų185133.1 Ų133.186%0.86475%0.752SS**  180130.1129.7-95.5158.9100.500107.1
355T40.4Very low44.9Very low104 Ų104131.2 Ų131.264%0.63875%0.752SS**  cis8895.138.165.40000116.7
356F40Very low45.3Very low189 Ų189134 Ų13483%0.82976%0.759SS**  trans69.9164.9140.9-71.8-56.9000118.2
357P55.2Low46.4Very low120 Ų120133 Ų13378%0.77976%0.76SS**  cis-130.3174.120.343.4-27.4000118.5
358T46.2Very low47.2Very low124 Ų124138.7 Ų138.776%0.76179%0.785SS**  trans-79.3159.6167.345.20000112.2
359K42.7Very low47.7Very low203 Ų203137.5 Ų137.588%0.88379%0.786SS**  trans-142.4136.8151.8-172.5166.7-178.5177.80110.8
360T46Very low48.3Very low129 Ų129140.8 Ų140.879%0.79180%0.795SS**  trans-95.4151.6177.245.10000111.5
361S48.2Very low48.9Very low119 Ų119142.3 Ų142.383%0.83280%0.795SS**  trans-150103.9158.758.20000109.2
362N44.5Very low47.8Very low151 Ų151143.8 Ų143.881%0.80780%0.797SS**  trans-114.6121.9172.6-176.7-7.5000106.8
363L54.7Low47.4Very low155 Ų155146.2 Ų146.281%0.81280%0.804SS**  trans-141.198.4-178.7-88.4173.3000111.1
364N49.8Very low47.9Very low129 Ų129149.7 Ų149.769%0.6981%0.814SS**  trans20.6122.1136.3-60.2-25000119.3
365T50.2Low48.5Very low121 Ų121147.2 Ų147.274%0.74281%0.811SS**  47.2114.5115.8-45.80000119.5
366C45.6Very low49.1Very low125 Ų125150.5 Ų150.585%0.84582%0.824SS**  -157.3147.7122.6-100.20000111.9
367P61.3Low49.9Very low105 Ų105147.3 Ų147.368%0.68282%0.824SS**  trans-95.3167.4171.338.9-34.3000112.4
368F54.2Low49.4Very low287 Ų287149.8 Ų149.8100%1.25983%0.828SS**  trans-147.20147.6-96.4-71.9000108.7

Retrieved 368 of 368 residues in 452.2 ms (Link to these results)