A0A3Q0KFG3_SCHMA Loading...

RRM domain-containing protein

AlphaFold DB (A0A5K4EE10), UniProt , Accession A0A3Q0KFG3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 393 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.1Very low33.1Very low245 Ų245169.3 Ų169.3100%1.20784%0.837SS**  0138.30-74.7163.690.500108.1
2T41.3Very low33.3Very low140 Ų140165.3 Ų165.386%0.85982%0.819SS**  trans-52143.2-164.844.60000116.7
3P41.2Very low32.7Very low114 Ų114160.4 Ų160.474%0.7481%0.811SS**  trans-99.1173.3165.938.6-29.6000111.9
4L38.1Very low32.7Very low162 Ų162158 Ų15885%0.84881%0.808SS**  trans131.1135.5169.4-76.2164.7000109.4
5D35.9Very low32.3Very low130 Ų130159.9 Ų159.970%0.69581%0.808SS**  cis-168.6155.8-1.4-156.8-5.5000108.8
6C30.6Very low32.3Very low89 Ų89165.4 Ų165.460%0.60182%0.816SS**  trans65.9119.6141.2-93.40000124.5
7R30.6Very low32.2Very low234 Ų234163.4 Ų163.488%0.88382%0.815SS**  trans96.984.6138.8-64175.4-171.7-147.12.7118.7
8R28.4Very low31.9Very low237 Ų237159.4 Ų159.489%0.89481%0.812SS**  trans-138.8152.2144.8-91.8-177175.8175.9-1.2109.3
9T28.3Very low31.9Very low124 Ų124164.5 Ų164.576%0.76182%0.82SS**  trans81.9129.6-176.166.90000114.1
10W30Very low31.8Very low215 Ų215160.2 Ų160.281%0.81482%0.819SS**  cis-143134.943.7-77.976.9000114.3I12W10-I12 HydrophobicContact CD2-CD1 4.45Å; W10-I12 HydrophobicContact CE3-CD1 3.41Å; W10-I12 VanDerWaalsContact CE3-CD1 3.41Å; W10-I12 HydrophobicContact CE3-CG1 3.51Å; W10-I12 HydrophobicContact CZ3-CD1 3.53Å; W10-I12 HydrophobicContact CZ3-CG1 3.98Å
11L25.5Very low31.5Very low172 Ų172161.5 Ų161.590%0.90182%0.822SS**  trans-105.4115.5159.7-140.9113.3000105.3
12I35.2Very low31.6Very low121 Ų121157.9 Ų157.962%0.62181%0.807SS**  trans-129.5116.9165.5-57.5-177.1000108.4W10 V14W10-I12 HydrophobicContact CD2-CD1 4.45Å; W10-I12 HydrophobicContact CE3-CD1 3.41Å; W10-I12 VanDerWaalsContact CE3-CD1 3.41Å; W10-I12 HydrophobicContact CE3-CG1 3.51Å; W10-I12 HydrophobicContact CZ3-CD1 3.53Å; W10-I12 HydrophobicContact CZ3-CG1 3.98Å; I12-V14 HydrophobicContact CG2-CG2 4Å
13S25.4Very low31.1Very low102 Ų102156.7 Ų156.771%0.71380%0.795SS**  trans-86.4130.9162.9175.40000108.7
14V32.9Very low30.7Very low127 Ų127157.7 Ų157.777%0.7780%0.804SS**  trans-140.6111.4154.9-178.30000109.5I12I12-V14 HydrophobicContact CG2-CG2 4Å
15K27.4Very low30.5Very low187 Ų187157.8 Ų157.881%0.81380%0.797SS**  trans-62.5141.4160.8-77.1172.2170.9174.60110.3
16R32.3Very low30.2Very low248 Ų248156.2 Ų156.294%0.93680%0.802SS**  trans-149.1137.3140.2-107.6177.3-166.3164.43.8111
17T30.2Very low30.4Very low130 Ų130163 Ų16380%0.79882%0.815SS**  trans-89.1151.8-168.735.50000113.9
18A27.3Very low30.6Very low92 Ų92157.4 Ų157.476%0.7681%0.807SS**  trans60.6115.4141.700000121
19R31Very low30.8Very low256 Ų256157.3 Ų157.397%0.96681%0.807SS**  163.4140.4115.7-91.6-177-178.6-155.61.2109.6
20G29.5Very low31.2Very low78 Ų78160.9 Ų160.980%0.80481%0.812SS**  trans137.257.4161.700000115.9L22G20-L22 PolarHBondContact O-N 3.35Å
21E26.5Very low31.2Very low188 Ų188158.9 Ų158.988%0.87981%0.811SS**  trans-58.6113157.9-177.3178.7-167.200109.6
22L35.2Very low31.7Very low169 Ų169156 Ų15689%0.88581%0.805SS**  trans-142.899.8156.5-84.7-176.6000110.8G20 C24G20-L22 PolarHBondContact O-N 3.35Å; L22-C24 PolarHBondContact O-N 3.37Å
23D32.4Very low31.8Very low116 Ų116159.9 Ų159.962%0.6282%0.818SS**  trans-55.1109.1167.8-138.27000110.6K25D23-K25 PolarHBondContact O-N 3.46Å; D23-K25 IonicContact OD2-NZ 3.49Å; D23-K25 PolarHBondContact OD2-NZ 2.75Å
24C32.7Very low32.1Very low135 Ų135165 Ų16591%0.91283%0.827SS**  trans-78.972.1170.3-72.70000109.9L22L22-C24 PolarHBondContact O-N 3.37Å
25K33.9Very low32.2Very low163 Ų163165 Ų16571%0.70983%0.829SS**  trans-72.5124.2168.9-87.5-179.3174.7110.40110.9D23 R27D23-K25 PolarHBondContact O-N 3.46Å; D23-K25 IonicContact OD2-NZ 3.49Å; D23-K25 PolarHBondContact OD2-NZ 2.75Å; K25-R27 PolarHBondContact O-N 2.93Å
26A28.8Very low32.4Very low98 Ų98165.7 Ų165.781%0.8183%0.832SS**  trans-48.1129163.100000112
27R34.9Very low32.6Very low232 Ų232158.7 Ų158.788%0.87582%0.822SS**  trans-141.4102157.6-97.4-175.9178.5-175.5-0.5111.5K25K25-R27 PolarHBondContact O-N 2.93Å
28T34.7Very low32.6Very low116 Ų116159.5 Ų159.571%0.71283%0.827SS**  38.4108.1125.7530000118K30T28-K30 PolarHBondContact O-N 3.48Å
29R32.2Very low32.6Very low235 Ų235158.6 Ų158.689%0.88783%0.826SS**PPolyproline II helixtrans-53.8119.6153.1-78.2178.1169.2175-3.3110.1
30K36.9Very low32.6Very low199 Ų199152.9 Ų152.987%0.86582%0.824SS**PPolyproline II helixtrans-103.1120.5154.2-80.7-173.1176.3-179.10108.5T28T28-K30 PolarHBondContact O-N 3.48Å
31H29.5Very low32.6Very low173 Ų173154.9 Ų154.980%0.80182%0.823SS**PPolyproline II helixtrans-73.9128.3165.7-77.6-92.9000108.9
32S37.6Very low32.7Very low110 Ų110151.8 Ų151.877%0.76982%0.822SS**  trans-141.8110.7155.665.70000110.5
33K36.1Very low32.5Very low204 Ų204148.3 Ų148.389%0.88782%0.818SS**  trans33.7112.9140.7-59.7-177.8179179.10117.9
34K32.3Very low32.2Very low208 Ų208151.7 Ų151.790%0.90483%0.827SS**  trans-55.7144.1154.8-81.5179.5173178.30110.5
35P34.1Very low31.9Very low127 Ų127153.4 Ų153.483%0.82583%0.826SS**  -130.6171.9120.428.3-11.9000113.2
36K33.4Very low31.8Very low202 Ų202151.1 Ų151.188%0.87883%0.831SS**  trans-72.1153.2-168.9-71.9171.1173.3174.90114.1
37S34.9Very low31.8Very low102 Ų102150 Ų15071%0.71383%0.829SS**  trans6129.9160.964.50000120.4
38T30.7Very low31.6Very low146 Ų146146 Ų14690%0.89682%0.823SS**  179.2143.4119.621.10000110.3
39G28.3Very low31.4Very low73 Ų73148.3 Ų148.375%0.75383%0.831SS**  trans75103.815600000118.2P41G39-P41 WeakPolarHBondContact O-CD 3.41Å
40C29.2Very low31.7Very low136 Ų136142.8 Ų142.892%0.91982%0.818SS**PPolyproline II helixtrans-77.2122.5151.8-77.10000108.6
41P30.8Very low31.6Very low120 Ų120138.5 Ų138.578%0.77980%0.804SS**PPolyproline II helixtrans-91.7127.615723.2-8.1000109.2G39 A43G39-P41 WeakPolarHBondContact O-CD 3.41Å; P41-A43 PolarHBondContact O-N 3.44Å
42S28.4Very low31.9Very low123 Ų123135.6 Ų135.686%0.8679%0.794SS**PPolyproline II helixtrans-58.8125168.4-172.40000110
43A31.7Very low31.6Very low97 Ų97137.1 Ų137.180%0.80279%0.794SS**  trans-139.7123.8162.900000109.1P41P41-A43 PolarHBondContact O-N 3.44Å
44K24.9Very low31.6Very low187 Ų187135.6 Ų135.681%0.81379%0.787SS**  trans-68.5168.2-180-67.1170.4174.2174.40112
45L27Very low31.5Very low171 Ų171132.2 Ų132.290%0.89578%0.778SS**  trans83.3127.5168.1-56.8149.2000112.9
46S31.5Very low31.2Very low115 Ų115133 Ų13380%0.80478%0.776SS**  cis-161.6162.628.645.90000110.6
47G28Very low30.9Very low74 Ų74131.8 Ų131.876%0.76377%0.773SS**  trans-53.5134.9-160.200000117.9N49G47-N49 PolarHBondContact O-N 3.05Å
48I32.5Very low30.4Very low147 Ų147132.7 Ų132.775%0.75477%0.774SS**  trans-81.9105.4153.8-53.1173000104.8I50I48-I50 HydrophobicContact CG2-CD1 4.47Å; I48-I50 HydrophobicContact CG2-CG1 3.84Å; I48-I50 PolarHBondContact O-N 3.43Å
49N30.2Very low30.2Very low166 Ų166131.7 Ų131.789%0.88877%0.772SS**  trans-66.884.3167.5-91.2-35.3000108.1G47G47-N49 PolarHBondContact O-N 3.05Å
50I37.6Very low30Very low119 Ų119132.9 Ų132.961%0.6177%0.769SS**  trans-85.3112150.2-46.4176.4000103.1I48 L52I48-I50 HydrophobicContact CG2-CD1 4.47Å; I48-I50 HydrophobicContact CG2-CG1 3.84Å; I48-I50 PolarHBondContact O-N 3.43Å; I50-L52 HydrophobicContact CB-CD1 3.59Å; I50-L52 HydrophobicContact CG2-CD1 3.39Å; I50-L52 PolarHBondContact O-N 2.74Å
51D34.3Very low29.8Very low108 Ų108132.2 Ų132.258%0.57876%0.76SS**  trans-6677175.6-167.49.3000108.3D53D51-D53 VanDerWaalsContact C-N 3.26Å
52L35.6Very low29.5Very low112 Ų112133.8 Ų133.859%0.58676%0.762SS**G310 helixtrans-78.2-10.9178.5-109.191.7000111.9I50 K54I50-L52 HydrophobicContact CB-CD1 3.59Å; I50-L52 HydrophobicContact CG2-CD1 3.39Å; I50-L52 PolarHBondContact O-N 2.74Å; L52-K54 VanDerWaalsContact C-N 3.33Å; L52-K54 PolarHBondContact O-N 2.84Å
53D32Very low29.4Very low142 Ų142135.9 Ų135.976%0.75976%0.755SS**G310 helixtrans-87.12.8-173.5-74.4-28.8000114.1D51D51-D53 VanDerWaalsContact C-N 3.26Å
54K35.7Very low29Very low173 Ų173140 Ų14075%0.75276%0.758SS**G310 helixtrans-93.95.4167.7-85.8179.4-179.5165.30115.1L52L52-K54 VanDerWaalsContact C-N 3.33Å; L52-K54 PolarHBondContact O-N 2.84Å
55L31.7Very low29.2Very low137 Ų137139.8 Ų139.872%0.71775%0.754SS**SBendtrans-105.5-3.6-177.6-111.4149.7000114.9
56N26.6Very low29.4Very low144 Ų144137.6 Ų137.677%0.7775%0.75SS**SBendtrans-113.525.3-175.1-72.2-18.2000114.9
57Q27.3Very low29.2Very low176 Ų176141 Ų14182%0.82275%0.75SS**SBendtrans-11694.4172.7-146156.430.500110.2
58T24.7Very low29.1Very low120 Ų120144.8 Ų144.874%0.73675%0.753SS**  trans5281.3161.143.60000116.4S60T58-S60 PolarHBondContact O-N 3.32Å
59C25.6Very low28.9Very low125 Ų125147.6 Ų147.685%0.84576%0.759SS**  trans-78.373.7154.6-67.80000109.4
60S25Very low28.7Very low99 Ų99150.1 Ų150.169%0.69276%0.763SS**  trans-69.5127.5155.4-66.50000107.7T58 N62T58-S60 PolarHBondContact O-N 3.32Å; S60-N62 PolarHBondContact O-N 3.11Å; S60-N62 VanDerWaalsContact O-N 3.11Å
61V25.7Very low28.5Very low121 Ų121150.9 Ų150.973%0.73377%0.767SS**  trans-55.7112.9180175.10000110.1K63V61-K63 HydrophobicContact CG1-CG 4.49Å
62N24.5Very low28.4Very low153 Ų153148.6 Ų148.682%0.81877%0.77SS**  trans-131.798.9153.7-82.9-29.4000108S60 E64S60-N62 PolarHBondContact O-N 3.11Å; S60-N62 VanDerWaalsContact O-N 3.11Å; N62-E64 PolarHBondContact O-N 3.18Å; N62-E64 VanDerWaalsContact O-N 3.09Å
63K25.8Very low28.2Very low167 Ų167154.2 Ų154.273%0.72678%0.783SS**  trans-74.389.4170.5-75.2178.7-179.9172.50108.4V61 Y65V61-K63 HydrophobicContact CG1-CG 4.49Å; K63-Y65 HydrophobicContact CB-CE2 4.29Å
64E22.3Very low28.5Very low184 Ų184151.7 Ų151.786%0.8677%0.769SS**  trans-110.1104.9168.5-149.4169.8-163.800109.8N62N62-E64 PolarHBondContact O-N 3.18Å; N62-E64 VanDerWaalsContact O-N 3.09Å
65Y30.4Very low28.6Very low182 Ų182147 Ų14771%0.71476%0.755SS**  trans-79.5126.3177.4-65.5-87.9000109.6K63 K67K63-Y65 HydrophobicContact CB-CE2 4.29Å; Y65-K67 PolarHBondContact O-N 2.89Å
66P30.5Very low29.2Very low126 Ų126149.2 Ų149.282%0.81876%0.761SS**  trans-70.5106.8166.626.9-29.1000108.8
67K27.1Very low30.3Very low186 Ų186143.6 Ų143.681%0.80974%0.737SS**  trans-66.7132.3165.2-76.2176.4179.4170.40108.6Y65Y65-K67 PolarHBondContact O-N 2.89Å
68N25.8Very low31.7Very low154 Ų154135.9 Ų135.982%0.82470%0.702SS**  trans89.181.7164.1-54-32.9000118.7
69K28.4Very low34.2Very low205 Ų205136.9 Ų136.989%0.89169%0.693SS**  -144.8113.9126.8-122.9171.8-175.9170.80107.1L71K69-L71 VanDerWaalsContact C-N 3.27Å; K69-L71 PolarHBondContact O-N 3.29Å
70K25.7Very low37.1Very low220 Ų220134.3 Ų134.396%0.95767%0.667SS**  trans-60.589177-76.6-177.9178.21770109.1
71L33.8Very low40.1Very low134 Ų134129.6 Ų129.670%0.70263%0.634SS**  trans-75.2119.9164.1-167.866.9000105.8K69 R73K69-L71 VanDerWaalsContact C-N 3.27Å; K69-L71 PolarHBondContact O-N 3.29Å; L71-R73 PolarHBondContact O-N 2.86Å
72G32.4Very low43.1Very low61 Ų61124.1 Ų124.163%0.62960%0.601SS**  trans-45.8129.5-173.900000111.7L74G72-L74 PolarHBondContact O-N 2.55Å
73R31Very low46.3Very low230 Ų230116.9 Ų116.987%0.86856%0.562SS**  trans-55.4104171.7-90.1-175.2173.8-159.3-1.3107.9L71 T75L71-R73 PolarHBondContact O-N 2.86Å; R73-T75 VanDerWaalsContact C-N 3.28Å; R73-T75 HydrophobicContact CB-CG2 4.33Å; R73-T75 PolarHBondContact O-N 3.2Å
74L39.1Very low49.3Very low88 Ų88110 Ų11046%0.46153%0.534SS..  trans-76.986.9167.2-71169.5000107.2G72 H76G72-L74 PolarHBondContact O-N 2.55Å; L74-H76 PolarHBondContact O-N 3.22Å
75T36.8Very low52.2Low75 Ų75104.6 Ų104.646%0.4652%0.517SS..  trans-73.3117.5173.941.90000109.2R73 G77R73-T75 VanDerWaalsContact C-N 3.28Å; R73-T75 HydrophobicContact CB-CG2 4.33Å; R73-T75 PolarHBondContact O-N 3.2Å; T75-G77 PolarHBondContact O-N 3.43Å
76H44.4Very low55Low183 Ų18396 Ų9685%0.84748%0.483SS*.SBendtrans70.910.6159.3-59.1-71.1000122.1L74L74-H76 PolarHBondContact O-N 3.22Å
77G50.1Low57.6Low26 Ų2691.3 Ų91.327%0.26845%0.452SS..  trans-1385.3-16900000121.2T75 G150T75-G77 PolarHBondContact O-N 3.43Å; G77-G150 PolarHBondContact O-N 3.49Å
78T57.3Low60.4Low14 Ų1486.4 Ų86.49%0.08644%0.441CS..  trans-149.3106.6-172.2380000115.7V148 V149T78-V148 VanDerWaalsContact CG2-C 3.45Å; T78-V148 WeakPolarHBondContact CG2-O 3.22Å; T78-V149 HydrophobicContact CG2-CB 4.28Å; T78-V149 HydrophobicContact CG2-CG2 4.24Å
79R76.6Confident63.1Low142 Ų14281.7 Ų81.754%0.53642%0.419SS..  trans-116.230.4162.9-50.6-177.3-163.8144.36.8110.9D119 F120 S121R79-D119 CarbonylContact O-C 3.54Å; R79-D119 WeakPolarHBondContact O-CA 3.37Å; R79-F120 HydrophobicContact CB-CB 4.24Å; R79-F120 WeakPolarHBondContact CB-O 3.45Å; R79-F120 WeakPolarHBondContact CD-O 3.36Å; R79-F120 PolarHBondContact O-N 3.09Å; R79-S121 WeakPolarHBondContact CD-O 3.47Å; R79-S121 PolarHBondContact NE-O 2.85Å; R79-S121 PolarHBondContact NH1-O 3.15Å
80K85.8Confident66Low70 Ų7072 Ų7230%0.30438%0.378SS..EExtended strand (participates in β ladder)trans-128.9137.4-177.1-57.4-166.4172.2-124.20110.4L118 D119 V148K80-L118 CarbonylContact C-O 3.48Å; K80-L118 VanDerWaalsContact CA-O 3.22Å; K80-L118 WeakPolarHBondContact CA-O 3.27Å; K80-D119 WeakPolarHBondContact CD-OD1 3.44Å; K80-D119 VanDerWaalsContact CE-OD1 3.27Å; K80-D119 WeakPolarHBondContact CE-OD1 3.5Å; K80-D119 HydrophobicContact CG-CB 4.45Å; K80-D119 WeakPolarHBondContact CG-OD1 3.43Å; K80-D119 IonicContact NZ-OD1 2.94Å; K80-D119 PolarHBondContact NZ-OD1 2.87Å; K80-D119 IonicContact NZ-OD2 2.74Å; K80-D119 PolarHBondContact NZ-OD2 2.99Å; K80-V148 HydrophobicContact CB-CB 3.78Å; K80-V148 HydrophobicContact CB-CG1 4.15Å; K80-V148 PolarHBondContact O-N 2.88Å
81L88.8Confident69.1Low1 Ų165.2 Ų65.21%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-130.9132.3-178-161.998.5000110.2L83 L117 L118 F120 Y126 V130 L133 Y145L81-L83 HydrophobicContact CD2-CD2 3.74Å; L81-L83 HydrophobicContact CD2-CG 4.37Å; L81-L117 WeakPolarHBondContact O-CA 3.4Å; L81-L118 HydrophobicContact CB-CB 4.31Å; L81-L118 HydrophobicContact CB-CD1 4.44Å; L81-L118 HydrophobicContact CD2-CD1 3.96Å; L81-L118 PolarHBondContact N-O 2.95Å; L81-L118 PolarHBondContact O-N 3.04Å; L81-F120 HydrophobicContact CB-CE2 4.04Å; L81-Y126 HydrophobicContact CB-CE2 4.22Å; L81-Y126 HydrophobicContact CD1-CD2 4.38Å; L81-Y126 HydrophobicContact CD1-CE2 3.54Å; L81-V130 HydrophobicContact CD1-CG2 3.66Å; L81-L133 HydrophobicContact CD2-CD1 3.16Å; L81-Y145 HydrophobicContact CD1-CD2 4.28Å
82L89.3Confident71.8Confident6 Ų663.3 Ų63.33%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-102.9119.5172.3-177.872.8000109.5T84 A116 L117 Y145 Q146 V148 F203 I205L82-T84 HydrophobicContact CD2-CG2 3.53Å; L82-T84 HydrophobicContact CG-CG2 3.73Å; L82-A116 CarbonylContact C-O 3.21Å; L82-A116 WeakPolarHBondContact CA-O 3.45Å; L82-L117 HydrophobicContact CB-CD1 4.33Å; L82-L117 HydrophobicContact CD1-CD1 4.2Å; L82-Y145 CarbonylContact O-C 3.53Å; L82-Y145 VanDerWaalsContact O-CA 3.23Å; L82-Y145 WeakPolarHBondContact O-CA 3.48Å; L82-Q146 PolarHBondContact N-O 3.08Å; L82-Q146 PolarHBondContact O-N 3.42Å; L82-V148 HydrophobicContact CB-CG2 3.57Å; L82-F203 HydrophobicContact CD1-CB 4.49Å; L82-F203 HydrophobicContact CD1-CD1 4.09Å; L82-F203 HydrophobicContact CD1-CG 4.43Å; L82-F203 HydrophobicContact CD2-CB 4.21Å; L82-F203 HydrophobicContact CD2-CG 4.3Å; L82-I205 HydrophobicContact CB-CD1 4.23Å; L82-I205 HydrophobicContact CD2-CD1 3.32Å; L82-I205 HydrophobicContact CD2-CG1 4.49Å; L82-I205 HydrophobicContact CG-CD1 4.39Å
83L90.5Very high74.5Confident0 Ų064.9 Ų64.90%034%0.337CS..EExtended strand (participates in β ladder)trans-90.7134163.7-56.9-178.6000109.6L81 L86 L95 F99 H115 A116 L118 L133 N144 Y145L81-L83 HydrophobicContact CD2-CD2 3.74Å; L81-L83 HydrophobicContact CD2-CG 4.37Å; L83-L86 HydrophobicContact CB-CD1 3.8Å; L83-L86 HydrophobicContact CB-CD2 4.24Å; L83-L86 HydrophobicContact CB-CG 4.1Å; L83-L86 HydrophobicContact CD1-CD1 4.2Å; L83-L86 HydrophobicContact CD1-CD2 4.39Å; L83-L95 HydrophobicContact CD1-CD2 3.83Å; L83-F99 HydrophobicContact CD1-CE2 4.19Å; L83-H115 CarbonylContact O-C 3.53Å; L83-H115 WeakPolarHBondContact O-CA 3.13Å; L83-A116 HydrophobicContact CB-CB 4.1Å; L83-A116 HydrophobicContact CD1-CB 4.31Å; L83-A116 HydrophobicContact CG-CB 4.49Å; L83-A116 PolarHBondContact N-O 3.37Å; L83-A116 PolarHBondContact O-N 3.14Å; L83-L118 HydrophobicContact CD1-CD1 3.67Å; L83-L118 HydrophobicContact CD2-CD1 4.47Å; L83-L118 HydrophobicContact CG-CD1 3.8Å; L83-L133 HydrophobicContact CD1-CD2 4.41Å; L83-L133 HydrophobicContact CD2-CD1 3.72Å; L83-L133 HydrophobicContact CD2-CD2 3.64Å; L83-L133 HydrophobicContact CD2-CG 4.36Å; L83-N144 CarbonylContact C-O 3.56Å; L83-N144 WeakPolarHBondContact CA-O 3.21Å; L83-Y145 VanDerWaalsContact CD2-CB 3.47Å
84T88.4Confident77.4Confident22 Ų2257 Ų5714%0.13531%0.311CS..EExtended strand (participates in β ladder)trans-128.9155.5178.960.90000111.1L82 L86 H115 N144L82-T84 HydrophobicContact CD2-CG2 3.53Å; L82-T84 HydrophobicContact CG-CG2 3.73Å; T84-L86 VanDerWaalsContact C-N 3.27Å; T84-L86 PolarHBondContact O-N 2.92Å; T84-H115 WeakPolarHBondContact CA-ND1 3.5Å; T84-H115 WeakPolarHBondContact CB-ND1 3.25Å; T84-N144 PolarHBondContact N-O 3.13Å; T84-N144 PolarHBondContact O-N 3.14Å; T84-N144 WeakPolarHBondContact OG1-CB 3.36Å; T84-N144 PolarHBondContact OG1-O 3.43Å
85S84.5Confident79.9Confident72 Ų7252.8 Ų52.850%0.50329%0.289SS..EExtended strand (participates in β ladder)trans60.235.9179.9-52.70000113.2K114S85-K114 PolarHBondContact N-O 3.16Å
86L87.9Confident82.5Confident2 Ų252.9 Ų52.91%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-72.6139.4174-65.3172.4000109.8L83 T84 V90 L95 L107 K114 A116 F138 P143L83-L86 HydrophobicContact CB-CD1 3.8Å; L83-L86 HydrophobicContact CB-CD2 4.24Å; L83-L86 HydrophobicContact CB-CG 4.1Å; L83-L86 HydrophobicContact CD1-CD1 4.2Å; L83-L86 HydrophobicContact CD1-CD2 4.39Å; T84-L86 VanDerWaalsContact C-N 3.27Å; T84-L86 PolarHBondContact O-N 2.92Å; L86-V90 HydrophobicContact CB-CB 4.36Å; L86-V90 HydrophobicContact CD1-CG1 4.3Å; L86-L95 HydrophobicContact CD1-CD1 4.17Å; L86-L107 HydrophobicContact CD1-CD1 4.43Å; L86-K114 HydrophobicContact CB-CB 4Å; L86-K114 WeakPolarHBondContact CB-O 3.33Å; L86-K114 PolarHBondContact N-O 2.74Å; L86-K114 PolarHBondContact O-N 3.33Å; L86-A116 HydrophobicContact CD1-CB 3.81Å; L86-F138 HydrophobicContact CD2-CD2 3.81Å; L86-F138 HydrophobicContact CD2-CE2 3.82Å; L86-F138 HydrophobicContact CD2-CG 4.43Å; L86-F138 HydrophobicContact CD2-CZ 4.46Å; L86-P143 HydrophobicContact CD2-CB 4.05Å
87P85.9Confident84.7Confident26 Ų2650.2 Ų50.217%0.16927%0.273CS..  trans-55.6153.5172.9-25.733.5000112.9S89 V90 F138 D139P87-S89 WeakPolarHBondContact CB-OG 3.46Å; P87-S89 PolarHBondContact O-N 3.13Å; P87-V90 HydrophobicContact CB-CG2 4.26Å; P87-V90 HydrophobicContact CG-CG2 4.31Å; P87-V90 PolarHBondContact O-N 2.72Å; P87-V90 VanDerWaalsContact O-N 3.09Å; P87-F138 HydrophobicContact CG-CB 3.89Å; P87-D139 HydrophobicContact CG-CB 4.27Å
88C85.1Confident86.6Confident84 Ų8450.7 Ų50.757%0.56827%0.269SS*.THydrogen-bonded Turntrans-63.8-20.8178.2-64.30000113.3V90 K114C88-V90 VanDerWaalsContact C-N 3.34Å; C88-K114 VanDerWaalsContact O-CE 3.26Å; C88-K114 WeakPolarHBondContact O-CE 3.24Å; C88-K114 PolarHBondContact O-NZ 2.8Å
89S84.4Confident88.3Confident54 Ų5450.2 Ų50.238%0.37827%0.266SS..THydrogen-bonded Turntrans-68.7-29.3174.155.30000112.8P87 N91 D139P87-S89 WeakPolarHBondContact CB-OG 3.46Å; P87-S89 PolarHBondContact O-N 3.13Å; S89-N91 PolarHBondContact O-N 2.77Å; S89-N91 PolarHBondContact O-OD1 3.09Å; S89-D139 WeakPolarHBondContact CB-OD2 3.41Å; S89-D139 PolarHBondContact OG-OD2 2.63Å
90V88.6Confident88.9Confident3 Ų347.5 Ų47.52%0.01827%0.266CS..  trans-70.4116.9-175.5-179.20000110.3L86 P87 C88 L95 K114 F138L86-V90 HydrophobicContact CB-CB 4.36Å; L86-V90 HydrophobicContact CD1-CG1 4.3Å; P87-V90 HydrophobicContact CB-CG2 4.26Å; P87-V90 HydrophobicContact CG-CG2 4.31Å; P87-V90 PolarHBondContact O-N 2.72Å; P87-V90 VanDerWaalsContact O-N 3.09Å; C88-V90 VanDerWaalsContact C-N 3.34Å; V90-L95 HydrophobicContact CG1-CD1 4.05Å; V90-L95 HydrophobicContact CG1-CD2 3.91Å; V90-L95 HydrophobicContact CG1-CG 3.7Å; V90-K114 WeakPolarHBondContact O-CD 3.29Å; V90-K114 PolarHBondContact O-NZ 3.37Å; V90-F138 HydrophobicContact CG1-CD1 4.38Å; V90-F138 HydrophobicContact CG1-CE1 4.24Å; V90-F138 HydrophobicContact CG2-CB 3.96Å; V90-F138 HydrophobicContact CG2-CD1 3.52Å; V90-F138 HydrophobicContact CG2-CE1 4.2Å; V90-F138 HydrophobicContact CG2-CG 3.9Å
91N90Very high89.1Confident77 Ų7746.4 Ų46.441%0.41227%0.268SS..  trans-112.2171.3179.4-65.1-22.5000110.7S89 T93 I94 L95 K114S89-N91 PolarHBondContact O-N 2.77Å; S89-N91 PolarHBondContact O-OD1 3.09Å; N91-T93 VanDerWaalsContact C-N 3.26Å; N91-T93 PolarHBondContact O-N 3.33Å; N91-I94 PolarHBondContact O-N 3.27Å; N91-L95 PolarHBondContact O-N 3.46Å; N91-K114 PolarHBondContact OD1-NZ 3.41Å
92Q90.6Very high89.1Confident94 Ų9446.8 Ų46.844%0.43927%0.27SS..Hα-helixtrans-61.4-34.3-179.4-177.5162.118.600112.6L95 R96 L105Q92-L95 PolarHBondContact O-N 3.4Å; Q92-R96 HydrophobicContact CG-CG 4.41Å; Q92-R96 VanDerWaalsContact O-CG 3.23Å; Q92-R96 WeakPolarHBondContact O-CG 3.29Å; Q92-R96 PolarHBondContact O-N 2.79Å; Q92-L105 HydrophobicContact CB-CD2 4.28Å; Q92-L105 HydrophobicContact CG-CD1 4.21Å; Q92-L105 HydrophobicContact CG-CD2 3.69Å; Q92-L105 HydrophobicContact CG-CG 4.4Å; Q92-L105 PolarHBondContact NE2-O 3.39Å
93T90.2Very high89.1Confident93 Ų9350.1 Ų50.157%0.57129%0.287SS*.Hα-helixtrans-60.6-54175.843.30000111.8N91 L95 R96 D97N91-T93 VanDerWaalsContact C-N 3.26Å; N91-T93 PolarHBondContact O-N 3.33Å; T93-L95 VanDerWaalsContact C-N 3.26Å; T93-L95 PolarHBondContact O-N 2.91Å; T93-R96 WeakPolarHBondContact O-CA 3.26Å; T93-R96 WeakPolarHBondContact O-CB 3.09Å; T93-R96 PolarHBondContact O-N 3.24Å; T93-D97 VanDerWaalsContact O-CG 3.24Å; T93-D97 PolarHBondContact O-N 3.36Å
94I91.2Very high88.9Confident65 Ų6555.8 Ų55.833%0.33331%0.313SS..Hα-helixtrans-54-44.4178.5-61.4171.6000111.2N91 D97 I98 F138N91-I94 PolarHBondContact O-N 3.27Å; I94-D97 PolarHBondContact O-N 3.2Å; I94-I98 HydrophobicContact CG2-CD1 3.87Å; I94-I98 WeakPolarHBondContact O-CD1 3.44Å; I94-I98 VanDerWaalsContact O-CG1 3.24Å; I94-I98 WeakPolarHBondContact O-CG1 3.31Å; I94-I98 PolarHBondContact O-N 3.09Å; I94-I98 VanDerWaalsContact O-N 3.09Å; I94-F138 HydrophobicContact CG2-CE1 4.29Å
95L91.8Very high89Confident0 Ų055.5 Ų55.50%031%0.311CS..Hα-helixtrans-70.1-30.9178.8-69.7174.9000113.2L83 L86 V90 N91 Q92 T93 F99 L105 L107 A116 F138L83-L95 HydrophobicContact CD1-CD2 3.83Å; L86-L95 HydrophobicContact CD1-CD1 4.17Å; V90-L95 HydrophobicContact CG1-CD1 4.05Å; V90-L95 HydrophobicContact CG1-CD2 3.91Å; V90-L95 HydrophobicContact CG1-CG 3.7Å; N91-L95 PolarHBondContact O-N 3.46Å; Q92-L95 PolarHBondContact O-N 3.4Å; T93-L95 VanDerWaalsContact C-N 3.26Å; T93-L95 PolarHBondContact O-N 2.91Å; L95-F99 HydrophobicContact CD2-CD2 4.42Å; L95-F99 HydrophobicContact CD2-CE2 4.11Å; L95-F99 WeakPolarHBondContact O-CB 3.4Å; L95-F99 WeakPolarHBondContact O-CD2 3.38Å; L95-F99 PolarHBondContact O-N 2.62Å; L95-L105 HydrophobicContact CB-CD1 3.55Å; L95-L105 HydrophobicContact CD1-CD1 4.26Å; L95-L105 HydrophobicContact CD1-CD2 4.48Å; L95-L107 HydrophobicContact CD1-CD1 3.87Å; L95-A116 HydrophobicContact CD1-CB 3.58Å; L95-F138 HydrophobicContact CD2-CE1 4.17Å; L95-F138 HydrophobicContact CD2-CZ 3.8Å
96R92Very high89.1Confident77 Ų7756.2 Ų56.229%0.29131%0.309SS..Hα-helixtrans-70.1-37.9173.8-74.1-70.2-169.5-175.54.1111.5Q92 T93 I98 F99 P100 V102 I103 L105Q92-R96 HydrophobicContact CG-CG 4.41Å; Q92-R96 VanDerWaalsContact O-CG 3.23Å; Q92-R96 WeakPolarHBondContact O-CG 3.29Å; Q92-R96 PolarHBondContact O-N 2.79Å; T93-R96 WeakPolarHBondContact O-CA 3.26Å; T93-R96 WeakPolarHBondContact O-CB 3.09Å; T93-R96 PolarHBondContact O-N 3.24Å; R96-I98 VanDerWaalsContact C-N 3.33Å; R96-F99 CarbonylContact O-C 3.46Å; R96-F99 PolarHBondContact O-N 3.03Å; R96-P100 VanDerWaalsContact O-CA 3.29Å; R96-P100 WeakPolarHBondContact O-CA 3.46Å; R96-P100 VanDerWaalsContact O-N 3.15Å; R96-V102 PolarHBondContact NH1-O 3.14Å; R96-I103 PolarHBondContact NH1-O 3.47Å; R96-I103 PolarHBondContact NH2-O 3.38Å; R96-L105 HydrophobicContact CG-CD1 4.16Å
97D90.1Very high89.1Confident126 Ų12658 Ų5867%0.67432%0.319SS*.Hα-helixtrans-66.2-39.6177.4-59.1-24.4000110.8T93 I94T93-D97 VanDerWaalsContact O-CG 3.24Å; T93-D97 PolarHBondContact O-N 3.36Å; I94-D97 PolarHBondContact O-N 3.2Å
98I90Very high89Confident36 Ų3662.3 Ų62.319%0.18533%0.331CS..Hα-helixtrans-72.4-42.5176.8-65.8167.4000111.9I94 R96 P100 R132 I136 F138I94-I98 HydrophobicContact CG2-CD1 3.87Å; I94-I98 WeakPolarHBondContact O-CD1 3.44Å; I94-I98 VanDerWaalsContact O-CG1 3.24Å; I94-I98 WeakPolarHBondContact O-CG1 3.31Å; I94-I98 PolarHBondContact O-N 3.09Å; I94-I98 VanDerWaalsContact O-N 3.09Å; R96-I98 VanDerWaalsContact C-N 3.33Å; I98-P100 VanDerWaalsContact C-CD 3.43Å; I98-P100 VanDerWaalsContact O-CD 3.29Å; I98-P100 WeakPolarHBondContact O-CD 3.4Å; I98-R132 PolarHBondContact O-NH1 3.4Å; I98-I136 HydrophobicContact CG2-CD1 3.33Å; I98-F138 HydrophobicContact CD1-CE1 3.4Å; I98-F138 HydrophobicContact CD1-CZ 3.7Å
99F91.9Very high88.9Confident5 Ų563.9 Ų63.92%0.02233%0.334CS..  trans-120.273.9-176.5-50.6-68.8000110.9L83 L95 R96 S101 V102 L118 A129 R132 L133L83-F99 HydrophobicContact CD1-CE2 4.19Å; L95-F99 HydrophobicContact CD2-CD2 4.42Å; L95-F99 HydrophobicContact CD2-CE2 4.11Å; L95-F99 WeakPolarHBondContact O-CB 3.4Å; L95-F99 WeakPolarHBondContact O-CD2 3.38Å; L95-F99 PolarHBondContact O-N 2.62Å; R96-F99 CarbonylContact O-C 3.46Å; R96-F99 PolarHBondContact O-N 3.03Å; F99-S101 VanDerWaalsContact C-N 3.29Å; F99-S101 PolarHBondContact O-N 2.88Å; F99-V102 HydrophobicContact CB-CG2 3.47Å; F99-V102 VanDerWaalsContact CB-CG2 3.47Å; F99-V102 WeakPolarHBondContact O-CB 3.49Å; F99-V102 VanDerWaalsContact O-CG2 3.27Å; F99-V102 WeakPolarHBondContact O-CG2 3.48Å; F99-V102 PolarHBondContact O-N 3.49Å; F99-L118 HydrophobicContact CD2-CD1 4.23Å; F99-L118 HydrophobicContact CD2-CD2 4.34Å; F99-L118 HydrophobicContact CE2-CD1 4.4Å; F99-A129 HydrophobicContact CD1-CB 3.65Å; F99-A129 HydrophobicContact CE1-CB 3.97Å; F99-R132 HydrophobicContact CE1-CB 4.14Å; F99-L133 HydrophobicContact CE1-CD1 4.3Å; F99-L133 HydrophobicContact CE1-CD2 4.36Å; F99-L133 HydrophobicContact CE1-CG 3.88Å; F99-L133 HydrophobicContact CE2-CD2 4.25Å; F99-L133 HydrophobicContact CZ-CD1 4.06Å; F99-L133 HydrophobicContact CZ-CD2 3.5Å; F99-L133 VanDerWaalsContact CZ-CD2 3.5Å; F99-L133 HydrophobicContact CZ-CG 3.51Å
100P89.9Confident88.6Confident84 Ų8465.1 Ų65.155%0.54534%0.34SS..THydrogen-bonded Turntrans-65.3-32.3-176.424.4-33.5000112.5R96 I98 V102R96-P100 VanDerWaalsContact O-CA 3.29Å; R96-P100 WeakPolarHBondContact O-CA 3.46Å; R96-P100 VanDerWaalsContact O-N 3.15Å; I98-P100 VanDerWaalsContact C-CD 3.43Å; I98-P100 VanDerWaalsContact O-CD 3.29Å; I98-P100 WeakPolarHBondContact O-CD 3.4Å; P100-V102 PolarHBondContact O-N 3.19Å; P100-V102 VanDerWaalsContact O-N 3.12Å
101S90Very high87.8Confident47 Ų4770.2 Ų70.233%0.32938%0.382SS..THydrogen-bonded Turntrans-732.2-178.7-46.20000115.2F99 D125F99-S101 VanDerWaalsContact C-N 3.29Å; F99-S101 PolarHBondContact O-N 2.88Å; S101-D125 WeakPolarHBondContact CB-OD1 3.5Å; S101-D125 PolarHBondContact OG-OD1 3.34Å
102V89.8Confident87Confident9 Ų969.8 Ų69.86%0.05540%0.395CS..EExtended strand (participates in β ladder)trans-70.5134.8179.4173.30000109.7R96 F99 P100 H104 L105 L118 F120R96-V102 PolarHBondContact NH1-O 3.14Å; F99-V102 HydrophobicContact CB-CG2 3.47Å; F99-V102 VanDerWaalsContact CB-CG2 3.47Å; F99-V102 WeakPolarHBondContact O-CB 3.49Å; F99-V102 VanDerWaalsContact O-CG2 3.27Å; F99-V102 WeakPolarHBondContact O-CG2 3.48Å; F99-V102 PolarHBondContact O-N 3.49Å; P100-V102 PolarHBondContact O-N 3.19Å; P100-V102 VanDerWaalsContact O-N 3.12Å; V102-H104 WeakPolarHBondContact CG1-O 3.32Å; V102-L105 HydrophobicContact CG1-CB 4.01Å; V102-L118 HydrophobicContact CB-CD2 4.5Å; V102-L118 HydrophobicContact CG1-CB 4.46Å; V102-L118 HydrophobicContact CG1-CD2 4.06Å; V102-L118 HydrophobicContact CG2-CB 4.27Å; V102-L118 HydrophobicContact CG2-CD2 3.69Å; V102-F120 HydrophobicContact CB-CE1 4.44Å; V102-F120 HydrophobicContact CG2-CD1 4.08Å; V102-F120 HydrophobicContact CG2-CE1 3.38Å; V102-F120 HydrophobicContact CG2-CZ 3.73Å
103I88.2Confident86.7Confident76 Ų7666.7 Ų66.739%0.3938%0.384SS..EExtended strand (participates in β ladder)trans-81.5-62.1170.3-43174.4000108.9R96 D119 S121R96-I103 PolarHBondContact NH1-O 3.47Å; R96-I103 PolarHBondContact NH2-O 3.38Å; I103-D119 PolarHBondContact N-O 2.85Å; I103-S121 WeakPolarHBondContact CD1-OG 3.4Å; I103-S121 WeakPolarHBondContact CG1-OG 3.49Å
104H86.1Confident86.6Confident120 Ų12063.1 Ų63.156%0.55636%0.361SS*.EExtended strand (participates in β ladder)trans-114.6125.3-176.2-61.3-74.3000110.3V102 D119V102-H104 WeakPolarHBondContact CG1-O 3.32Å; H104-D119 HydrophobicContact CB-CB 3.98Å; H104-D119 PolarHBondContact O-N 3.44Å
105L90.1Very high86.5Confident16 Ų1661.5 Ų61.58%0.08435%0.352CS..EExtended strand (participates in β ladder)trans-119.3118.8174-170.3162.4000108.6Q92 L95 R96 V102 L107 L117 L118Q92-L105 HydrophobicContact CB-CD2 4.28Å; Q92-L105 HydrophobicContact CG-CD1 4.21Å; Q92-L105 HydrophobicContact CG-CD2 3.69Å; Q92-L105 HydrophobicContact CG-CG 4.4Å; Q92-L105 PolarHBondContact NE2-O 3.39Å; L95-L105 HydrophobicContact CB-CD1 3.55Å; L95-L105 HydrophobicContact CD1-CD1 4.26Å; L95-L105 HydrophobicContact CD1-CD2 4.48Å; R96-L105 HydrophobicContact CG-CD1 4.16Å; V102-L105 HydrophobicContact CG1-CB 4.01Å; L105-L107 HydrophobicContact CD2-CB 4.15Å; L105-L117 WeakPolarHBondContact CA-O 3.29Å; L105-L118 HydrophobicContact CD1-CD2 3.82Å; L105-L118 HydrophobicContact CG-CD2 3.89Å
106N86.7Confident86.5Confident86 Ų8661.5 Ų61.546%0.4635%0.352SS..EExtended strand (participates in β ladder)trans-117.9108.9176-163.2-43.4000110.3A116 L117N106-A116 CarbonylContact O-C 3.58Å; N106-A116 WeakPolarHBondContact O-CA 3.34Å; N106-L117 HydrophobicContact CB-CB 4.34Å; N106-L117 PolarHBondContact N-O 2.74Å; N106-L117 PolarHBondContact O-N 2.93Å
107L88.8Confident86.4Confident41 Ų4159.7 Ų59.722%0.21535%0.348CS..EExtended strand (participates in β ladder)trans-95.1125.9177.8-164.772.5000109.8L86 L95 L105 K114 H115 A116L86-L107 HydrophobicContact CD1-CD1 4.43Å; L95-L107 HydrophobicContact CD1-CD1 3.87Å; L105-L107 HydrophobicContact CD2-CB 4.15Å; L107-K114 HydrophobicContact CD1-CB 4.32Å; L107-K114 HydrophobicContact CD2-CD 4.15Å; L107-H115 CarbonylContact C-O 3.51Å; L107-A116 HydrophobicContact CD1-CB 3.78Å
108R84.4Confident86.4Confident115 Ų11553.7 Ų53.743%0.43432%0.315SS..EExtended strand (participates in β ladder)trans-117.4125.5176.7-77.1-175.5169.6-179.7-1.4110.9K114 H115R108-K114 WeakPolarHBondContact O-CA 3.43Å; R108-H115 PolarHBondContact N-O 2.98Å; R108-H115 PolarHBondContact O-N 3.37Å
109N82.4Confident86.4Confident118 Ų11853 Ų5363%0.63131%0.312SS*.EExtended strand (participates in β ladder)trans-86.6127.2173.3-64.6-8.7000109.8K114N109-K114 VanDerWaalsContact OD1-CE 3.29Å; N109-K114 WeakPolarHBondContact OD1-CE 3.45Å; N109-K114 WeakPolarHBondContact OD1-CG 3.43Å
110T77.4Confident86.2Confident80 Ų8053.1 Ų53.149%0.49131%0.313SS..EExtended strand (participates in β ladder)trans-115.9160.2167.5-50.30000107.9G112 S113 H115T110-G112 PolarHBondContact O-N 2.94Å; T110-S113 CarbonylContact C-O 3.43Å; T110-S113 WeakPolarHBondContact CA-O 3.44Å; T110-S113 PolarHBondContact N-O 3.44Å; T110-S113 PolarHBondContact O-N 3.08Å; T110-S113 VanDerWaalsContact O-N 3.13Å; T110-H115 PolarHBondContact OG1-CD2 3.39Å; T110-H115 VanDerWaalsContact OG1-CD2 3.28Å; T110-H115 PolarHBondContact OG1-NE2 2.89Å
111A72.8Confident86.1Confident109 Ų10952.4 Ų52.490%0.90131%0.31SS*.THydrogen-bonded Turntrans-60.396.5-176.900000111.5
112G73.6Confident85.9Confident68 Ų6852.1 Ų52.170%0.70131%0.308SS*.THydrogen-bonded Turntrans99.9-5178.800000116.2T110T110-G112 PolarHBondContact O-N 2.94Å
113S83.2Confident85.7Confident29 Ų2955.1 Ų55.120%0.20332%0.324CS..EExtended strand (participates in β ladder)trans-153.1152.5178.467.20000112.8T110T110-S113 CarbonylContact C-O 3.43Å; T110-S113 WeakPolarHBondContact CA-O 3.44Å; T110-S113 PolarHBondContact N-O 3.44Å; T110-S113 PolarHBondContact O-N 3.08Å; T110-S113 VanDerWaalsContact O-N 3.13Å
114K87.9Confident85.7Confident18 Ų1857 Ų578%0.07833%0.334CS..EExtended strand (participates in β ladder)trans-103.6149.6173.4-62.6-177.9168.71700111.1S85 L86 C88 V90 N91 L107 R108 N109S85-K114 PolarHBondContact N-O 3.16Å; L86-K114 HydrophobicContact CB-CB 4Å; L86-K114 WeakPolarHBondContact CB-O 3.33Å; L86-K114 PolarHBondContact N-O 2.74Å; L86-K114 PolarHBondContact O-N 3.33Å; C88-K114 VanDerWaalsContact O-CE 3.26Å; C88-K114 WeakPolarHBondContact O-CE 3.24Å; C88-K114 PolarHBondContact O-NZ 2.8Å; V90-K114 WeakPolarHBondContact O-CD 3.29Å; V90-K114 PolarHBondContact O-NZ 3.37Å; N91-K114 PolarHBondContact OD1-NZ 3.41Å; L107-K114 HydrophobicContact CD1-CB 4.32Å; L107-K114 HydrophobicContact CD2-CD 4.15Å; R108-K114 WeakPolarHBondContact O-CA 3.43Å; N109-K114 VanDerWaalsContact OD1-CE 3.29Å; N109-K114 WeakPolarHBondContact OD1-CE 3.45Å; N109-K114 WeakPolarHBondContact OD1-CG 3.43Å
115H89.9Confident86Confident32 Ų3253.5 Ų53.515%0.14832%0.32CS..EExtended strand (participates in β ladder)trans-125.9136.9171.8-53.4-76.6000108.6L83 T84 L107 R108 T110L83-H115 CarbonylContact O-C 3.53Å; L83-H115 WeakPolarHBondContact O-CA 3.13Å; T84-H115 WeakPolarHBondContact CA-ND1 3.5Å; T84-H115 WeakPolarHBondContact CB-ND1 3.25Å; L107-H115 CarbonylContact C-O 3.51Å; R108-H115 PolarHBondContact N-O 2.98Å; R108-H115 PolarHBondContact O-N 3.37Å; T110-H115 PolarHBondContact OG1-CD2 3.39Å; T110-H115 VanDerWaalsContact OG1-CD2 3.28Å; T110-H115 PolarHBondContact OG1-NE2 2.89Å
116A91.1Very high85.9Confident0 Ų053.3 Ų53.30%032%0.318CS..EExtended strand (participates in β ladder)trans-120.7131.817800000110.2L82 L83 L86 L95 N106 L107L82-A116 CarbonylContact C-O 3.21Å; L82-A116 WeakPolarHBondContact CA-O 3.45Å; L83-A116 HydrophobicContact CB-CB 4.1Å; L83-A116 HydrophobicContact CD1-CB 4.31Å; L83-A116 HydrophobicContact CG-CB 4.49Å; L83-A116 PolarHBondContact N-O 3.37Å; L83-A116 PolarHBondContact O-N 3.14Å; L86-A116 HydrophobicContact CD1-CB 3.81Å; L95-A116 HydrophobicContact CD1-CB 3.58Å; N106-A116 CarbonylContact O-C 3.58Å; N106-A116 WeakPolarHBondContact O-CA 3.34Å; L107-A116 HydrophobicContact CD1-CB 3.78Å
117L89.3Confident86Confident38 Ų3852.5 Ų52.520%0.19931%0.313CS..EExtended strand (participates in β ladder)trans-102.9124.4168.2-169.774.4000108.4L81 L82 L105 N106 V148L81-L117 WeakPolarHBondContact O-CA 3.4Å; L82-L117 HydrophobicContact CB-CD1 4.33Å; L82-L117 HydrophobicContact CD1-CD1 4.2Å; L105-L117 WeakPolarHBondContact CA-O 3.29Å; N106-L117 HydrophobicContact CB-CB 4.34Å; N106-L117 PolarHBondContact N-O 2.74Å; N106-L117 PolarHBondContact O-N 2.93Å; L117-V148 HydrophobicContact CD1-CB 4.38Å; L117-V148 HydrophobicContact CD1-CG1 4.38Å; L117-V148 HydrophobicContact CD1-CG2 3.77Å
118L91.1Very high86.2Confident0 Ų053.5 Ų53.50%032%0.319CS..EExtended strand (participates in β ladder)trans-115.8124.7-177.1-59.7155000108.4K80 L81 L83 F99 V102 L105 F120K80-L118 CarbonylContact C-O 3.48Å; K80-L118 VanDerWaalsContact CA-O 3.22Å; K80-L118 WeakPolarHBondContact CA-O 3.27Å; L81-L118 HydrophobicContact CB-CB 4.31Å; L81-L118 HydrophobicContact CB-CD1 4.44Å; L81-L118 HydrophobicContact CD2-CD1 3.96Å; L81-L118 PolarHBondContact N-O 2.95Å; L81-L118 PolarHBondContact O-N 3.04Å; L83-L118 HydrophobicContact CD1-CD1 3.67Å; L83-L118 HydrophobicContact CD2-CD1 4.47Å; L83-L118 HydrophobicContact CG-CD1 3.8Å; F99-L118 HydrophobicContact CD2-CD1 4.23Å; F99-L118 HydrophobicContact CD2-CD2 4.34Å; F99-L118 HydrophobicContact CE2-CD1 4.4Å; V102-L118 HydrophobicContact CB-CD2 4.5Å; V102-L118 HydrophobicContact CG1-CB 4.46Å; V102-L118 HydrophobicContact CG1-CD2 4.06Å; V102-L118 HydrophobicContact CG2-CB 4.27Å; V102-L118 HydrophobicContact CG2-CD2 3.69Å; L105-L118 HydrophobicContact CD1-CD2 3.82Å; L105-L118 HydrophobicContact CG-CD2 3.89Å; L118-F120 HydrophobicContact CB-CE2 3.76Å; L118-F120 HydrophobicContact CB-CZ 3.94Å
119D89Confident86.5Confident22 Ų2248.1 Ų48.112%0.11830%0.299CS..EExtended strand (participates in β ladder)trans-110.5136.3174.3-62.2-19.4000110.1R79 K80 I103 H104R79-D119 CarbonylContact O-C 3.54Å; R79-D119 WeakPolarHBondContact O-CA 3.37Å; K80-D119 WeakPolarHBondContact CD-OD1 3.44Å; K80-D119 VanDerWaalsContact CE-OD1 3.27Å; K80-D119 WeakPolarHBondContact CE-OD1 3.5Å; K80-D119 HydrophobicContact CG-CB 4.45Å; K80-D119 WeakPolarHBondContact CG-OD1 3.43Å; K80-D119 IonicContact NZ-OD1 2.94Å; K80-D119 PolarHBondContact NZ-OD1 2.87Å; K80-D119 IonicContact NZ-OD2 2.74Å; K80-D119 PolarHBondContact NZ-OD2 2.99Å; I103-D119 PolarHBondContact N-O 2.85Å; H104-D119 HydrophobicContact CB-CB 3.98Å; H104-D119 PolarHBondContact O-N 3.44Å
120F89.6Confident86.8Confident8 Ų843 Ų434%0.03527%0.272CS..EExtended strand (participates in β ladder)trans-119148.5-176.2-59.7-86.5000111.6R79 L81 V102 L118 D125 Y126 A129R79-F120 HydrophobicContact CB-CB 4.24Å; R79-F120 WeakPolarHBondContact CB-O 3.45Å; R79-F120 WeakPolarHBondContact CD-O 3.36Å; R79-F120 PolarHBondContact O-N 3.09Å; L81-F120 HydrophobicContact CB-CE2 4.04Å; V102-F120 HydrophobicContact CB-CE1 4.44Å; V102-F120 HydrophobicContact CG2-CD1 4.08Å; V102-F120 HydrophobicContact CG2-CE1 3.38Å; V102-F120 HydrophobicContact CG2-CZ 3.73Å; L118-F120 HydrophobicContact CB-CE2 3.76Å; L118-F120 HydrophobicContact CB-CZ 3.94Å; F120-D125 HydrophobicContact CB-CB 4.25Å; F120-D125 HydrophobicContact CD1-CB 3.94Å; F120-D125 HydrophobicContact CG-CB 4.47Å; F120-Y126 AromaticContact CD2-CD2 3.96Å; F120-Y126 HydrophobicContact CD2-CD2 3.96Å; F120-Y126 HydrophobicContact CE2-CD2 4.2Å; F120-A129 HydrophobicContact CE1-CB 3.6Å; F120-A129 HydrophobicContact CE2-CB 4.2Å; F120-A129 HydrophobicContact CZ-CB 3.34Å
121S86.5Confident87.4Confident68 Ų6843.2 Ų43.248%0.47627%0.27SS..SBendtrans-75-49176.9-70.60000111.5R79 I103R79-S121 WeakPolarHBondContact CD-O 3.47Å; R79-S121 PolarHBondContact NE-O 2.85Å; R79-S121 PolarHBondContact NH1-O 3.15Å; I103-S121 WeakPolarHBondContact CD1-OG 3.4Å; I103-S121 WeakPolarHBondContact CG1-OG 3.49Å
122S86.5Confident88.2Confident41 Ų4142.7 Ų42.729%0.28725%0.245SC..SBendtrans-104.3156-177.5-175.10000111.9D124 D125 Y126S122-D124 VanDerWaalsContact C-N 3.27Å; S122-D124 PolarHBondContact OG-N 2.93Å; S122-D124 VanDerWaalsContact OG-N 3.16Å; S122-D125 VanDerWaalsContact CB-OD2 3.31Å; S122-D125 WeakPolarHBondContact CB-OD2 3.45Å; S122-D125 PolarHBondContact N-OD2 3.35Å; S122-Y126 PolarHBondContact O-N 3.46Å
123N85.2Confident88.9Confident73 Ų7339.4 Ų39.439%0.3921%0.211SC..Hα-helixtrans-68.2-30.6168.1-173.768.4000111.5Y126 L127N123-Y126 WeakPolarHBondContact O-CB 3.26Å; N123-Y126 PolarHBondContact O-N 3.34Å; N123-L127 WeakPolarHBondContact O-CG 3.23Å; N123-L127 PolarHBondContact O-N 3.45Å
124D88.5Confident89Confident115 Ų11542.5 Ų42.562%0.61522%0.221SC*.Hα-helixtrans-68.6-42.3179.1-61.6-36.7000111.2S122 Y126 L127 D128S122-D124 VanDerWaalsContact C-N 3.27Å; S122-D124 PolarHBondContact OG-N 2.93Å; S122-D124 VanDerWaalsContact OG-N 3.16Å; D124-Y126 VanDerWaalsContact C-N 3.29Å; D124-Y126 PolarHBondContact O-N 2.91Å; D124-L127 PolarHBondContact O-N 2.99Å; D124-D128 WeakPolarHBondContact O-CB 3.48Å; D124-D128 PolarHBondContact O-N 2.91Å
125D91Very high88.9Confident46 Ų4646.3 Ų46.325%0.24625%0.25CS..Hα-helixtrans-60.3-40.5173.9-63.9-40.6000111.9S101 F120 S122 D128 A129S101-D125 WeakPolarHBondContact CB-OD1 3.5Å; S101-D125 PolarHBondContact OG-OD1 3.34Å; F120-D125 HydrophobicContact CB-CB 4.25Å; F120-D125 HydrophobicContact CD1-CB 3.94Å; F120-D125 HydrophobicContact CG-CB 4.47Å; S122-D125 VanDerWaalsContact CB-OD2 3.31Å; S122-D125 WeakPolarHBondContact CB-OD2 3.45Å; S122-D125 PolarHBondContact N-OD2 3.35Å; D125-D128 PolarHBondContact O-N 3.19Å; D125-A129 WeakPolarHBondContact O-CB 3.23Å; D125-A129 PolarHBondContact O-N 2.76Å
126Y89.7Confident88.7Confident13 Ų1346.5 Ų46.55%0.05125%0.252CS..Hα-helixtrans-63.2-45.6175.5167-94.9000111.3L81 F120 S122 N123 D124 A129 V130 A147L81-Y126 HydrophobicContact CB-CE2 4.22Å; L81-Y126 HydrophobicContact CD1-CD2 4.38Å; L81-Y126 HydrophobicContact CD1-CE2 3.54Å; F120-Y126 AromaticContact CD2-CD2 3.96Å; F120-Y126 HydrophobicContact CD2-CD2 3.96Å; F120-Y126 HydrophobicContact CE2-CD2 4.2Å; S122-Y126 PolarHBondContact O-N 3.46Å; N123-Y126 WeakPolarHBondContact O-CB 3.26Å; N123-Y126 PolarHBondContact O-N 3.34Å; D124-Y126 VanDerWaalsContact C-N 3.29Å; D124-Y126 PolarHBondContact O-N 2.91Å; Y126-A129 PolarHBondContact O-N 3.17Å; Y126-V130 HydrophobicContact CD1-CG2 4.46Å; Y126-V130 HydrophobicContact CD2-CG2 4.48Å; Y126-V130 HydrophobicContact CE1-CG2 3.99Å; Y126-V130 HydrophobicContact CE2-CG2 4.03Å; Y126-V130 VanDerWaalsContact O-CG2 3.32Å; Y126-V130 WeakPolarHBondContact O-CG2 3.32Å; Y126-V130 PolarHBondContact O-N 3.36Å; Y126-A147 WeakPolarHBondContact OH-CB 3.32Å
127L88.8Confident88.6Confident68 Ų6852.4 Ų52.436%0.35628%0.279SS..Hα-helixtrans-65.9-39178.3-72.6174.6000111.9N123 D124 V130 N131N123-L127 WeakPolarHBondContact O-CG 3.23Å; N123-L127 PolarHBondContact O-N 3.45Å; D124-L127 PolarHBondContact O-N 2.99Å; L127-V130 PolarHBondContact O-N 2.95Å; L127-N131 WeakPolarHBondContact O-CB 3.47Å; L127-N131 VanDerWaalsContact O-CG 3.28Å; L127-N131 PolarHBondContact O-N 3.35Å; L127-N131 PolarHBondContact O-ND2 2.96Å; L127-N131 VanDerWaalsContact O-ND2 3.17Å
128D91.4Very high88.4Confident63 Ų6351.1 Ų51.134%0.33727%0.272SS..Hα-helixtrans-59.7-49173.3-174.753.1000110.8D124 D125 V130 N131 R132D124-D128 WeakPolarHBondContact O-CB 3.48Å; D124-D128 PolarHBondContact O-N 2.91Å; D125-D128 PolarHBondContact O-N 3.19Å; D128-V130 VanDerWaalsContact C-N 3.34Å; D128-V130 PolarHBondContact O-N 3.36Å; D128-N131 PolarHBondContact O-N 2.95Å; D128-N131 VanDerWaalsContact O-N 3.08Å; D128-R132 WeakPolarHBondContact O-CG 3.19Å; D128-R132 PolarHBondContact O-N 3.18Å; D128-R132 IonicContact OD1-NE 3.83Å; D128-R132 IonicContact OD2-CZ 2.69Å; D128-R132 VanDerWaalsContact OD2-CZ 3.24Å; D128-R132 IonicContact OD2-NE 3.13Å; D128-R132 PolarHBondContact OD2-NE 3.02Å; D128-R132 IonicContact OD2-NH2 3.77Å; D128-R132 PolarHBondContact OD2-NH2 3.3Å
129A91.7Very high88.1Confident2 Ų256.6 Ų56.62%0.01730%0.302CS..Hα-helixtrans-59.4-42.7176.500000112.6F99 F120 D125 Y126 N131 R132 L133F99-A129 HydrophobicContact CD1-CB 3.65Å; F99-A129 HydrophobicContact CE1-CB 3.97Å; F120-A129 HydrophobicContact CE1-CB 3.6Å; F120-A129 HydrophobicContact CE2-CB 4.2Å; F120-A129 HydrophobicContact CZ-CB 3.34Å; D125-A129 WeakPolarHBondContact O-CB 3.23Å; D125-A129 PolarHBondContact O-N 2.76Å; Y126-A129 PolarHBondContact O-N 3.17Å; A129-N131 VanDerWaalsContact C-N 3.3Å; A129-N131 PolarHBondContact O-N 3.48Å; A129-R132 PolarHBondContact O-N 2.87Å; A129-L133 WeakPolarHBondContact O-CB 3.4Å; A129-L133 WeakPolarHBondContact O-CD1 3.41Å; A129-L133 VanDerWaalsContact O-CG 3.32Å; A129-L133 WeakPolarHBondContact O-CG 3.46Å; A129-L133 PolarHBondContact O-N 3.46Å
130V88.5Confident87.7Confident11 Ų1158.6 Ų58.67%0.06733%0.327CS..Hα-helixtrans-62.6-38175.5169.50000111.5L81 Y126 L127 D128 K134 Y145L81-V130 HydrophobicContact CD1-CG2 3.66Å; Y126-V130 HydrophobicContact CD1-CG2 4.46Å; Y126-V130 HydrophobicContact CD2-CG2 4.48Å; Y126-V130 HydrophobicContact CE1-CG2 3.99Å; Y126-V130 HydrophobicContact CE2-CG2 4.03Å; Y126-V130 VanDerWaalsContact O-CG2 3.32Å; Y126-V130 WeakPolarHBondContact O-CG2 3.32Å; Y126-V130 PolarHBondContact O-N 3.36Å; L127-V130 PolarHBondContact O-N 2.95Å; D128-V130 VanDerWaalsContact C-N 3.34Å; D128-V130 PolarHBondContact O-N 3.36Å; V130-K134 PolarHBondContact O-N 3.28Å; V130-Y145 HydrophobicContact CG1-CE2 4.13Å
131N89.4Confident87.3Confident84 Ų8461.9 Ų61.945%0.44935%0.348SS..Hα-helixtrans-70.2-43.1177.8-72.1-32.2000111.7L127 D128 A129 L133 K134L127-N131 WeakPolarHBondContact O-CB 3.47Å; L127-N131 VanDerWaalsContact O-CG 3.28Å; L127-N131 PolarHBondContact O-N 3.35Å; L127-N131 PolarHBondContact O-ND2 2.96Å; L127-N131 VanDerWaalsContact O-ND2 3.17Å; D128-N131 PolarHBondContact O-N 2.95Å; D128-N131 VanDerWaalsContact O-N 3.08Å; A129-N131 VanDerWaalsContact C-N 3.3Å; A129-N131 PolarHBondContact O-N 3.48Å; N131-L133 VanDerWaalsContact C-N 3.31Å; N131-L133 PolarHBondContact O-N 2.84Å; N131-K134 WeakPolarHBondContact O-CB 3.44Å; N131-K134 PolarHBondContact O-N 2.89Å; N131-K134 VanDerWaalsContact O-N 3.14Å; N131-K134 PolarHBondContact OD1-NZ 2.82Å
132R89.4Confident87.2Confident97 Ų9764.3 Ų64.337%0.36635%0.35SS..Hα-helixtrans-58-41.6173.2-68.6177.7-169.8-128-2.5112.2I98 F99 D128 A129 K134 S135 I136I98-R132 PolarHBondContact O-NH1 3.4Å; F99-R132 HydrophobicContact CE1-CB 4.14Å; D128-R132 WeakPolarHBondContact O-CG 3.19Å; D128-R132 PolarHBondContact O-N 3.18Å; D128-R132 IonicContact OD1-NE 3.83Å; D128-R132 IonicContact OD2-CZ 2.69Å; D128-R132 VanDerWaalsContact OD2-CZ 3.24Å; D128-R132 IonicContact OD2-NE 3.13Å; D128-R132 PolarHBondContact OD2-NE 3.02Å; D128-R132 IonicContact OD2-NH2 3.77Å; D128-R132 PolarHBondContact OD2-NH2 3.3Å; A129-R132 PolarHBondContact O-N 2.87Å; R132-K134 PolarHBondContact O-N 2.76Å; R132-S135 PolarHBondContact O-N 3.39Å; R132-S135 VanDerWaalsContact O-N 3.15Å; R132-S135 PolarHBondContact O-OG 2.77Å; R132-I136 HydrophobicContact CB-CD1 4.03Å; R132-I136 WeakPolarHBondContact O-CD1 3.42Å; R132-I136 VanDerWaalsContact O-CG1 3.25Å; R132-I136 WeakPolarHBondContact O-CG1 3.24Å; R132-I136 PolarHBondContact O-N 2.89Å; R132-I136 VanDerWaalsContact O-N 3.14Å
133L89.6Confident87.1Confident0 Ų062.7 Ų62.70%034%0.339CS..Hα-helixtrans-64.5-19.5178.8-78.1163.5000114.6L81 L83 F99 A129 N131 S135 P143 Y145L81-L133 HydrophobicContact CD2-CD1 3.16Å; L83-L133 HydrophobicContact CD1-CD2 4.41Å; L83-L133 HydrophobicContact CD2-CD1 3.72Å; L83-L133 HydrophobicContact CD2-CD2 3.64Å; L83-L133 HydrophobicContact CD2-CG 4.36Å; F99-L133 HydrophobicContact CE1-CD1 4.3Å; F99-L133 HydrophobicContact CE1-CD2 4.36Å; F99-L133 HydrophobicContact CE1-CG 3.88Å; F99-L133 HydrophobicContact CE2-CD2 4.25Å; F99-L133 HydrophobicContact CZ-CD1 4.06Å; F99-L133 HydrophobicContact CZ-CD2 3.5Å; F99-L133 VanDerWaalsContact CZ-CD2 3.5Å; F99-L133 HydrophobicContact CZ-CG 3.51Å; A129-L133 WeakPolarHBondContact O-CB 3.4Å; A129-L133 WeakPolarHBondContact O-CD1 3.41Å; A129-L133 VanDerWaalsContact O-CG 3.32Å; A129-L133 WeakPolarHBondContact O-CG 3.46Å; A129-L133 PolarHBondContact O-N 3.46Å; N131-L133 VanDerWaalsContact C-N 3.31Å; N131-L133 PolarHBondContact O-N 2.84Å; L133-S135 VanDerWaalsContact C-N 3.29Å; L133-P143 HydrophobicContact CD2-CB 4.38Å; L133-P143 HydrophobicContact CD2-CG 3.8Å; L133-Y145 HydrophobicContact CB-CD1 3.84Å; L133-Y145 HydrophobicContact CB-CE1 3.83Å; L133-Y145 HydrophobicContact CB-CG 4.35Å; L133-Y145 HydrophobicContact CD1-CD1 4.29Å; L133-Y145 HydrophobicContact CD1-CD2 4.42Å; L133-Y145 HydrophobicContact CD1-CG 4.03Å; L133-Y145 HydrophobicContact CG-CD1 4.49Å
134K85.7Confident87.1Confident93 Ų9363.1 Ų63.140%0.40434%0.341SS..Hα-helixtrans-70.6-29.4176-69169-173.1163.40112.1V130 N131 R132 K142 Y145V130-K134 PolarHBondContact O-N 3.28Å; N131-K134 WeakPolarHBondContact O-CB 3.44Å; N131-K134 PolarHBondContact O-N 2.89Å; N131-K134 VanDerWaalsContact O-N 3.14Å; N131-K134 PolarHBondContact OD1-NZ 2.82Å; R132-K134 PolarHBondContact O-N 2.76Å; K134-K142 WeakPolarHBondContact O-CE 3.45Å; K134-K142 PolarHBondContact O-NZ 3.37Å; K134-Y145 WeakPolarHBondContact CG-OH 3.37Å
135S84.1Confident87.2Confident99 Ų9960.9 Ų60.969%0.69232%0.324SS*.Hα-helixtrans-106.6-9.4-175.553.40000114.4R132 L133R132-S135 PolarHBondContact O-N 3.39Å; R132-S135 VanDerWaalsContact O-N 3.15Å; R132-S135 PolarHBondContact O-OG 2.77Å; L133-S135 VanDerWaalsContact C-N 3.29Å
136I87.4Confident86.8Confident36 Ų3663.2 Ų63.219%0.18533%0.333CS..  trans-89.9139.8-179.4-71.2170.3000111.2I98 R132 F138 P143I98-I136 HydrophobicContact CG2-CD1 3.33Å; R132-I136 HydrophobicContact CB-CD1 4.03Å; R132-I136 WeakPolarHBondContact O-CD1 3.42Å; R132-I136 VanDerWaalsContact O-CG1 3.25Å; R132-I136 WeakPolarHBondContact O-CG1 3.24Å; R132-I136 PolarHBondContact O-N 2.89Å; R132-I136 VanDerWaalsContact O-N 3.14Å; I136-F138 HydrophobicContact CG2-CD2 4.22Å; I136-F138 HydrophobicContact CG2-CE1 4.37Å; I136-F138 HydrophobicContact CG2-CE2 3.83Å; I136-F138 HydrophobicContact CG2-CZ 3.91Å; I136-P143 WeakPolarHBondContact O-CD 3.49Å
137E88.6Confident86.4Confident123 Ų12364.4 Ų64.458%0.57535%0.346SS*.  trans-126.8138.2169.1-62.8-176.2171.100109.1
138F85.6Confident85.6Confident12 Ų1261.3 Ų61.35%0.05333%0.33CS..BIsolated β-bridgetrans-105.7115.8176.7-65.8-81.3000108.5L86 P87 V90 I94 L95 I98 I136 G140 T141 P143L86-F138 HydrophobicContact CD2-CD2 3.81Å; L86-F138 HydrophobicContact CD2-CE2 3.82Å; L86-F138 HydrophobicContact CD2-CG 4.43Å; L86-F138 HydrophobicContact CD2-CZ 4.46Å; P87-F138 HydrophobicContact CG-CB 3.89Å; V90-F138 HydrophobicContact CG1-CD1 4.38Å; V90-F138 HydrophobicContact CG1-CE1 4.24Å; V90-F138 HydrophobicContact CG2-CB 3.96Å; V90-F138 HydrophobicContact CG2-CD1 3.52Å; V90-F138 HydrophobicContact CG2-CE1 4.2Å; V90-F138 HydrophobicContact CG2-CG 3.9Å; I94-F138 HydrophobicContact CG2-CE1 4.29Å; L95-F138 HydrophobicContact CD2-CE1 4.17Å; L95-F138 HydrophobicContact CD2-CZ 3.8Å; I98-F138 HydrophobicContact CD1-CE1 3.4Å; I98-F138 HydrophobicContact CD1-CZ 3.7Å; I136-F138 HydrophobicContact CG2-CD2 4.22Å; I136-F138 HydrophobicContact CG2-CE1 4.37Å; I136-F138 HydrophobicContact CG2-CE2 3.83Å; I136-F138 HydrophobicContact CG2-CZ 3.91Å; F138-G140 VanDerWaalsContact C-N 3.25Å; F138-G140 PolarHBondContact O-N 3.12Å; F138-T141 PolarHBondContact N-O 2.86Å; F138-T141 WeakPolarHBondContact O-CA 3.38Å; F138-T141 WeakPolarHBondContact O-CB 3.21Å; F138-T141 PolarHBondContact O-N 3.28Å; F138-P143 HydrophobicContact CD2-CB 3.72Å; F138-P143 HydrophobicContact CD2-CG 3.76Å; F138-P143 HydrophobicContact CE2-CB 3.73Å; F138-P143 HydrophobicContact CE2-CG 3.67Å
139D83.4Confident84.2Confident115 Ų11560 Ų6062%0.61532%0.324SS*.THydrogen-bonded Turntrans50.144.7-175.1-59.7-17.5000112.4P87 S89 T141P87-D139 HydrophobicContact CG-CB 4.27Å; S89-D139 WeakPolarHBondContact CB-OD2 3.41Å; S89-D139 PolarHBondContact OG-OD2 2.63Å; D139-T141 PolarHBondContact O-N 2.91Å
140G81.8Confident82.2Confident63 Ų6360.9 Ų60.965%0.64933%0.333SS*.THydrogen-bonded Turntrans69.18.2-176.800000114.9F138F138-G140 VanDerWaalsContact C-N 3.25Å; F138-G140 PolarHBondContact O-N 3.12Å
141T80.3Confident80.2Confident77 Ų7763.3 Ų63.347%0.47234%0.342SS..BIsolated β-bridgetrans-110.1123.2177.5-53.60000110.4F138 D139F138-T141 PolarHBondContact N-O 2.86Å; F138-T141 WeakPolarHBondContact O-CA 3.38Å; F138-T141 WeakPolarHBondContact O-CB 3.21Å; F138-T141 PolarHBondContact O-N 3.28Å; D139-T141 PolarHBondContact O-N 2.91Å
142K85.2Confident77.6Confident119 Ų11964.5 Ų64.552%0.51735%0.352SS..PPolyproline II helixtrans-66.6125.9174.8-165.4168.7-169.5148.80110.6K134K134-K142 WeakPolarHBondContact O-CE 3.45Å; K134-K142 PolarHBondContact O-NZ 3.37Å
143P83.2Confident75Confident8 Ų868.5 Ų68.55%0.05238%0.375CS..PPolyproline II helixtrans-67138.2178.927.4-34.1000111L86 L133 I136 F138L86-P143 HydrophobicContact CD2-CB 4.05Å; L133-P143 HydrophobicContact CD2-CB 4.38Å; L133-P143 HydrophobicContact CD2-CG 3.8Å; I136-P143 WeakPolarHBondContact O-CD 3.49Å; F138-P143 HydrophobicContact CD2-CB 3.72Å; F138-P143 HydrophobicContact CD2-CG 3.76Å; F138-P143 HydrophobicContact CE2-CB 3.73Å; F138-P143 HydrophobicContact CE2-CG 3.67Å
144N86.6Confident72.2Confident81 Ų8171.6 Ų71.643%0.43339%0.392SS..EExtended strand (participates in β ladder)trans-88.1120.5170.9-176.9-11.9000109.1L83 T84L83-N144 CarbonylContact C-O 3.56Å; L83-N144 WeakPolarHBondContact CA-O 3.21Å; T84-N144 PolarHBondContact N-O 3.13Å; T84-N144 PolarHBondContact O-N 3.14Å; T84-N144 WeakPolarHBondContact OG1-CB 3.36Å; T84-N144 PolarHBondContact OG1-O 3.43Å
145Y88.9Confident69.8Low68 Ų6872.7 Ų72.727%0.26741%0.406SS..EExtended strand (participates in β ladder)trans-125.2145.2-177.964.9-91.6000112.6L81 L82 L83 V130 L133 K134L81-Y145 HydrophobicContact CD1-CD2 4.28Å; L82-Y145 CarbonylContact O-C 3.53Å; L82-Y145 VanDerWaalsContact O-CA 3.23Å; L82-Y145 WeakPolarHBondContact O-CA 3.48Å; L83-Y145 VanDerWaalsContact CD2-CB 3.47Å; V130-Y145 HydrophobicContact CG1-CE2 4.13Å; L133-Y145 HydrophobicContact CB-CD1 3.84Å; L133-Y145 HydrophobicContact CB-CE1 3.83Å; L133-Y145 HydrophobicContact CB-CG 4.35Å; L133-Y145 HydrophobicContact CD1-CD1 4.29Å; L133-Y145 HydrophobicContact CD1-CD2 4.42Å; L133-Y145 HydrophobicContact CD1-CG 4.03Å; L133-Y145 HydrophobicContact CG-CD1 4.49Å; K134-Y145 WeakPolarHBondContact CG-OH 3.37Å
146Q83.8Confident67.5Low95 Ų9574 Ų7444%0.44441%0.41SS..EExtended strand (participates in β ladder)trans-137.4140.8176.6-73.7-176.1-0.200111.2L82 I205L82-Q146 PolarHBondContact N-O 3.08Å; L82-Q146 PolarHBondContact O-N 3.42Å; Q146-I205 HydrophobicContact CB-CD1 4.5Å
147A81Confident65.2Low38 Ų3874.5 Ų74.531%0.31441%0.411SS..EExtended strand (participates in β ladder)trans-64135.6167.900000109.6Y126Y126-A147 WeakPolarHBondContact OH-CB 3.32Å
148V72.3Confident62.8Low3 Ų372.4 Ų72.42%0.01841%0.41CS..  trans-107.7114.1177.8172.90000108.2T78 K80 L82 L117 G150 F203 I205T78-V148 VanDerWaalsContact CG2-C 3.45Å; T78-V148 WeakPolarHBondContact CG2-O 3.22Å; K80-V148 HydrophobicContact CB-CB 3.78Å; K80-V148 HydrophobicContact CB-CG1 4.15Å; K80-V148 PolarHBondContact O-N 2.88Å; L82-V148 HydrophobicContact CB-CG2 3.57Å; L117-V148 HydrophobicContact CD1-CB 4.38Å; L117-V148 HydrophobicContact CD1-CG1 4.38Å; L117-V148 HydrophobicContact CD1-CG2 3.77Å; V148-G150 PolarHBondContact O-N 3.19Å; V148-F203 WeakPolarHBondContact CG1-O 3.41Å; V148-I205 HydrophobicContact CG2-CD1 4.39Å; V148-I205 HydrophobicContact CG2-CG1 3.89Å
149V61.8Low60.5Low35 Ų3578.2 Ų78.221%0.21244%0.442CS..  trans-60.6103.1177.1-171.40000109.9T78 Y151T78-V149 HydrophobicContact CG2-CB 4.28Å; T78-V149 HydrophobicContact CG2-CG2 4.24Å; V149-Y151 HydrophobicContact CB-CE2 4Å; V149-Y151 HydrophobicContact CG1-CD2 4.36Å; V149-Y151 HydrophobicContact CG1-CE1 4.25Å; V149-Y151 HydrophobicContact CG1-CE2 3.66Å; V149-Y151 PolarHBondContact O-N 2.92Å
150G49.5Very low58.3Low21 Ų2175.6 Ų75.622%0.21643%0.427CS..  trans-84.6104.117400000108.3G77 V148 T152G77-G150 PolarHBondContact O-N 3.49Å; V148-G150 PolarHBondContact O-N 3.19Å; G150-T152 PolarHBondContact O-N 3.46Å; G150-T152 VanDerWaalsContact O-N 3.09Å
151Y46.1Very low56.3Low63 Ų6374.8 Ų74.825%0.24741%0.412CS..  trans-70.2108.1172-65.2-90.9000108.6V149 L198 V200V149-Y151 HydrophobicContact CB-CE2 4Å; V149-Y151 HydrophobicContact CG1-CD2 4.36Å; V149-Y151 HydrophobicContact CG1-CE1 4.25Å; V149-Y151 HydrophobicContact CG1-CE2 3.66Å; V149-Y151 PolarHBondContact O-N 2.92Å; Y151-L198 HydrophobicContact CE1-CB 3.6Å; Y151-L198 HydrophobicContact CE1-CD1 3.66Å; Y151-L198 HydrophobicContact CE1-CG 3.68Å; Y151-L198 HydrophobicContact CE2-CB 4.37Å; Y151-L198 WeakPolarHBondContact OH-CB 3.45Å; Y151-L198 WeakPolarHBondContact OH-CD1 3.12Å; Y151-L198 VanDerWaalsContact OH-CG 3.26Å; Y151-L198 WeakPolarHBondContact OH-CG 3.39Å; Y151-V200 HydrophobicContact CD2-CG1 4.09Å; Y151-V200 HydrophobicContact CE2-CG1 3.34Å
152T34.8Very low54.4Low109 Ų10979 Ų7967%0.66942%0.424SS*.SBendtrans-60.5129.9155.248.80000107.7G150G150-T152 PolarHBondContact O-N 3.46Å; G150-T152 VanDerWaalsContact O-N 3.09Å
153E34.3Very low52.2Low181 Ų18179.6 Ų79.685%0.84643%0.429SS*.SBendtrans89.4-8.1163.7-57.7-175.5175.300122.5
154N32.8Very low50.1Low65 Ų6585.3 Ų85.335%0.34845%0.453SS..  trans-117.314.4178.7-72.4-35.1000116.6V156 Q157N154-V156 PolarHBondContact O-N 3.3Å; N154-Q157 PolarHBondContact O-N 2.89Å
155T34.7Very low48.3Very low115 Ų11582.2 Ų82.271%0.70644%0.437SS*.G310 helixtrans-67.6-16-178-52.20000114.2Q157T155-Q157 PolarHBondContact O-N 2.82Å; T155-Q157 VanDerWaalsContact O-N 3.16Å
156V35Very low46.4Very low126 Ų12682.5 Ų82.576%0.76445%0.446SS*.G310 helixtrans-64.2-17.9169.2-175.40000111.4N154N154-V156 PolarHBondContact O-N 3.3Å
157Q39.8Very low44.7Very low47 Ų4784.5 Ų84.522%0.2246%0.46CS..G310 helixtrans-110.423.6-173-59.6-169.5-21.200116.1N154 T155 N159 L160 S161N154-Q157 PolarHBondContact O-N 2.89Å; T155-Q157 PolarHBondContact O-N 2.82Å; T155-Q157 VanDerWaalsContact O-N 3.16Å; Q157-N159 PolarHBondContact O-N 3.37Å; Q157-L160 HydrophobicContact CB-CB 3.84Å; Q157-L160 HydrophobicContact CG-CB 3.78Å; Q157-L160 HydrophobicContact CG-CD1 4.33Å; Q157-L160 PolarHBondContact O-N 3.37Å; Q157-S161 WeakPolarHBondContact O-CA 3.17Å; Q157-S161 WeakPolarHBondContact O-CB 3.31Å; Q157-S161 PolarHBondContact O-N 3.16Å; Q157-S161 PolarHBondContact O-OG 2.78Å
158S38.3Very low43.6Very low79 Ų7984.1 Ų84.155%0.55245%0.454SS*.THydrogen-bonded Turntrans-65.8-25.417165.20000112.9
159N36.8Very low43.4Very low134 Ų13487.7 Ų87.772%0.71748%0.477SS*.THydrogen-bonded Turntrans-92.7-33.3170.4-64-29.2000112.5Q157Q157-N159 PolarHBondContact O-N 3.37Å
160L36.9Very low44.4Very low60 Ų6087.9 Ų87.931%0.31448%0.477SS..THydrogen-bonded Turntrans-82.5-24.8179.4-73.3155.5000113.6Q157 K162 Q163 F164Q157-L160 HydrophobicContact CB-CB 3.84Å; Q157-L160 HydrophobicContact CG-CB 3.78Å; Q157-L160 HydrophobicContact CG-CD1 4.33Å; Q157-L160 PolarHBondContact O-N 3.37Å; L160-K162 VanDerWaalsContact C-N 3.25Å; L160-K162 PolarHBondContact O-N 3.45Å; L160-Q163 CarbonylContact O-C 3.53Å; L160-Q163 WeakPolarHBondContact O-CA 3.27Å; L160-Q163 PolarHBondContact O-N 3.34Å; L160-F164 HydrophobicContact CB-CD2 3.86Å; L160-F164 HydrophobicContact CB-CE2 4.11Å; L160-F164 HydrophobicContact CD2-CD2 4.01Å; L160-F164 HydrophobicContact CD2-CE2 3.6Å; L160-F164 HydrophobicContact CG-CE2 4.31Å; L160-F164 PolarHBondContact O-N 2.81Å
161S40Very low46.1Very low47 Ų4787 Ų8733%0.32947%0.468SS..THydrogen-bonded Turntrans-72.1-17.9175.861.90000112.6Q157 Q163 V165Q157-S161 WeakPolarHBondContact O-CA 3.17Å; Q157-S161 WeakPolarHBondContact O-CB 3.31Å; Q157-S161 PolarHBondContact O-N 3.16Å; Q157-S161 PolarHBondContact O-OG 2.78Å; S161-Q163 VanDerWaalsContact C-N 3.33Å; S161-V165 WeakPolarHBondContact O-CB 2.93Å; S161-V165 WeakPolarHBondContact O-CG2 3.13Å
162K41.3Very low48Very low165 Ų16584 Ų8472%0.71746%0.456SS*.THydrogen-bonded Turntrans-80.6-18.1165.2-76.2178.8-177.5166.60112.7L160 T166L160-K162 VanDerWaalsContact C-N 3.25Å; L160-K162 PolarHBondContact O-N 3.45Å; K162-T166 WeakPolarHBondContact O-CG2 3.4Å; K162-T166 PolarHBondContact O-OG1 3.4Å
163Q38.1Very low50.6Low132 Ų13280.2 Ų80.262%0.61743%0.432SS*.THydrogen-bonded Turntrans-105.5-44.1-169.5-143.9173.82.600112.5L160 S161 T166L160-Q163 CarbonylContact O-C 3.53Å; L160-Q163 WeakPolarHBondContact O-CA 3.27Å; L160-Q163 PolarHBondContact O-N 3.34Å; S161-Q163 VanDerWaalsContact C-N 3.33Å; Q163-T166 PolarHBondContact O-OG1 2.93Å
164F39.4Very low53.2Low128 Ų12871.6 Ų71.656%0.56139%0.391SS*.SBendtrans-67.2-41.1172.2-85.3-82.6000111.8L160 T166 N167 S168L160-F164 HydrophobicContact CB-CD2 3.86Å; L160-F164 HydrophobicContact CB-CE2 4.11Å; L160-F164 HydrophobicContact CD2-CD2 4.01Å; L160-F164 HydrophobicContact CD2-CE2 3.6Å; L160-F164 HydrophobicContact CG-CE2 4.31Å; L160-F164 PolarHBondContact O-N 2.81Å; F164-T166 PolarHBondContact O-N 3.35Å; F164-N167 PolarHBondContact O-N 3.13Å; F164-S168 PolarHBondContact O-N 3.45Å; F164-S168 PolarHBondContact O-OG 2.87Å
165V49.6Very low55.9Low15 Ų1575 Ų759%0.09140%0.399CS..THydrogen-bonded Turntrans-76-14.4-172.8-168.40000111.3S161 T211 Q242S161-V165 WeakPolarHBondContact O-CB 2.93Å; S161-V165 WeakPolarHBondContact O-CG2 3.13Å; V165-T211 HydrophobicContact CG1-CG2 3.66Å; V165-Q242 VanDerWaalsContact O-CG 3.27Å; V165-Q242 WeakPolarHBondContact O-CG 3.19Å; V165-Q242 PolarHBondContact O-NE2 2.76Å
166T47.2Very low58.5Low75 Ų7572.5 Ų72.546%0.4638%0.382SS..THydrogen-bonded Turntrans-82.3-14.5175.546.20000114.8K162 Q163 F164K162-T166 WeakPolarHBondContact O-CG2 3.4Å; K162-T166 PolarHBondContact O-OG1 3.4Å; Q163-T166 PolarHBondContact O-OG1 2.93Å; F164-T166 PolarHBondContact O-N 3.35Å
167N49.5Very low61.1Low137 Ų13766.6 Ų66.673%0.73335%0.346SS*.THydrogen-bonded Turntrans-126-1.7-171.2-74.31.5000114.6F164 P169F164-N167 PolarHBondContact O-N 3.13Å; N167-P169 WeakPolarHBondContact O-CD 3.47Å
168S58.4Low63.3Low29 Ų2964.6 Ų64.620%0.20334%0.337CS..  trans-81.7116.5175.939.10000110.7F164 N170 C171F164-S168 PolarHBondContact O-N 3.45Å; F164-S168 PolarHBondContact O-OG 2.87Å; S168-N170 PolarHBondContact O-N 2.68Å; S168-N170 VanDerWaalsContact O-N 3.1Å; S168-C171 PolarHBondContact O-N 2.99Å; S168-C171 PolarHBondContact OG-SG 2.79Å
169P67.1Low65.5Low78 Ų7867.8 Ų67.851%0.50634%0.338SS..THydrogen-bonded Turntrans-65.7-14.8-176.425.8-33.7000113.5N167N167-P169 WeakPolarHBondContact O-CD 3.47Å
170N82.1Confident67.6Low39 Ų3965.6 Ų65.621%0.20933%0.333CS..THydrogen-bonded Turntrans-108.327.1-173.7-61.3-4.9000113.5S168 M214 K215S168-N170 PolarHBondContact O-N 2.68Å; S168-N170 VanDerWaalsContact O-N 3.1Å; N170-M214 HydrophobicContact CB-CB 4.45Å; N170-M214 WeakPolarHBondContact CB-O 3.33Å; N170-M214 PolarHBondContact O-N 2.73Å; N170-K215 PolarHBondContact ND2-O 2.89Å; N170-K215 VanDerWaalsContact ND2-O 3.15Å
171C84.9Confident69.9Low3 Ų363 Ų632%0.0232%0.319CS..EExtended strand (participates in β ladder)trans-104.5133.9178.7-77.90000113.7S168 T211 L212 Q242S168-C171 PolarHBondContact O-N 2.99Å; S168-C171 PolarHBondContact OG-SG 2.79Å; C171-T211 HydrophobicContact CB-CG2 3.87Å; C171-L212 WeakPolarHBondContact CA-O 3.38Å; C171-Q242 HydrophobicContact CB-CB 4.06Å; C171-Q242 VanDerWaalsContact O-CB 3.27Å; C171-Q242 WeakPolarHBondContact O-CB 3.4Å; C171-Q242 PolarHBondContact O-N 2.82Å
172L87.1Confident72Confident0 Ų062 Ų620%031%0.312CS..EExtended strand (participates in β ladder)trans-112.9125.3174.8-167.263.1000110.7I174 T211 L212 L220 V223 I224 A239 L241L172-I174 HydrophobicContact CD2-CD1 4.33Å; L172-I174 HydrophobicContact CD2-CG1 4.16Å; L172-I174 HydrophobicContact CG-CG1 4.27Å; L172-T211 CarbonylContact O-C 3.55Å; L172-T211 VanDerWaalsContact O-CA 3.31Å; L172-T211 WeakPolarHBondContact O-CA 3.44Å; L172-L212 HydrophobicContact CB-CB 4.33Å; L172-L212 PolarHBondContact N-O 2.76Å; L172-L212 PolarHBondContact O-N 3.24Å; L172-L220 HydrophobicContact CB-CD1 3.64Å; L172-L220 HydrophobicContact CD1-CD1 4.22Å; L172-L220 HydrophobicContact CG-CD1 4.36Å; L172-V223 HydrophobicContact CD2-CB 4.42Å; L172-V223 HydrophobicContact CD2-CG1 3.64Å; L172-I224 HydrophobicContact CD1-CD1 4.05Å; L172-I224 HydrophobicContact CD1-CG1 3.56Å; L172-I224 HydrophobicContact CD2-CG1 4.14Å; L172-A239 HydrophobicContact CD1-CB 4.1Å; L172-A239 HydrophobicContact CD2-CB 4.07Å; L172-A239 HydrophobicContact CG-CB 4.24Å; L172-L241 HydrophobicContact CD1-CD1 4.44Å
173I88.7Confident74Confident30 Ų3055.9 Ų55.915%0.15429%0.291CS..EExtended strand (participates in β ladder)trans-91.3117.8170.2-60.1163.4000108.9R175 C210 A239 N240 Q242I173-R175 HydrophobicContact CG2-CG 3.98Å; I173-C210 CarbonylContact C-O 3.56Å; I173-C210 WeakPolarHBondContact CA-O 3.38Å; I173-A239 CarbonylContact O-C 3.52Å; I173-A239 WeakPolarHBondContact O-CA 3.41Å; I173-N240 PolarHBondContact N-O 3.1Å; I173-N240 PolarHBondContact O-N 3.29Å; I173-Q242 HydrophobicContact CD1-CB 4.1Å; I173-Q242 VanDerWaalsContact CD1-CD 3.4Å; I173-Q242 HydrophobicContact CD1-CG 3.78Å; I173-Q242 HydrophobicContact CG1-CB 4.11Å; I173-Q242 HydrophobicContact CG1-CG 4.16Å
174I89.5Confident76.3Confident0 Ų053.1 Ų53.10%028%0.284CS..EExtended strand (participates in β ladder)trans-98.9137.7171-58.6-170.1000109.9L172 L177 F190 S209 C210 L212 V237 R238L172-I174 HydrophobicContact CD2-CD1 4.33Å; L172-I174 HydrophobicContact CD2-CG1 4.16Å; L172-I174 HydrophobicContact CG-CG1 4.27Å; I174-L177 HydrophobicContact CB-CD1 4.42Å; I174-L177 HydrophobicContact CG2-CD1 3.89Å; I174-L177 HydrophobicContact CG2-CD2 3.87Å; I174-L177 HydrophobicContact CG2-CG 3.89Å; I174-F190 HydrophobicContact CD1-CD1 4.23Å; I174-F190 HydrophobicContact CD1-CD2 4.01Å; I174-F190 HydrophobicContact CD1-CE1 3.82Å; I174-F190 HydrophobicContact CD1-CE2 3.57Å; I174-F190 HydrophobicContact CD1-CG 4.32Å; I174-F190 HydrophobicContact CD1-CZ 3.47Å; I174-F190 VanDerWaalsContact CD1-CZ 3.47Å; I174-S209 CarbonylContact O-C 3.13Å; I174-S209 WeakPolarHBondContact O-CA 3.46Å; I174-S209 VanDerWaalsContact O-CB 3.29Å; I174-S209 WeakPolarHBondContact O-CB 3.26Å; I174-C210 PolarHBondContact N-O 3.22Å; I174-C210 PolarHBondContact O-N 3.36Å; I174-L212 HydrophobicContact CD1-CD1 3.32Å; I174-L212 HydrophobicContact CD1-CG 3.88Å; I174-L212 HydrophobicContact CG1-CD1 4.15Å; I174-L212 HydrophobicContact CG1-CG 4.29Å; I174-V237 HydrophobicContact CG2-CG1 3.34Å; I174-R238 CarbonylContact C-O 3.57Å; I174-R238 WeakPolarHBondContact CA-O 3.22Å
175R90.1Very high78.6Confident137 Ų13750.5 Ų50.552%0.51727%0.273SS..EExtended strand (participates in β ladder)trans-132.2167.8179.7-59.8-173175.3-168.5-0.7111.2I173 L177 G208 R238I173-R175 HydrophobicContact CG2-CG 3.98Å; R175-L177 VanDerWaalsContact C-N 3.32Å; R175-G208 CarbonylContact C-O 3.51Å; R175-R238 HydrophobicContact CB-CB 4.32Å; R175-R238 PolarHBondContact N-O 3.2Å; R175-R238 PolarHBondContact O-N 2.91Å
176N88.2Confident80.5Confident62 Ų6249.8 Ų49.833%0.33227%0.269SS..SBendtrans66.932.2-179.3-164.740.6000113.3G208 R235 L236 R238N176-G208 PolarHBondContact N-O 3.03Å; N176-R235 PolarHBondContact OD1-NH2 3.21Å; N176-L236 PolarHBondContact ND2-O 2.78Å; N176-R238 HydrophobicContact CB-CG 4.41Å
177L89.7Confident82.5Confident1 Ų150.8 Ų50.81%0.00527%0.267CS..  trans-79.7144.8174.6-64.7173.2000110.6I174 R175 Y179 L181 I186 F206 G208 C210 I232 V237I174-L177 HydrophobicContact CB-CD1 4.42Å; I174-L177 HydrophobicContact CG2-CD1 3.89Å; I174-L177 HydrophobicContact CG2-CD2 3.87Å; I174-L177 HydrophobicContact CG2-CG 3.89Å; R175-L177 VanDerWaalsContact C-N 3.32Å; L177-Y179 PolarHBondContact O-N 3.32Å; L177-L181 HydrophobicContact CB-CD1 4.05Å; L177-L181 HydrophobicContact CD2-CD1 4.25Å; L177-I186 HydrophobicContact CD1-CD1 4.01Å; L177-I186 HydrophobicContact CD1-CG1 4.49Å; L177-F206 HydrophobicContact CB-CE1 3.98Å; L177-F206 HydrophobicContact CB-CZ 4Å; L177-F206 HydrophobicContact CD1-CZ 3.96Å; L177-G208 PolarHBondContact N-O 3.17Å; L177-G208 VanDerWaalsContact O-CA 3.31Å; L177-G208 WeakPolarHBondContact O-CA 3.48Å; L177-C210 HydrophobicContact CD1-CB 4.25Å; L177-C210 VanDerWaalsContact CD1-SG 3.57Å; L177-I232 HydrophobicContact CD2-CD1 3.8Å; L177-V237 HydrophobicContact CD2-CG2 4.26Å
178P85.6Confident84.4Confident6 Ų651.4 Ų51.44%0.03927%0.265CS..  trans-49.3134.1167.6-27.630.2000112.7S180 L181 F206 I232 N233P178-S180 PolarHBondContact O-N 3.16Å; P178-L181 HydrophobicContact CB-CD1 3.98Å; P178-L181 HydrophobicContact CB-CG 4.16Å; P178-L181 VanDerWaalsContact CD-CD1 3.48Å; P178-L181 HydrophobicContact CG-CD1 3.86Å; P178-L181 HydrophobicContact CG-CG 4.43Å; P178-L181 WeakPolarHBondContact O-CB 3.31Å; P178-L181 PolarHBondContact O-N 3.4Å; P178-F206 WeakPolarHBondContact O-CE1 3.05Å; P178-I232 HydrophobicContact CG-CG2 4.16Å; P178-I232 WeakPolarHBondContact CG-O 3.18Å; P178-N233 HydrophobicContact CB-CB 4.47Å; P178-N233 HydrophobicContact CG-CB 3.77Å
179Y85.2Confident85.8Confident145 Ų14553 Ų5357%0.56927%0.269SS*.THydrogen-bonded Turntrans-67.3-17.7-177.8-61.2-67000113.9L177 L181 F206 N207L177-Y179 PolarHBondContact O-N 3.32Å; Y179-L181 VanDerWaalsContact C-N 3.34Å; Y179-F206 WeakPolarHBondContact CD1-O 3.04Å; Y179-N207 WeakPolarHBondContact CE1-O 3.21Å
180S81.6Confident86.9Confident88 Ų8849.3 Ų49.362%0.61525%0.245SC*.THydrogen-bonded Turntrans-81.7-10.5177.758.40000113.8P178P178-S180 PolarHBondContact O-N 3.16Å
181L84.4Confident87.2Confident6 Ų652.2 Ų52.23%0.03127%0.266CS..  trans-68.4136-176-85.5162.7000112.1L177 P178 Y179 E185 I186 F206 I232L177-L181 HydrophobicContact CB-CD1 4.05Å; L177-L181 HydrophobicContact CD2-CD1 4.25Å; P178-L181 HydrophobicContact CB-CD1 3.98Å; P178-L181 HydrophobicContact CB-CG 4.16Å; P178-L181 VanDerWaalsContact CD-CD1 3.48Å; P178-L181 HydrophobicContact CG-CD1 3.86Å; P178-L181 HydrophobicContact CG-CG 4.43Å; P178-L181 WeakPolarHBondContact O-CB 3.31Å; P178-L181 PolarHBondContact O-N 3.4Å; Y179-L181 VanDerWaalsContact C-N 3.34Å; L181-E185 WeakPolarHBondContact CA-OE2 3.06Å; L181-E185 HydrophobicContact CD2-CB 3.58Å; L181-I186 HydrophobicContact CB-CD1 3.96Å; L181-I186 HydrophobicContact CB-CG1 4.01Å; L181-I186 HydrophobicContact CD1-CG1 4.22Å; L181-I186 HydrophobicContact CD2-CG1 4.29Å; L181-I186 HydrophobicContact CG-CG1 4.42Å; L181-F206 HydrophobicContact CB-CE1 4.26Å; L181-I232 HydrophobicContact CD1-CG2 3.85Å; L181-I232 HydrophobicContact CD2-CG2 4.36Å
182T84.1Confident87.2Confident27 Ų2756.4 Ų56.417%0.16629%0.287CS..  trans-94.1166.117359.30000111.6T184 E185 I186T182-T184 PolarHBondContact O-N 3.18Å; T182-T184 PolarHBondContact OG1-OG1 3.2Å; T182-E185 PolarHBondContact N-OE2 2.83Å; T182-E185 PolarHBondContact O-N 3.04Å; T182-E185 VanDerWaalsContact OG1-CG 3.22Å; T182-E185 WeakPolarHBondContact OG1-CG 3.38Å; T182-E185 PolarHBondContact OG1-N 2.91Å; T182-E185 PolarHBondContact OG1-OE2 3.35Å; T182-I186 WeakPolarHBondContact O-CG1 3.36Å; T182-I186 PolarHBondContact O-N 3.49Å
183A83.9Confident87.2Confident35 Ų3556.5 Ų56.529%0.28929%0.287SS..Hα-helixtrans-63.7-33.6178.400000111.9K187 L198A183-K187 WeakPolarHBondContact O-CB 3.08Å; A183-K187 PolarHBondContact O-N 2.97Å; A183-L198 HydrophobicContact CB-CD1 3.72Å; A183-L198 HydrophobicContact CB-CG 4.12Å
184T85.6Confident87.1Confident74 Ų7459.4 Ų59.445%0.45430%0.303SS..Hα-helixtrans-67.5-50177.945.90000111.3T182 I186 K187 E188T182-T184 PolarHBondContact O-N 3.18Å; T182-T184 PolarHBondContact OG1-OG1 3.2Å; T184-I186 VanDerWaalsContact C-N 3.28Å; T184-I186 PolarHBondContact O-N 2.85Å; T184-K187 CarbonylContact O-C 3.48Å; T184-K187 WeakPolarHBondContact O-CA 3.07Å; T184-K187 WeakPolarHBondContact O-CB 3.45Å; T184-K187 PolarHBondContact O-N 3.48Å; T184-E188 WeakPolarHBondContact O-CG 3.47Å; T184-E188 PolarHBondContact O-N 3.45Å
185E87.7Confident86.9Confident74 Ų7465.5 Ų65.535%0.34633%0.326SS..Hα-helixtrans-62-37176.9-68.4164.7153.800111.6L181 T182 K187 E188 H189L181-E185 WeakPolarHBondContact CA-OE2 3.06Å; L181-E185 HydrophobicContact CD2-CB 3.58Å; T182-E185 PolarHBondContact N-OE2 2.83Å; T182-E185 PolarHBondContact O-N 3.04Å; T182-E185 VanDerWaalsContact OG1-CG 3.22Å; T182-E185 WeakPolarHBondContact OG1-CG 3.38Å; T182-E185 PolarHBondContact OG1-N 2.91Å; T182-E185 PolarHBondContact OG1-OE2 3.35Å; E185-K187 VanDerWaalsContact C-N 3.32Å; E185-K187 PolarHBondContact O-N 2.95Å; E185-E188 WeakPolarHBondContact O-CB 3.29Å; E185-E188 PolarHBondContact O-N 3.41Å; E185-H189 PolarHBondContact O-CD2 2.85Å; E185-H189 PolarHBondContact O-N 3.18Å; E185-H189 VanDerWaalsContact O-N 3.08Å
186I89.8Confident86.8Confident0 Ų060.1 Ų60.10%031%0.308CS..Hα-helixtrans-65.8-38.1174.3-70.6166.6000110.8L177 L181 T182 T184 E188 H189 F190 V196 L198 F206 L212L177-I186 HydrophobicContact CD1-CD1 4.01Å; L177-I186 HydrophobicContact CD1-CG1 4.49Å; L181-I186 HydrophobicContact CB-CD1 3.96Å; L181-I186 HydrophobicContact CB-CG1 4.01Å; L181-I186 HydrophobicContact CD1-CG1 4.22Å; L181-I186 HydrophobicContact CD2-CG1 4.29Å; L181-I186 HydrophobicContact CG-CG1 4.42Å; T182-I186 WeakPolarHBondContact O-CG1 3.36Å; T182-I186 PolarHBondContact O-N 3.49Å; T184-I186 VanDerWaalsContact C-N 3.28Å; T184-I186 PolarHBondContact O-N 2.85Å; I186-E188 VanDerWaalsContact C-N 3.33Å; I186-H189 PolarHBondContact O-N 2.99Å; I186-F190 HydrophobicContact CG2-CD2 4.08Å; I186-F190 WeakPolarHBondContact O-CD2 3.31Å; I186-F190 PolarHBondContact O-N 2.97Å; I186-V196 HydrophobicContact CB-CG1 4.21Å; I186-V196 HydrophobicContact CG2-CG1 3.6Å; I186-V196 HydrophobicContact CG2-CG2 4.42Å; I186-L198 HydrophobicContact CD1-CD1 4.33Å; I186-L198 HydrophobicContact CD1-CD2 3.32Å; I186-F206 HydrophobicContact CD1-CE1 4.39Å; I186-F206 HydrophobicContact CD1-CE2 4.47Å; I186-F206 HydrophobicContact CD1-CZ 3.88Å; I186-L212 HydrophobicContact CG2-CD2 4.2Å
187K88.7Confident86.7Confident95 Ų9558.7 Ų58.741%0.41330%0.3SS..Hα-helixtrans-69.1-31.4176.6-165.6157.1-178169.20112.2A183 T184 E185 F190 P191 A193 N194 V196A183-K187 WeakPolarHBondContact O-CB 3.08Å; A183-K187 PolarHBondContact O-N 2.97Å; T184-K187 CarbonylContact O-C 3.48Å; T184-K187 WeakPolarHBondContact O-CA 3.07Å; T184-K187 WeakPolarHBondContact O-CB 3.45Å; T184-K187 PolarHBondContact O-N 3.48Å; E185-K187 VanDerWaalsContact C-N 3.32Å; E185-K187 PolarHBondContact O-N 2.95Å; K187-F190 CarbonylContact O-C 3.59Å; K187-F190 PolarHBondContact O-N 2.99Å; K187-P191 WeakPolarHBondContact O-CA 3.22Å; K187-A193 WeakPolarHBondContact CE-O 3.15Å; K187-N194 PolarHBondContact NZ-O 3.41Å; K187-V196 HydrophobicContact CB-CG2 4.12Å; K187-V196 HydrophobicContact CD-CG2 4.43Å; K187-V196 HydrophobicContact CG-CG2 4.38Å
188E89.4Confident86.6Confident150 Ų15059.6 Ų59.670%0.70130%0.304SS*.Hα-helixtrans-65.1-39.4170.5-70.1170.7-174.600111.9T184 E185 I186 F190T184-E188 WeakPolarHBondContact O-CG 3.47Å; T184-E188 PolarHBondContact O-N 3.45Å; E185-E188 WeakPolarHBondContact O-CB 3.29Å; E185-E188 PolarHBondContact O-N 3.41Å; I186-E188 VanDerWaalsContact C-N 3.33Å; E188-F190 VanDerWaalsContact C-N 3.34Å
189H88.7Confident86.5Confident62 Ų6260.2 Ų60.229%0.28731%0.312SS..Hα-helixtrans-72.6-25.4173.9-72.3-58.9000113.5E185 I186 K230 I232E185-H189 PolarHBondContact O-CD2 2.85Å; E185-H189 PolarHBondContact O-N 3.18Å; E185-H189 VanDerWaalsContact O-N 3.08Å; I186-H189 PolarHBondContact O-N 2.99Å; H189-K230 PolarHBondContact O-NZ 2.91Å; H189-I232 HydrophobicContact CB-CD1 4.19Å
190F89.4Confident86.3Confident2 Ų256.1 Ų56.11%0.00930%0.302CS..  trans-131.671-178.7-58.2-73.1000110.6I174 I186 K187 E188 M192 A193 L212 V223 C227 K230 I232 V237I174-F190 HydrophobicContact CD1-CD1 4.23Å; I174-F190 HydrophobicContact CD1-CD2 4.01Å; I174-F190 HydrophobicContact CD1-CE1 3.82Å; I174-F190 HydrophobicContact CD1-CE2 3.57Å; I174-F190 HydrophobicContact CD1-CG 4.32Å; I174-F190 HydrophobicContact CD1-CZ 3.47Å; I174-F190 VanDerWaalsContact CD1-CZ 3.47Å; I186-F190 HydrophobicContact CG2-CD2 4.08Å; I186-F190 WeakPolarHBondContact O-CD2 3.31Å; I186-F190 PolarHBondContact O-N 2.97Å; K187-F190 CarbonylContact O-C 3.59Å; K187-F190 PolarHBondContact O-N 2.99Å; E188-F190 VanDerWaalsContact C-N 3.34Å; F190-M192 PolarHBondContact O-N 3.43Å; F190-A193 HydrophobicContact CB-CB 4.35Å; F190-A193 VanDerWaalsContact O-CB 3.28Å; F190-A193 WeakPolarHBondContact O-CB 3.46Å; F190-A193 PolarHBondContact O-N 2.93Å; F190-L212 HydrophobicContact CB-CD1 3.71Å; F190-L212 HydrophobicContact CB-CD2 4.48Å; F190-L212 HydrophobicContact CD1-CD1 4.04Å; F190-L212 HydrophobicContact CD2-CD1 4Å; F190-L212 HydrophobicContact CG-CD1 3.63Å; F190-V223 HydrophobicContact CD1-CG1 3.88Å; F190-V223 HydrophobicContact CE1-CG1 4.25Å; F190-C227 VanDerWaalsContact CE1-SG 3.55Å; F190-K230 HydrophobicContact CE1-CD 3.95Å; F190-K230 HydrophobicContact CZ-CD 4.06Å; F190-I232 HydrophobicContact CE2-CD1 4.16Å; F190-I232 HydrophobicContact CZ-CD1 4.36Å; F190-V237 HydrophobicContact CZ-CG1 4.25Å
191P88.5Confident86.3Confident99 Ų9954.9 Ų54.964%0.64329%0.288SS*.THydrogen-bonded Turntrans-66.7-25.6-173.425.7-34.2000113K187 A193K187-P191 WeakPolarHBondContact O-CA 3.22Å; P191-A193 PolarHBondContact O-N 2.75Å
192M86.1Confident85.9Confident91 Ų9162.4 Ų62.445%0.44832%0.321SS..THydrogen-bonded Turntrans-69.5-12.6175.3-67.1175.5172.700113.2F190 N194 M214 V222 V223F190-M192 PolarHBondContact O-N 3.43Å; M192-N194 PolarHBondContact O-N 3.35Å; M192-M214 HydrophobicContact CB-CE 3.54Å; M192-M214 WeakPolarHBondContact O-CE 3.48Å; M192-V222 HydrophobicContact CE-CG1 4.34Å; M192-V222 HydrophobicContact SD-CG1 4.35Å; M192-V223 HydrophobicContact CB-CG2 4.21Å; M192-V223 HydrophobicContact SD-CG2 4.05Å
193A87.1Confident85.1Confident2 Ų263.2 Ų63.22%0.01732%0.322CS..EExtended strand (participates in β ladder)trans-75121176.900000110.9K187 F190 P191 V196 L212 M214K187-A193 WeakPolarHBondContact CE-O 3.15Å; F190-A193 HydrophobicContact CB-CB 4.35Å; F190-A193 VanDerWaalsContact O-CB 3.28Å; F190-A193 WeakPolarHBondContact O-CB 3.46Å; F190-A193 PolarHBondContact O-N 2.93Å; P191-A193 PolarHBondContact O-N 2.75Å; A193-V196 HydrophobicContact CB-CG2 4.27Å; A193-L212 HydrophobicContact CB-CB 4.06Å; A193-L212 HydrophobicContact CB-CD1 4.28Å; A193-L212 HydrophobicContact CB-CD2 3.97Å; A193-L212 HydrophobicContact CB-CG 4.34Å; A193-M214 HydrophobicContact CB-SD 4.16Å
194N86.3Confident84.6Confident91 Ų9162.5 Ų62.549%0.48732%0.318SS..EExtended strand (participates in β ladder)trans-64.8-51.1175.1-172.112.2000109.9K187 M192 E213K187-N194 PolarHBondContact NZ-O 3.41Å; M192-N194 PolarHBondContact O-N 3.35Å; N194-E213 WeakPolarHBondContact CB-O 3.46Å; N194-E213 PolarHBondContact N-O 2.61Å
195R84.6Confident84.2Confident128 Ų12860 Ų6048%0.48330%0.302SS..EExtended strand (participates in β ladder)trans-128.6147.3176.6-77.8178.1158.8-166.2-5.9112.2E213R195-E213 HydrophobicContact CB-CB 4.07Å; R195-E213 WeakPolarHBondContact CD-OE2 3.44Å; R195-E213 PolarHBondContact N-O 3.48Å; R195-E213 PolarHBondContact O-N 3.3Å
196V88Confident84.1Confident24 Ų2456.7 Ų56.715%0.14529%0.286CS..EExtended strand (participates in β ladder)trans-120.1114.2177-178.70000108.6I186 K187 A193 L198 C210 L212I186-V196 HydrophobicContact CB-CG1 4.21Å; I186-V196 HydrophobicContact CG2-CG1 3.6Å; I186-V196 HydrophobicContact CG2-CG2 4.42Å; K187-V196 HydrophobicContact CB-CG2 4.12Å; K187-V196 HydrophobicContact CD-CG2 4.43Å; K187-V196 HydrophobicContact CG-CG2 4.38Å; A193-V196 HydrophobicContact CB-CG2 4.27Å; V196-L198 HydrophobicContact CG1-CD2 3.66Å; V196-L198 HydrophobicContact CG1-CG 4.44Å; V196-C210 HydrophobicContact CG1-CB 4.38Å; V196-L212 HydrophobicContact CB-CD2 4.38Å; V196-L212 HydrophobicContact CG1-CD2 4.11Å; V196-L212 HydrophobicContact CG2-CD2 3.84Å
197H86.7Confident84Confident33 Ų3360.1 Ų60.115%0.15330%0.304CS..EExtended strand (participates in β ladder)trans-102.9110.5174.8-66.1-72.2000109.7C210 T211 E213H197-C210 CarbonylContact O-C 3.56Å; H197-C210 WeakPolarHBondContact O-CA 3.45Å; H197-C210 WeakPolarHBondContact O-CB 3.45Å; H197-T211 PolarHBondContact N-O 2.77Å; H197-T211 PolarHBondContact O-N 3.08Å; H197-E213 IonicContact NE2-OE2 3.95Å
198L86.2Confident83.9Confident19 Ų1955.8 Ų55.810%0.09929%0.287CS..EExtended strand (participates in β ladder)trans-80.7132.5178.9-61.5-165.5000111.1Y151 A183 I186 V196 V200 F206 C210Y151-L198 HydrophobicContact CE1-CB 3.6Å; Y151-L198 HydrophobicContact CE1-CD1 3.66Å; Y151-L198 HydrophobicContact CE1-CG 3.68Å; Y151-L198 HydrophobicContact CE2-CB 4.37Å; Y151-L198 WeakPolarHBondContact OH-CB 3.45Å; Y151-L198 WeakPolarHBondContact OH-CD1 3.12Å; Y151-L198 VanDerWaalsContact OH-CG 3.26Å; Y151-L198 WeakPolarHBondContact OH-CG 3.39Å; A183-L198 HydrophobicContact CB-CD1 3.72Å; A183-L198 HydrophobicContact CB-CG 4.12Å; I186-L198 HydrophobicContact CD1-CD1 4.33Å; I186-L198 HydrophobicContact CD1-CD2 3.32Å; V196-L198 HydrophobicContact CG1-CD2 3.66Å; V196-L198 HydrophobicContact CG1-CG 4.44Å; L198-V200 PolarHBondContact O-N 3.03Å; L198-F206 HydrophobicContact CB-CD2 3.9Å; L198-F206 HydrophobicContact CB-CE2 3.94Å; L198-F206 HydrophobicContact CD1-CD2 4.35Å; L198-F206 HydrophobicContact CD1-CE2 4.41Å; L198-F206 HydrophobicContact CD2-CD2 4.46Å; L198-F206 HydrophobicContact CD2-CE2 3.82Å; L198-F206 HydrophobicContact CD2-CZ 4.35Å; L198-F206 HydrophobicContact CG-CD2 4.45Å; L198-F206 HydrophobicContact CG-CE2 4.27Å; L198-C210 HydrophobicContact CD2-CB 3.55Å
199G84.2Confident83.9Confident19 Ų1949.9 Ų49.920%0.19626%0.262CS..EExtended strand (participates in β ladder)trans-73.1111.1172.100000109.4F206 N207 S209G199-F206 WeakPolarHBondContact O-CD2 3.47Å; G199-N207 PolarHBondContact O-N 2.92Å; G199-N207 PolarHBondContact O-OD1 2.77Å; G199-S209 WeakPolarHBondContact CA-O 3.3Å; G199-S209 PolarHBondContact N-O 2.96Å
200V81.5Confident83.9Confident60 Ų6047 Ų4736%0.36425%0.249SC..EExtended strand (participates in β ladder)trans-106.8151.5174.1-68.90000111.6Y151 L198 G204 I205Y151-V200 HydrophobicContact CD2-CG1 4.09Å; Y151-V200 HydrophobicContact CE2-CG1 3.34Å; L198-V200 PolarHBondContact O-N 3.03Å; V200-G204 WeakPolarHBondContact CG1-O 3.07Å; V200-I205 CarbonylContact C-O 3.6Å; V200-I205 VanDerWaalsContact CA-O 3.31Å; V200-I205 WeakPolarHBondContact CA-O 3.2Å
201N80.9Confident84Confident61 Ų6147.9 Ų47.933%0.32625%0.254SS..  trans-78179.9168.772.811.9000111F203 G204 I205N201-F203 PolarHBondContact O-N 3.24Å; N201-F203 VanDerWaalsContact OD1-CA 3.32Å; N201-F203 WeakPolarHBondContact OD1-CA 3.33Å; N201-F203 WeakPolarHBondContact OD1-CB 2.76Å; N201-F203 PolarHBondContact OD1-N 3.37Å; N201-G204 PolarHBondContact O-N 2.82Å; N201-G204 PolarHBondContact OD1-N 2.98Å; N201-I205 PolarHBondContact N-O 3.03Å; N201-I205 PolarHBondContact OD1-N 3.36Å; N201-I205 PolarHBondContact OD1-O 2.95Å
202K76.3Confident84Confident165 Ų16543.1 Ų43.172%0.71722%0.224SC*.THydrogen-bonded Turntrans-61.3-7.6177.164.7-178.2177.11780115.4
203F67.8Low84.1Confident44 Ų4441.8 Ų41.819%0.19322%0.216CC..THydrogen-bonded Turntrans-1095.2177.6-56.5-75.5000112.1L82 V148 N201 I205L82-F203 HydrophobicContact CD1-CB 4.49Å; L82-F203 HydrophobicContact CD1-CD1 4.09Å; L82-F203 HydrophobicContact CD1-CG 4.43Å; L82-F203 HydrophobicContact CD2-CB 4.21Å; L82-F203 HydrophobicContact CD2-CG 4.3Å; V148-F203 WeakPolarHBondContact CG1-O 3.41Å; N201-F203 PolarHBondContact O-N 3.24Å; N201-F203 VanDerWaalsContact OD1-CA 3.32Å; N201-F203 WeakPolarHBondContact OD1-CA 3.33Å; N201-F203 WeakPolarHBondContact OD1-CB 2.76Å; N201-F203 PolarHBondContact OD1-N 3.37Å; F203-I205 VanDerWaalsContact C-N 3.29Å; F203-I205 HydrophobicContact CB-CG1 4.5Å; F203-I205 PolarHBondContact O-N 3Å
204G73.5Confident84Confident19 Ų1941.9 Ų41.920%0.19622%0.217CC..SBendtrans79.35.3-177.200000114.6V200 N201V200-G204 WeakPolarHBondContact CG1-O 3.07Å; N201-G204 PolarHBondContact O-N 2.82Å; N201-G204 PolarHBondContact OD1-N 2.98Å
205I76.3Confident84Confident23 Ų2345.1 Ų45.112%0.11823%0.226CC..  trans-83.5134.7179-59.8172.5000109.3L82 Q146 V148 V200 N201 F203 N207L82-I205 HydrophobicContact CB-CD1 4.23Å; L82-I205 HydrophobicContact CD2-CD1 3.32Å; L82-I205 HydrophobicContact CD2-CG1 4.49Å; L82-I205 HydrophobicContact CG-CD1 4.39Å; Q146-I205 HydrophobicContact CB-CD1 4.5Å; V148-I205 HydrophobicContact CG2-CD1 4.39Å; V148-I205 HydrophobicContact CG2-CG1 3.89Å; V200-I205 CarbonylContact C-O 3.6Å; V200-I205 VanDerWaalsContact CA-O 3.31Å; V200-I205 WeakPolarHBondContact CA-O 3.2Å; N201-I205 PolarHBondContact N-O 3.03Å; N201-I205 PolarHBondContact OD1-N 3.36Å; N201-I205 PolarHBondContact OD1-O 2.95Å; F203-I205 VanDerWaalsContact C-N 3.29Å; F203-I205 HydrophobicContact CB-CG1 4.5Å; F203-I205 PolarHBondContact O-N 3Å; I205-N207 PolarHBondContact O-N 2.82Å
206F86.2Confident84Confident4 Ų442.9 Ų42.92%0.01822%0.224CC..EExtended strand (participates in β ladder)trans-57.6127.7175.4-176.7-127.4000111.2L177 P178 Y179 L181 I186 L198 G199 S209L177-F206 HydrophobicContact CB-CE1 3.98Å; L177-F206 HydrophobicContact CB-CZ 4Å; L177-F206 HydrophobicContact CD1-CZ 3.96Å; P178-F206 WeakPolarHBondContact O-CE1 3.05Å; Y179-F206 WeakPolarHBondContact CD1-O 3.04Å; L181-F206 HydrophobicContact CB-CE1 4.26Å; I186-F206 HydrophobicContact CD1-CE1 4.39Å; I186-F206 HydrophobicContact CD1-CE2 4.47Å; I186-F206 HydrophobicContact CD1-CZ 3.88Å; L198-F206 HydrophobicContact CB-CD2 3.9Å; L198-F206 HydrophobicContact CB-CE2 3.94Å; L198-F206 HydrophobicContact CD1-CD2 4.35Å; L198-F206 HydrophobicContact CD1-CE2 4.41Å; L198-F206 HydrophobicContact CD2-CD2 4.46Å; L198-F206 HydrophobicContact CD2-CE2 3.82Å; L198-F206 HydrophobicContact CD2-CZ 4.35Å; L198-F206 HydrophobicContact CG-CD2 4.45Å; L198-F206 HydrophobicContact CG-CE2 4.27Å; G199-F206 WeakPolarHBondContact O-CD2 3.47Å; F206-S209 WeakPolarHBondContact CE2-O 3.32Å
207N87.7Confident83.8Confident71 Ų7149 Ų4938%0.3825%0.249SC..EExtended strand (participates in β ladder)trans-95.58.6-17571.811.3000113.3Y179 G199 I205 S209Y179-N207 WeakPolarHBondContact CE1-O 3.21Å; G199-N207 PolarHBondContact O-N 2.92Å; G199-N207 PolarHBondContact O-OD1 2.77Å; I205-N207 PolarHBondContact O-N 2.82Å; N207-S209 WeakPolarHBondContact OD1-CB 2.91Å; N207-S209 PolarHBondContact OD1-N 3.49Å; N207-S209 PolarHBondContact OD1-O 3.02Å; N207-S209 PolarHBondContact OD1-OG 3.37Å
208G86.5Confident83.8Confident4 Ų453.3 Ų53.34%0.04127%0.272CS..EExtended strand (participates in β ladder)trans77.122.5-177.800000114R175 N176 L177R175-G208 CarbonylContact C-O 3.51Å; N176-G208 PolarHBondContact N-O 3.03Å; L177-G208 PolarHBondContact N-O 3.17Å; L177-G208 VanDerWaalsContact O-CA 3.31Å; L177-G208 WeakPolarHBondContact O-CA 3.48Å
209S89.3Confident83.7Confident26 Ų2654.6 Ų54.618%0.18228%0.28CS..EExtended strand (participates in β ladder)trans-137144.1171.8670000111.6I174 G199 F206 N207I174-S209 CarbonylContact O-C 3.13Å; I174-S209 WeakPolarHBondContact O-CA 3.46Å; I174-S209 VanDerWaalsContact O-CB 3.29Å; I174-S209 WeakPolarHBondContact O-CB 3.26Å; G199-S209 WeakPolarHBondContact CA-O 3.3Å; G199-S209 PolarHBondContact N-O 2.96Å; F206-S209 WeakPolarHBondContact CE2-O 3.32Å; N207-S209 WeakPolarHBondContact OD1-CB 2.91Å; N207-S209 PolarHBondContact OD1-N 3.49Å; N207-S209 PolarHBondContact OD1-O 3.02Å; N207-S209 PolarHBondContact OD1-OG 3.37Å
210C89.6Confident83.9Confident2 Ų253.9 Ų53.91%0.01427%0.271CS..EExtended strand (participates in β ladder)trans-134.3157.3173.169.80000110.5I173 I174 L177 V196 H197 L198I173-C210 CarbonylContact C-O 3.56Å; I173-C210 WeakPolarHBondContact CA-O 3.38Å; I174-C210 PolarHBondContact N-O 3.22Å; I174-C210 PolarHBondContact O-N 3.36Å; L177-C210 HydrophobicContact CD1-CB 4.25Å; L177-C210 VanDerWaalsContact CD1-SG 3.57Å; V196-C210 HydrophobicContact CG1-CB 4.38Å; H197-C210 CarbonylContact O-C 3.56Å; H197-C210 WeakPolarHBondContact O-CA 3.45Å; H197-C210 WeakPolarHBondContact O-CB 3.45Å; L198-C210 HydrophobicContact CD2-CB 3.55Å
211T89.8Confident84Confident20 Ų2055.7 Ų55.712%0.12328%0.276CS..EExtended strand (participates in β ladder)trans-104.1126.1163.6-58.60000108.7V165 C171 L172 H197V165-T211 HydrophobicContact CG1-CG2 3.66Å; C171-T211 HydrophobicContact CB-CG2 3.87Å; L172-T211 CarbonylContact O-C 3.55Å; L172-T211 VanDerWaalsContact O-CA 3.31Å; L172-T211 WeakPolarHBondContact O-CA 3.44Å; H197-T211 PolarHBondContact N-O 2.77Å; H197-T211 PolarHBondContact O-N 3.08Å
212L89.4Confident84.3Confident0 Ų056.5 Ų56.50%028%0.283CS..EExtended strand (participates in β ladder)trans-93.6132.4168.3-54.5-175.9000109C171 L172 I174 I186 F190 A193 V196 M214 V223C171-L212 WeakPolarHBondContact CA-O 3.38Å; L172-L212 HydrophobicContact CB-CB 4.33Å; L172-L212 PolarHBondContact N-O 2.76Å; L172-L212 PolarHBondContact O-N 3.24Å; I174-L212 HydrophobicContact CD1-CD1 3.32Å; I174-L212 HydrophobicContact CD1-CG 3.88Å; I174-L212 HydrophobicContact CG1-CD1 4.15Å; I174-L212 HydrophobicContact CG1-CG 4.29Å; I186-L212 HydrophobicContact CG2-CD2 4.2Å; F190-L212 HydrophobicContact CB-CD1 3.71Å; F190-L212 HydrophobicContact CB-CD2 4.48Å; F190-L212 HydrophobicContact CD1-CD1 4.04Å; F190-L212 HydrophobicContact CD2-CD1 4Å; F190-L212 HydrophobicContact CG-CD1 3.63Å; A193-L212 HydrophobicContact CB-CB 4.06Å; A193-L212 HydrophobicContact CB-CD1 4.28Å; A193-L212 HydrophobicContact CB-CD2 3.97Å; A193-L212 HydrophobicContact CB-CG 4.34Å; V196-L212 HydrophobicContact CB-CD2 4.38Å; V196-L212 HydrophobicContact CG1-CD2 4.11Å; V196-L212 HydrophobicContact CG2-CD2 3.84Å; L212-M214 HydrophobicContact CB-SD 4.46Å; L212-V223 HydrophobicContact CD1-CG1 4.29Å
213E87.3Confident84.8Confident62 Ų6248.8 Ų48.829%0.2925%0.249SC..EExtended strand (participates in β ladder)trans-102.3117.3170.1-172.1178.7-169.200108.5N194 R195 H197N194-E213 WeakPolarHBondContact CB-O 3.46Å; N194-E213 PolarHBondContact N-O 2.61Å; R195-E213 HydrophobicContact CB-CB 4.07Å; R195-E213 WeakPolarHBondContact CD-OE2 3.44Å; R195-E213 PolarHBondContact N-O 3.48Å; R195-E213 PolarHBondContact O-N 3.3Å; H197-E213 IonicContact NE2-OE2 3.95Å
214M86.3Confident85.7Confident5 Ų548 Ų483%0.02525%0.247CC..EExtended strand (participates in β ladder)trans-96.2148.4-179.3-55.5-60-66.800110N170 M192 A193 L212 D219 L220 V223N170-M214 HydrophobicContact CB-CB 4.45Å; N170-M214 WeakPolarHBondContact CB-O 3.33Å; N170-M214 PolarHBondContact O-N 2.73Å; M192-M214 HydrophobicContact CB-CE 3.54Å; M192-M214 WeakPolarHBondContact O-CE 3.48Å; A193-M214 HydrophobicContact CB-SD 4.16Å; L212-M214 HydrophobicContact CB-SD 4.46Å; M214-D219 HydrophobicContact CE-CB 3.48Å; M214-D219 VanDerWaalsContact CE-CB 3.48Å; M214-L220 HydrophobicContact CB-CB 4.34Å; M214-L220 HydrophobicContact CG-CB 4.09Å; M214-L220 HydrophobicContact CG-CD1 3.7Å; M214-V223 HydrophobicContact CE-CB 4.48Å; M214-V223 HydrophobicContact CE-CG2 3.62Å; M214-V223 HydrophobicContact SD-CG2 4.37Å
215K85.5Confident86.2Confident159 Ų15950.3 Ų50.369%0.69126%0.255SS*.SBendtrans-70.4-50.2175.1-168177.2-179.6-176.80110.4N170N170-K215 PolarHBondContact ND2-O 2.89Å; N170-K215 VanDerWaalsContact ND2-O 3.15Å
216N85.3Confident86.7Confident80 Ų8053.3 Ų53.343%0.42827%0.268SS..SBendtrans-114.3159.8-178.5-67.1-18.6000112.5L220N216-L220 PolarHBondContact O-N 3.28Å
217K83.9Confident86.7Confident154 Ų15453.1 Ų53.167%0.6727%0.268SS*.Hα-helixtrans-76-26.7175.6-168.2-178.1175.4-169.70112.3L220 Q221K217-L220 VanDerWaalsContact O-CB 3.32Å; K217-L220 WeakPolarHBondContact O-CB 3.38Å; K217-L220 PolarHBondContact O-N 2.92Å; K217-Q221 PolarHBondContact O-N 3.09Å
218D85.3Confident86.4Confident122 Ų12255.5 Ų55.565%0.65228%0.275SS*.Hα-helixtrans-69.5-45.6177.3-55.8-40.9000110.7L220 Q221 V222D218-L220 PolarHBondContact O-N 3.42Å; D218-Q221 PolarHBondContact O-N 3.28Å; D218-V222 PolarHBondContact O-N 3.3Å
219D86.1Confident86.2Confident47 Ų4762.6 Ų62.625%0.25131%0.306SS..Hα-helixtrans-57.4-37.1173.8-54.1-23.2000111.6M214 Q221 V222 V223M214-D219 HydrophobicContact CE-CB 3.48Å; M214-D219 VanDerWaalsContact CE-CB 3.48Å; D219-Q221 VanDerWaalsContact C-N 3.32Å; D219-Q221 PolarHBondContact O-N 2.95Å; D219-V222 PolarHBondContact O-N 2.87Å; D219-V223 WeakPolarHBondContact O-CG2 3.46Å; D219-V223 PolarHBondContact O-N 3.23Å
220L86.6Confident86.1Confident4 Ų463 Ų632%0.02131%0.305CS..Hα-helixtrans-60.9-41.7177.5-178.870.6000111.5L172 M214 N216 K217 D218 V223 I224 L241L172-L220 HydrophobicContact CB-CD1 3.64Å; L172-L220 HydrophobicContact CD1-CD1 4.22Å; L172-L220 HydrophobicContact CG-CD1 4.36Å; M214-L220 HydrophobicContact CB-CB 4.34Å; M214-L220 HydrophobicContact CG-CB 4.09Å; M214-L220 HydrophobicContact CG-CD1 3.7Å; N216-L220 PolarHBondContact O-N 3.28Å; K217-L220 VanDerWaalsContact O-CB 3.32Å; K217-L220 WeakPolarHBondContact O-CB 3.38Å; K217-L220 PolarHBondContact O-N 2.92Å; D218-L220 PolarHBondContact O-N 3.42Å; L220-V223 PolarHBondContact O-N 3.23Å; L220-I224 HydrophobicContact CG-CD1 4.12Å; L220-I224 VanDerWaalsContact O-CD1 3.3Å; L220-I224 WeakPolarHBondContact O-CD1 3.36Å; L220-I224 WeakPolarHBondContact O-CG1 3.33Å; L220-I224 PolarHBondContact O-N 3.14Å; L220-L241 HydrophobicContact CD1-CD1 4.38Å; L220-L241 HydrophobicContact CD2-CD1 3.58Å; L220-L241 HydrophobicContact CG-CD1 3.95Å
221Q84.5Confident86Confident98 Ų9870 Ų7046%0.45833%0.332SS..Hα-helixtrans-68.1-42.1179.5-170.155.647.300111.4K217 D218 D219 V223 I224 D225K217-Q221 PolarHBondContact O-N 3.09Å; D218-Q221 PolarHBondContact O-N 3.28Å; D219-Q221 VanDerWaalsContact C-N 3.32Å; D219-Q221 PolarHBondContact O-N 2.95Å; Q221-V223 PolarHBondContact O-N 3.06Å; Q221-I224 WeakPolarHBondContact O-CB 3.22Å; Q221-I224 PolarHBondContact O-N 3.31Å; Q221-D225 PolarHBondContact NE2-OD2 2.79Å; Q221-D225 VanDerWaalsContact NE2-OD2 3.12Å; Q221-D225 PolarHBondContact O-N 2.88Å; Q221-D225 VanDerWaalsContact O-N 3.08Å
222V86.5Confident85.9Confident78 Ų7869.1 Ų69.147%0.47333%0.327SS..Hα-helixtrans-58.4-47.5174.81780000110.9M192 D218 D219 I224 D225 E226M192-V222 HydrophobicContact CE-CG1 4.34Å; M192-V222 HydrophobicContact SD-CG1 4.35Å; D218-V222 PolarHBondContact O-N 3.3Å; D219-V222 PolarHBondContact O-N 2.87Å; V222-I224 VanDerWaalsContact C-N 3.31Å; V222-I224 PolarHBondContact O-N 3.35Å; V222-D225 PolarHBondContact O-N 3.4Å; V222-E226 PolarHBondContact O-N 2.96Å
223V87Confident85.6Confident2 Ų274.4 Ų74.41%0.01236%0.355CS..Hα-helixtrans-65-34179.1174.60000112.1L172 F190 M192 L212 M214 D219 L220 Q221 C227L172-V223 HydrophobicContact CD2-CB 4.42Å; L172-V223 HydrophobicContact CD2-CG1 3.64Å; F190-V223 HydrophobicContact CD1-CG1 3.88Å; F190-V223 HydrophobicContact CE1-CG1 4.25Å; M192-V223 HydrophobicContact CB-CG2 4.21Å; M192-V223 HydrophobicContact SD-CG2 4.05Å; L212-V223 HydrophobicContact CD1-CG1 4.29Å; M214-V223 HydrophobicContact CE-CB 4.48Å; M214-V223 HydrophobicContact CE-CG2 3.62Å; M214-V223 HydrophobicContact SD-CG2 4.37Å; D219-V223 WeakPolarHBondContact O-CG2 3.46Å; D219-V223 PolarHBondContact O-N 3.23Å; L220-V223 PolarHBondContact O-N 3.23Å; Q221-V223 PolarHBondContact O-N 3.06Å; V223-C227 VanDerWaalsContact O-CB 3.3Å; V223-C227 WeakPolarHBondContact O-CB 3.46Å; V223-C227 PolarHBondContact O-N 2.96Å; V223-C227 PolarHBondContact O-SG 2.94Å
224I86.8Confident85.5Confident28 Ų2879 Ų7914%0.14438%0.381CS..Hα-helixtrans-64.1-45.1175.7-73160.2000111.2L172 L220 Q221 V222 C227 K228 L241L172-I224 HydrophobicContact CD1-CD1 4.05Å; L172-I224 HydrophobicContact CD1-CG1 3.56Å; L172-I224 HydrophobicContact CD2-CG1 4.14Å; L220-I224 HydrophobicContact CG-CD1 4.12Å; L220-I224 VanDerWaalsContact O-CD1 3.3Å; L220-I224 WeakPolarHBondContact O-CD1 3.36Å; L220-I224 WeakPolarHBondContact O-CG1 3.33Å; L220-I224 PolarHBondContact O-N 3.14Å; Q221-I224 WeakPolarHBondContact O-CB 3.22Å; Q221-I224 PolarHBondContact O-N 3.31Å; V222-I224 VanDerWaalsContact C-N 3.31Å; V222-I224 PolarHBondContact O-N 3.35Å; I224-C227 WeakPolarHBondContact O-CB 3.46Å; I224-C227 PolarHBondContact O-N 3.18Å; I224-K228 PolarHBondContact O-N 3.01Å; I224-L241 HydrophobicContact CD1-CD1 3.28Å; I224-L241 HydrophobicContact CG1-CD1 4.47Å
225D85.4Confident85.4Confident68 Ų6882.5 Ų82.536%0.36439%0.394SS..Hα-helixtrans-68.9-38.9-179.6-69.9-38.4000111Q221 V222 C227 K228Q221-D225 PolarHBondContact NE2-OD2 2.79Å; Q221-D225 VanDerWaalsContact NE2-OD2 3.12Å; Q221-D225 PolarHBondContact O-N 2.88Å; Q221-D225 VanDerWaalsContact O-N 3.08Å; V222-D225 PolarHBondContact O-N 3.4Å; D225-C227 VanDerWaalsContact C-N 3.34Å; D225-C227 PolarHBondContact O-N 3.49Å; D225-K228 WeakPolarHBondContact O-CB 3.49Å; D225-K228 PolarHBondContact O-N 2.99Å; D225-K228 WeakPolarHBondContact OD1-CE 3.47Å; D225-K228 IonicContact OD1-NZ 3.24Å; D225-K228 PolarHBondContact OD1-NZ 3.05Å
226E85.9Confident85.5Confident85 Ų8578 Ų7840%0.39738%0.378SS..Hα-helixtrans-61.2-41.7171.5-161-168.715500111.7V222 K228 H229 K230V222-E226 PolarHBondContact O-N 2.96Å; E226-K228 PolarHBondContact O-N 3.34Å; E226-H229 PolarHBondContact O-N 3.33Å; E226-K230 WeakPolarHBondContact O-CB 3.34Å; E226-K230 PolarHBondContact O-N 3.47Å; E226-K230 IonicContact OE1-NZ 2.75Å; E226-K230 PolarHBondContact OE1-NZ 3.41Å
227C86.2Confident85.6Confident1 Ų174.5 Ų74.51%0.00736%0.359CS..Hα-helixtrans-63.7-23.2179.6-76.90000114F190 V223 I224 D225 H229 V237 A239F190-C227 VanDerWaalsContact CE1-SG 3.55Å; V223-C227 VanDerWaalsContact O-CB 3.3Å; V223-C227 WeakPolarHBondContact O-CB 3.46Å; V223-C227 PolarHBondContact O-N 2.96Å; V223-C227 PolarHBondContact O-SG 2.94Å; I224-C227 WeakPolarHBondContact O-CB 3.46Å; I224-C227 PolarHBondContact O-N 3.18Å; D225-C227 VanDerWaalsContact C-N 3.34Å; D225-C227 PolarHBondContact O-N 3.49Å; C227-H229 PolarHBondContact O-N 3.38Å; C227-V237 HydrophobicContact CB-CG1 4.34Å; C227-A239 HydrophobicContact CB-CB 3.51Å
228K82Confident85.7Confident121 Ų12174.8 Ų74.853%0.52636%0.355SS..THydrogen-bonded Turntrans-62.9-28.4-179-73.5171.8-178.7163.50112.7I224 D225 E226I224-K228 PolarHBondContact O-N 3.01Å; D225-K228 WeakPolarHBondContact O-CB 3.49Å; D225-K228 PolarHBondContact O-N 2.99Å; D225-K228 WeakPolarHBondContact OD1-CE 3.47Å; D225-K228 IonicContact OD1-NZ 3.24Å; D225-K228 PolarHBondContact OD1-NZ 3.05Å; E226-K228 PolarHBondContact O-N 3.34Å
229H81.4Confident85.7Confident152 Ų15270.4 Ų70.470%0.70434%0.337SS*.THydrogen-bonded Turntrans-122.34.7-175-56.4-67.3000113.4E226 C227 Y231E226-H229 PolarHBondContact O-N 3.33Å; C227-H229 PolarHBondContact O-N 3.38Å; H229-Y231 WeakPolarHBondContact O-CD2 3.48Å
230K86.6Confident85.4Confident34 Ų3471.7 Ų71.715%0.14834%0.343CS..  trans-81.6130.2-176.5-163.2160.9-167.1157.70112.1H189 F190 E226 I232 V237H189-K230 PolarHBondContact O-NZ 2.91Å; F190-K230 HydrophobicContact CE1-CD 3.95Å; F190-K230 HydrophobicContact CZ-CD 4.06Å; E226-K230 WeakPolarHBondContact O-CB 3.34Å; E226-K230 PolarHBondContact O-N 3.47Å; E226-K230 IonicContact OE1-NZ 2.75Å; E226-K230 PolarHBondContact OE1-NZ 3.41Å; K230-I232 HydrophobicContact CG-CG1 4.5Å; K230-V237 HydrophobicContact CB-CB 4.35Å; K230-V237 HydrophobicContact CB-CG2 4.23Å; K230-V237 HydrophobicContact CG-CG2 4.34Å; K230-V237 WeakPolarHBondContact O-CB 3.43Å; K230-V237 WeakPolarHBondContact O-CG2 3.33Å; K230-V237 PolarHBondContact O-N 2.9Å
231Y87.8Confident84.7Confident150 Ų15075.2 Ų75.259%0.58836%0.362SS*.EExtended strand (participates in β ladder)trans-112.5134.1171.3-73.9-97.4000109.9H229 R235 L236H229-Y231 WeakPolarHBondContact O-CD2 3.48Å; Y231-R235 WeakPolarHBondContact CA-O 3.38Å; Y231-L236 HydrophobicContact CD1-CB 4.19Å; Y231-L236 HydrophobicContact CD2-CD1 4.25Å; Y231-L236 HydrophobicContact CE1-CB 3.7Å; Y231-L236 HydrophobicContact CE1-CD1 4.21Å; Y231-L236 HydrophobicContact CE2-CD1 3.74Å
232I87.4Confident83.7Confident2 Ų272.4 Ų72.41%0.0135%0.349CS..EExtended strand (participates in β ladder)trans-124.4119.4172.3-54.9172.1000107.6L177 P178 L181 H189 F190 K230 N234 R235 V237L177-I232 HydrophobicContact CD2-CD1 3.8Å; P178-I232 HydrophobicContact CG-CG2 4.16Å; P178-I232 WeakPolarHBondContact CG-O 3.18Å; L181-I232 HydrophobicContact CD1-CG2 3.85Å; L181-I232 HydrophobicContact CD2-CG2 4.36Å; H189-I232 HydrophobicContact CB-CD1 4.19Å; F190-I232 HydrophobicContact CE2-CD1 4.16Å; F190-I232 HydrophobicContact CZ-CD1 4.36Å; K230-I232 HydrophobicContact CG-CG1 4.5Å; I232-N234 VanDerWaalsContact C-N 3.31Å; I232-N234 PolarHBondContact O-N 3.12Å; I232-R235 PolarHBondContact N-O 3Å; I232-R235 WeakPolarHBondContact O-CB 3.36Å; I232-R235 PolarHBondContact O-N 3.05Å; I232-V237 HydrophobicContact CB-CG2 4.46Å; I232-V237 HydrophobicContact CD1-CG2 3.66Å; I232-V237 HydrophobicContact CG1-CG2 3.76Å
233N84.9Confident81.6Confident110 Ų11070.9 Ų70.959%0.58834%0.341SS*.THydrogen-bonded Turntrans44.753.2-172-61.6-13.6000112.6P178 R235P178-N233 HydrophobicContact CB-CB 4.47Å; P178-N233 HydrophobicContact CG-CB 3.77Å; N233-R235 PolarHBondContact O-N 3.41Å; N233-R235 VanDerWaalsContact O-N 3.16Å
234N83.6Confident79.4Confident158 Ų15879 Ų7985%0.84538%0.376SS*.THydrogen-bonded Turntrans61.118.6-179.6-60.917.5000115.1I232I232-N234 VanDerWaalsContact C-N 3.31Å; I232-N234 PolarHBondContact O-N 3.12Å
235R85.4Confident77Confident80 Ų8081.2 Ų81.230%0.30239%0.394SS..EExtended strand (participates in β ladder)trans-111.5125.6173.5-57.3-177.983.9158.42110.1N176 Y231 I232 N233 V237N176-R235 PolarHBondContact OD1-NH2 3.21Å; Y231-R235 WeakPolarHBondContact CA-O 3.38Å; I232-R235 PolarHBondContact N-O 3Å; I232-R235 WeakPolarHBondContact O-CB 3.36Å; I232-R235 PolarHBondContact O-N 3.05Å; N233-R235 PolarHBondContact O-N 3.41Å; N233-R235 VanDerWaalsContact O-N 3.16Å; R235-V237 PolarHBondContact O-N 2.93Å
236L86.4Confident74.7Confident65 Ų6585.7 Ų85.734%0.3441%0.411SS..EExtended strand (participates in β ladder)trans-66.4123.8174.7-178.968.4000109.9N176 Y231N176-L236 PolarHBondContact ND2-O 2.78Å; Y231-L236 HydrophobicContact CD1-CB 4.19Å; Y231-L236 HydrophobicContact CD2-CD1 4.25Å; Y231-L236 HydrophobicContact CE1-CB 3.7Å; Y231-L236 HydrophobicContact CE1-CD1 4.21Å; Y231-L236 HydrophobicContact CE2-CD1 3.74Å
237V88.9Confident72.4Confident5 Ų585.1 Ų85.13%0.0342%0.416CS..  trans-70.4138.2177.3179.60000109.8I174 L177 F190 C227 K230 I232 R235I174-V237 HydrophobicContact CG2-CG1 3.34Å; L177-V237 HydrophobicContact CD2-CG2 4.26Å; F190-V237 HydrophobicContact CZ-CG1 4.25Å; C227-V237 HydrophobicContact CB-CG1 4.34Å; K230-V237 HydrophobicContact CB-CB 4.35Å; K230-V237 HydrophobicContact CB-CG2 4.23Å; K230-V237 HydrophobicContact CG-CG2 4.34Å; K230-V237 WeakPolarHBondContact O-CB 3.43Å; K230-V237 WeakPolarHBondContact O-CG2 3.33Å; K230-V237 PolarHBondContact O-N 2.9Å; I232-V237 HydrophobicContact CB-CG2 4.46Å; I232-V237 HydrophobicContact CD1-CG2 3.66Å; I232-V237 HydrophobicContact CG1-CG2 3.76Å; R235-V237 PolarHBondContact O-N 2.93Å
238R85.3Confident70Confident160 Ų16094.4 Ų94.460%0.60446%0.459SS*.EExtended strand (participates in β ladder)trans-119.7105.9176.6-66.7-176.167.4-177.22110.8I174 R175 N176I174-R238 CarbonylContact C-O 3.57Å; I174-R238 WeakPolarHBondContact CA-O 3.22Å; R175-R238 HydrophobicContact CB-CB 4.32Å; R175-R238 PolarHBondContact N-O 3.2Å; R175-R238 PolarHBondContact O-N 2.91Å; N176-R238 HydrophobicContact CB-CG 4.41Å
239A85.1Confident67.7Low31 Ų3192.6 Ų92.626%0.25646%0.462SS..EExtended strand (participates in β ladder)trans-89.5138.2174.900000111.8L172 I173 C227L172-A239 HydrophobicContact CD1-CB 4.1Å; L172-A239 HydrophobicContact CD2-CB 4.07Å; L172-A239 HydrophobicContact CG-CB 4.24Å; I173-A239 CarbonylContact O-C 3.52Å; I173-A239 WeakPolarHBondContact O-CA 3.41Å; C227-A239 HydrophobicContact CB-CB 3.51Å
240N78.7Confident65.6Low74 Ų7488.2 Ų88.240%0.39645%0.448SS..EExtended strand (participates in β ladder)trans-133.3127.9168.6-61.7-84.9000108.6I173 Q242I173-N240 PolarHBondContact N-O 3.1Å; I173-N240 PolarHBondContact O-N 3.29Å; N240-Q242 PolarHBondContact O-N 3.06Å
241L72.5Confident63.6Low78 Ų7892 Ų9241%0.40847%0.465SS..EExtended strand (participates in β ladder)trans-60.4126.3172.7-150.682.4000109.2L172 L220 I224 C243L172-L241 HydrophobicContact CD1-CD1 4.44Å; L220-L241 HydrophobicContact CD1-CD1 4.38Å; L220-L241 HydrophobicContact CD2-CD1 3.58Å; L220-L241 HydrophobicContact CG-CD1 3.95Å; I224-L241 HydrophobicContact CD1-CD1 3.28Å; I224-L241 HydrophobicContact CG1-CD1 4.47Å; L241-C243 HydrophobicContact CD2-CB 3.72Å; L241-C243 HydrophobicContact CG-CB 4.05Å; L241-C243 PolarHBondContact O-N 2.75Å
242Q64Low61.6Low38 Ų3887.1 Ų87.118%0.17845%0.451CS..SBendtrans-76.7-16.1174.4-161.5150.8500111.7V165 C171 I173 N240 K244V165-Q242 VanDerWaalsContact O-CG 3.27Å; V165-Q242 WeakPolarHBondContact O-CG 3.19Å; V165-Q242 PolarHBondContact O-NE2 2.76Å; C171-Q242 HydrophobicContact CB-CB 4.06Å; C171-Q242 VanDerWaalsContact O-CB 3.27Å; C171-Q242 WeakPolarHBondContact O-CB 3.4Å; C171-Q242 PolarHBondContact O-N 2.82Å; I173-Q242 HydrophobicContact CD1-CB 4.1Å; I173-Q242 VanDerWaalsContact CD1-CD 3.4Å; I173-Q242 HydrophobicContact CD1-CG 3.78Å; I173-Q242 HydrophobicContact CG1-CB 4.11Å; I173-Q242 HydrophobicContact CG1-CG 4.16Å; N240-Q242 PolarHBondContact O-N 3.06Å; Q242-K244 PolarHBondContact O-N 2.93Å
243C43.4Very low59.7Low47 Ų4790 Ų9032%0.31847%0.47SS..  trans-78.763173.5-150.70000111.3L241L241-C243 HydrophobicContact CD2-CB 3.72Å; L241-C243 HydrophobicContact CG-CB 4.05Å; L241-C243 PolarHBondContact O-N 2.75Å
244K39.5Very low58.1Low171 Ų17193.7 Ų93.774%0.74348%0.477SS*.  -86.290.4129.7-65.6-163.4179.4-164.90104.1Q242 K246Q242-K244 PolarHBondContact O-N 2.93Å; K244-K246 PolarHBondContact O-N 3.12Å; K244-K246 VanDerWaalsContact O-N 3.1Å
245S37.2Very low56.7Low75 Ų7589.1 Ų89.152%0.52446%0.461SS..  trans-41.5128.8143.551.60000104.1S247S245-S247 PolarHBondContact O-N 3.37Å
246K37.5Very low55.8Low163 Ų16385.9 Ų85.971%0.70945%0.451SS*.  trans-65.469155.3-61.5176.8-162.2134.60105.1K244 E248K244-K246 PolarHBondContact O-N 3.12Å; K244-K246 VanDerWaalsContact O-N 3.1Å; K246-E248 PolarHBondContact O-N 3.4Å
247S36.8Very low55.6Low73 Ų7386.4 Ų86.451%0.5145%0.449SS..  trans-43.7135.9132.958.80000104.1S245 S249S245-S247 PolarHBondContact O-N 3.37Å; S247-S249 PolarHBondContact O-N 3.45Å
248E34.9Very low55.6Low195 Ų19586.2 Ų86.291%0.91145%0.448SS*.SBendtrans-51.449.5174.3-92.7124.6149.800114.9K246 S250K246-E248 PolarHBondContact O-N 3.4Å; E248-S250 PolarHBondContact O-N 3.33Å
249S33.7Very low55.9Low83 Ų8378.6 Ų78.658%0.5842%0.419SS*.  trans-69.282144.483.90000105.3S247 K251S247-S249 PolarHBondContact O-N 3.45Å; S249-K251 PolarHBondContact O-N 2.94Å
250S38.8Very low56.3Low60 Ų6079.5 Ų79.542%0.4242%0.417SS..  trans-7.2101.9160.758.40000111.5E248 P252E248-S250 PolarHBondContact O-N 3.33Å; S250-P252 VanDerWaalsContact C-N 3.34Å; S250-P252 VanDerWaalsContact O-CD 3.31Å; S250-P252 WeakPolarHBondContact O-CD 3.32Å
251K43Very low56.9Low114 Ų11476 Ų7650%0.49640%0.399SS..  trans-48118.2142-81.1-175.2178.9-1780102.7S249 P253 Y254S249-K251 PolarHBondContact O-N 2.94Å; K251-P253 WeakPolarHBondContact O-CD 2.98Å; K251-Y254 HydrophobicContact CD-CE2 3.83Å; K251-Y254 PolarHBondContact NZ-OH 2.79Å
252P46.2Very low57.6Low47 Ų4774.5 Ų74.531%0.30539%0.389SS..  trans-51.9119.1176.420.9-30000104.1S250 Y254 F301 W330S250-P252 VanDerWaalsContact C-N 3.34Å; S250-P252 VanDerWaalsContact O-CD 3.31Å; S250-P252 WeakPolarHBondContact O-CD 3.32Å; P252-Y254 PolarHBondContact O-N 2.85Å; P252-F301 HydrophobicContact CB-CD1 3.78Å; P252-F301 HydrophobicContact CB-CD2 4.47Å; P252-F301 HydrophobicContact CB-CE1 3.59Å; P252-F301 HydrophobicContact CB-CE2 4.31Å; P252-F301 HydrophobicContact CB-CG 4.23Å; P252-F301 HydrophobicContact CB-CZ 3.87Å; P252-F301 HydrophobicContact CG-CE1 4.17Å; P252-F301 HydrophobicContact CG-CZ 4.24Å; P252-W330 HydrophobicContact CG-CH2 4.45Å
253P48Very low58.7Low63 Ų6378.2 Ų78.241%0.40941%0.406SS..  trans-44136.7-175-35.539.2000108K251 A255 S256 T283K251-P253 WeakPolarHBondContact O-CD 2.98Å; P253-A255 CarbonylContact O-C 3.59Å; P253-A255 PolarHBondContact O-N 3.49Å; P253-S256 VanDerWaalsContact CD-OG 3.23Å; P253-S256 WeakPolarHBondContact CD-OG 3.47Å; P253-S256 PolarHBondContact O-N 2.95Å; P253-S256 PolarHBondContact O-OG 2.92Å; P253-T283 HydrophobicContact CB-CG2 4.23Å; P253-T283 HydrophobicContact CG-CG2 3.37Å
254Y52.4Low60.8Low187 Ų18776 Ų7673%0.73339%0.391SS*.THydrogen-bonded Turntrans-57.72.9-167.2-80.9-96.1000114.4K251 P252K251-Y254 HydrophobicContact CD-CE2 3.83Å; K251-Y254 PolarHBondContact NZ-OH 2.79Å; P252-Y254 PolarHBondContact O-N 2.85Å
255A53.5Low63Low62 Ų6269 Ų6951%0.51236%0.363SS..THydrogen-bonded Turntrans-125.416173.500000116.2P253 Y257P253-A255 CarbonylContact O-C 3.59Å; P253-A255 PolarHBondContact O-N 3.49Å; A255-Y257 PolarHBondContact O-N 3.36Å
256S66.3Low65.3Low12 Ų1268.6 Ų68.68%0.08436%0.355CS..  trans-75.8129.1-176.4-49.50000113.5P253 G258P253-S256 VanDerWaalsContact CD-OG 3.23Å; P253-S256 WeakPolarHBondContact CD-OG 3.47Å; P253-S256 PolarHBondContact O-N 2.95Å; P253-S256 PolarHBondContact O-OG 2.92Å; S256-G258 PolarHBondContact O-N 2.99Å
257Y82.7Confident67.5Low76 Ų7665.4 Ų65.430%0.29835%0.349SS..EExtended strand (participates in β ladder)trans-74.495.8174.6-64-78.7000109.2A255 F302 K303 S305A255-Y257 PolarHBondContact O-N 3.36Å; Y257-F302 PolarHBondContact N-O 3.06Å; Y257-F302 VanDerWaalsContact N-O 3.12Å; Y257-F302 WeakPolarHBondContact O-CD2 3.39Å; Y257-F302 PolarHBondContact O-N 3.41Å; Y257-K303 WeakPolarHBondContact CD2-O 3.35Å; Y257-S305 VanDerWaalsContact CD2-N 3.26Å; Y257-S305 VanDerWaalsContact CE1-CB 3.46Å; Y257-S305 VanDerWaalsContact CE2-N 3.33Å
258G89.1Confident69.8Low1 Ų162 Ų621%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-83.2144.8-176.300000114.9S256 I300 R308 W330S256-G258 PolarHBondContact O-N 2.99Å; G258-I300 CarbonylContact C-O 3.53Å; G258-I300 WeakPolarHBondContact CA-O 3.43Å; G258-R308 WeakPolarHBondContact O-CD 3.49Å; G258-W330 PolarHBondContact O-N 3.36Å
259L91.4Very high72.4Confident0 Ų057 Ų570%031%0.305CS..EExtended strand (participates in β ladder)trans-124.9129.8170.3-179.165.3000108.5L261 F299 I300 F302 R308 A311 F312 F315 C327L259-L261 HydrophobicContact CD2-CD2 4.16Å; L259-L261 HydrophobicContact CG-CD2 4.26Å; L259-F299 CarbonylContact O-C 3.55Å; L259-F299 WeakPolarHBondContact O-CA 3.5Å; L259-I300 HydrophobicContact CB-CB 4.46Å; L259-I300 PolarHBondContact N-O 3.42Å; L259-I300 PolarHBondContact O-N 3.36Å; L259-F302 HydrophobicContact CB-CE2 3.95Å; L259-F302 HydrophobicContact CD2-CE2 4.17Å; L259-R308 HydrophobicContact CB-CG 4.31Å; L259-A311 HydrophobicContact CD2-CB 3.94Å; L259-F312 HydrophobicContact CD1-CB 4.09Å; L259-F312 HydrophobicContact CD1-CD2 3.65Å; L259-F312 HydrophobicContact CD1-CG 4.37Å; L259-F315 HydrophobicContact CD2-CD2 3.94Å; L259-F315 HydrophobicContact CD2-CE2 4.22Å; L259-C327 HydrophobicContact CD1-CB 4.13Å
260K92.3Very high75Confident51 Ų5155 Ų5522%0.22229%0.287CS..EExtended strand (participates in β ladder)trans-103.1117.7174.6-179.3-178.2-176.3176.80109.4N297 V298 F299 C327 R328 W330K260-N297 VanDerWaalsContact CE-CG 3.47Å; K260-N297 WeakPolarHBondContact CE-OD1 3.3Å; K260-N297 PolarHBondContact NZ-OD1 3.37Å; K260-V298 CarbonylContact C-O 3.54Å; K260-V298 WeakPolarHBondContact CA-O 2.91Å; K260-F299 HydrophobicContact CB-CD1 4.01Å; K260-F299 HydrophobicContact CB-CE1 3.99Å; K260-F299 HydrophobicContact CD-CD1 4.48Å; K260-F299 HydrophobicContact CD-CE1 3.65Å; K260-F299 HydrophobicContact CD-CZ 4Å; K260-F299 HydrophobicContact CG-CD1 4.02Å; K260-F299 HydrophobicContact CG-CE1 3.67Å; K260-F299 HydrophobicContact CG-CZ 4.2Å; K260-C327 CarbonylContact O-C 3.49Å; K260-C327 WeakPolarHBondContact O-CA 3.39Å; K260-R328 PolarHBondContact N-O 2.95Å; K260-R328 PolarHBondContact O-N 2.9Å; K260-W330 HydrophobicContact CB-CB 4.14Å
261L91.7Very high77.4Confident0 Ų058 Ų580%030%0.299CS..EExtended strand (participates in β ladder)trans-86132.5163.3-50.2-175.2000108.7L259 V264 I273 N297 V298 I300 F315 I325 C327L259-L261 HydrophobicContact CD2-CD2 4.16Å; L259-L261 HydrophobicContact CG-CD2 4.26Å; L261-V264 HydrophobicContact CB-CG2 3.51Å; L261-V264 HydrophobicContact CD1-CG2 4.24Å; L261-I273 HydrophobicContact CD1-CG2 4.15Å; L261-N297 WeakPolarHBondContact O-CA 3.31Å; L261-V298 HydrophobicContact CB-CB 4.19Å; L261-V298 HydrophobicContact CD1-CB 4.41Å; L261-V298 PolarHBondContact N-O 3.06Å; L261-V298 PolarHBondContact O-N 2.92Å; L261-I300 HydrophobicContact CD1-CD1 3.75Å; L261-I300 HydrophobicContact CG-CD1 4.11Å; L261-F315 HydrophobicContact CD1-CE1 3.97Å; L261-F315 HydrophobicContact CD1-CE2 4.03Å; L261-F315 HydrophobicContact CD1-CZ 3.66Å; L261-F315 HydrophobicContact CD2-CB 4.47Å; L261-F315 HydrophobicContact CD2-CD1 4.16Å; L261-F315 HydrophobicContact CD2-CD2 3.62Å; L261-F315 HydrophobicContact CD2-CE1 4.28Å; L261-F315 HydrophobicContact CD2-CE2 3.72Å; L261-F315 HydrophobicContact CD2-CG 3.85Å; L261-F315 HydrophobicContact CD2-CZ 4.08Å; L261-F315 HydrophobicContact CG-CE2 4.47Å; L261-I325 HydrophobicContact CB-CG2 3.92Å; L261-I325 HydrophobicContact CD1-CG2 4.27Å; L261-I325 HydrophobicContact CD2-CG2 4.24Å; L261-I325 HydrophobicContact CG-CG2 4.37Å; L261-C327 HydrophobicContact CD2-CB 3.67Å
262K88.3Confident79.5Confident47 Ų4758 Ų5820%0.20430%0.296CS..EExtended strand (participates in β ladder)trans-104143.7177.8-69.6-174.4168.8-164.20109.5V264 N297 S326 R328K262-V264 PolarHBondContact O-N 3.12Å; K262-N297 WeakPolarHBondContact CA-OD1 3.18Å; K262-S326 PolarHBondContact N-O 2.68Å; K262-R328 VanDerWaalsContact NZ-CZ 3.26Å
263E85.7Confident81.6Confident115 Ų11555.7 Ų55.754%0.53728%0.281SS..EExtended strand (participates in β ladder)trans54.938.4167.6-65.7163.3-168.300112.5P265 T295 R296E263-P265 WeakPolarHBondContact O-CD 3.49Å; E263-T295 HydrophobicContact CB-CG2 4.46Å; E263-R296 PolarHBondContact N-O 3.03Å
264V87.9Confident83.6Confident0 Ų057 Ų570%028%0.28CS..EExtended strand (participates in β ladder)trans-67.7123.8174.9-176.60000107.8L261 K262 I268 I273 T295 R296 V298 I325L261-V264 HydrophobicContact CB-CG2 3.51Å; L261-V264 HydrophobicContact CD1-CG2 4.24Å; K262-V264 PolarHBondContact O-N 3.12Å; V264-I268 HydrophobicContact CG1-CB 4.11Å; V264-I268 HydrophobicContact CG1-CD1 4.27Å; V264-I268 HydrophobicContact CG1-CG2 4.44Å; V264-I273 HydrophobicContact CG1-CD1 4.01Å; V264-T295 CarbonylContact O-C 3.56Å; V264-T295 WeakPolarHBondContact O-CA 3.49Å; V264-R296 HydrophobicContact CB-CG 4.4Å; V264-R296 PolarHBondContact N-O 3.49Å; V264-R296 PolarHBondContact O-N 3.26Å; V264-V298 HydrophobicContact CB-CG2 4.14Å; V264-V298 HydrophobicContact CG1-CG2 4.45Å; V264-V298 HydrophobicContact CG2-CB 4.35Å; V264-V298 HydrophobicContact CG2-CG2 3.91Å; V264-I325 HydrophobicContact CG2-CG2 3.91Å
265P85.6Confident85.4Confident25 Ų2551.2 Ų51.216%0.16227%0.271CS..EExtended strand (participates in β ladder)trans-57.8141.3176.3-24.734.1000111.5E263 V267 I268 Y323E263-P265 WeakPolarHBondContact O-CD 3.49Å; P265-V267 PolarHBondContact O-N 2.66Å; P265-V267 VanDerWaalsContact O-N 3.14Å; P265-I268 PolarHBondContact O-N 2.62Å; P265-Y323 HydrophobicContact CG-CD1 3.73Å; P265-Y323 HydrophobicContact CG-CE1 4.07Å; P265-Y323 HydrophobicContact CG-CG 4Å
266N85.1Confident87.1Confident67 Ų6748.8 Ų48.836%0.35825%0.249SC..THydrogen-bonded Turntrans-65.5-15.8179.2-67.7-13.8000113.2I268 N294 R296N266-I268 PolarHBondContact O-N 3.36Å; N266-N294 PolarHBondContact N-O 3.3Å; N266-R296 WeakPolarHBondContact OD1-CD 3.47Å
267V84.7Confident88.2Confident96 Ų9648.3 Ų48.358%0.58225%0.246SC*.THydrogen-bonded Turntrans-65.1-18.8172.4-174.30000112.2P265P265-V267 PolarHBondContact O-N 2.66Å; P265-V267 VanDerWaalsContact O-N 3.14Å
268I85.4Confident88.4Confident0 Ų045.9 Ų45.90%024%0.24CC..SBendtrans-97.9107.3175.8-55.2177.5000108.7V264 P265 N266 R272 I273 R296 M321 Y323 I325V264-I268 HydrophobicContact CG1-CB 4.11Å; V264-I268 HydrophobicContact CG1-CD1 4.27Å; V264-I268 HydrophobicContact CG1-CG2 4.44Å; P265-I268 PolarHBondContact O-N 2.62Å; N266-I268 PolarHBondContact O-N 3.36Å; I268-R272 HydrophobicContact CG2-CB 4.4Å; I268-I273 HydrophobicContact CG2-CD1 4.08Å; I268-I273 HydrophobicContact CG2-CG1 3.66Å; I268-R296 PolarHBondContact O-NH2 3.26Å; I268-M321 HydrophobicContact CD1-CB 4.28Å; I268-M321 HydrophobicContact CG2-CE 3.46Å; I268-M321 VanDerWaalsContact CG2-CE 3.46Å; I268-M321 HydrophobicContact CG2-SD 3.57Å; I268-M321 VanDerWaalsContact CG2-SD 3.57Å; I268-Y323 HydrophobicContact CD1-CD2 3.63Å; I268-Y323 HydrophobicContact CD1-CE2 4.28Å; I268-Y323 HydrophobicContact CD1-CG 4.22Å; I268-Y323 HydrophobicContact CG1-CD2 4.16Å; I268-Y323 HydrophobicContact CG1-CE2 4.31Å; I268-I325 HydrophobicContact CD1-CD1 3.94Å
269D88.3Confident87.9Confident91 Ų9152.9 Ų52.949%0.48727%0.272SS..  trans-70.6156.5176.5-59-51.6000113.2D271 R272 I273 R296D269-D271 PolarHBondContact O-N 3.16Å; D269-R272 HydrophobicContact CB-CG 4.45Å; D269-R272 PolarHBondContact O-N 2.95Å; D269-I273 PolarHBondContact O-N 3.49Å; D269-R296 VanDerWaalsContact C-NH2 3.29Å
270D88.7Confident87.4Confident40 Ų4057.7 Ų57.721%0.21430%0.301CS..Hα-helixtrans-62.7-32.9-179.1-76.5-24000111.7I273 K274 L285 S287 R296D270-I273 PolarHBondContact O-N 3.27Å; D270-K274 WeakPolarHBondContact O-CB 3.5Å; D270-K274 PolarHBondContact O-N 2.97Å; D270-L285 HydrophobicContact CB-CD2 3.74Å; D270-S287 VanDerWaalsContact OD2-CB 3.32Å; D270-S287 WeakPolarHBondContact OD2-CB 3.27Å; D270-S287 PolarHBondContact OD2-OG 3.19Å; D270-R296 VanDerWaalsContact CG-NH2 3.31Å; D270-R296 IonicContact OD1-CZ 2.74Å; D270-R296 IonicContact OD1-NH1 2.68Å; D270-R296 PolarHBondContact OD1-NH1 2.81Å; D270-R296 VanDerWaalsContact OD1-NH1 3.08Å; D270-R296 IonicContact OD1-NH2 2.68Å; D270-R296 PolarHBondContact OD1-NH2 2.72Å; D270-R296 IonicContact OD2-CZ 2.93Å; D270-R296 IonicContact OD2-NH1 2.99Å; D270-R296 PolarHBondContact OD2-NH1 2.91Å; D270-R296 IonicContact OD2-NH2 3.68Å
271D88.1Confident87.1Confident123 Ų12355.3 Ų55.366%0.65829%0.291SS*.Hα-helixtrans-66.9-37177.1-62.1-43.8000112.4D269 I273 K274 A275D269-D271 PolarHBondContact O-N 3.16Å; D271-I273 VanDerWaalsContact C-N 3.33Å; D271-I273 PolarHBondContact O-N 3.36Å; D271-K274 PolarHBondContact O-N 3.33Å; D271-A275 WeakPolarHBondContact O-CB 3.43Å; D271-A275 PolarHBondContact O-N 3.27Å
272R89.1Confident86.8Confident114 Ų11456 Ų5643%0.4330%0.295SS..Hα-helixtrans-65.4-39.1174.7-65.3-177.264.7-166.91111.4I268 D269 M321I268-R272 HydrophobicContact CG2-CB 4.4Å; D269-R272 HydrophobicContact CB-CG 4.45Å; D269-R272 PolarHBondContact O-N 2.95Å; R272-M321 HydrophobicContact CB-CE 4.46Å; R272-M321 HydrophobicContact CB-SD 3.85Å
273I89.9Confident86.7Confident0 Ų055.9 Ų55.90%030%0.298CS..Hα-helixtrans-67.7-42174.9-58.7169.1000110.1L261 V264 I268 D269 D270 D271 A275 L276 F277 L285 V298 I300 M321L261-I273 HydrophobicContact CD1-CG2 4.15Å; V264-I273 HydrophobicContact CG1-CD1 4.01Å; I268-I273 HydrophobicContact CG2-CD1 4.08Å; I268-I273 HydrophobicContact CG2-CG1 3.66Å; D269-I273 PolarHBondContact O-N 3.49Å; D270-I273 PolarHBondContact O-N 3.27Å; D271-I273 VanDerWaalsContact C-N 3.33Å; D271-I273 PolarHBondContact O-N 3.36Å; I273-A275 VanDerWaalsContact C-N 3.32Å; I273-A275 PolarHBondContact O-N 2.9Å; I273-L276 WeakPolarHBondContact O-CB 3.32Å; I273-L276 PolarHBondContact O-N 3.3Å; I273-F277 WeakPolarHBondContact O-CD2 3.28Å; I273-F277 WeakPolarHBondContact O-CE2 3.36Å; I273-L285 HydrophobicContact CB-CD1 4.17Å; I273-L285 HydrophobicContact CG2-CD1 3.85Å; I273-V298 HydrophobicContact CD1-CB 4.42Å; I273-V298 HydrophobicContact CD1-CG1 4.19Å; I273-V298 HydrophobicContact CD1-CG2 3.91Å; I273-I300 HydrophobicContact CG2-CD1 3.74Å; I273-I300 HydrophobicContact CG2-CG1 4.48Å; I273-M321 HydrophobicContact CB-CE 4.47Å; I273-M321 HydrophobicContact CG1-CE 3.83Å
274K89.7Confident86.7Confident89 Ų8951.3 Ų51.339%0.38728%0.282SS..Hα-helixtrans-62.1-40.6178.6-165.2-175.3177.4-161.80111.3D270 D271 L276 F277 L282D270-K274 WeakPolarHBondContact O-CB 3.5Å; D270-K274 PolarHBondContact O-N 2.97Å; D271-K274 PolarHBondContact O-N 3.33Å; K274-L276 PolarHBondContact O-N 2.89Å; K274-F277 PolarHBondContact O-N 3.44Å; K274-F277 VanDerWaalsContact O-N 3.1Å; K274-F277 VanDerWaalsContact O-O 3.06Å; K274-L282 HydrophobicContact CG-CD1 3.74Å
275A89.4Confident86.8Confident66 Ų6653.4 Ų53.455%0.54529%0.293SS..Hα-helixtrans-64-20.1-179.800000114.7D271 I273 F277D271-A275 WeakPolarHBondContact O-CB 3.43Å; D271-A275 PolarHBondContact O-N 3.27Å; I273-A275 VanDerWaalsContact C-N 3.32Å; I273-A275 PolarHBondContact O-N 2.9Å; A275-F277 PolarHBondContact O-N 3.21Å
276L88.9Confident86.9Confident11 Ų1154.9 Ų54.96%0.05830%0.304CS..THydrogen-bonded Turntrans-65.2-22.9173.8-64.8177.9000112.8I273 K274 M314 F315 V320 M321 P383 L386I273-L276 WeakPolarHBondContact O-CB 3.32Å; I273-L276 PolarHBondContact O-N 3.3Å; K274-L276 PolarHBondContact O-N 2.89Å; L276-M314 HydrophobicContact CD2-CE 4.38Å; L276-F315 HydrophobicContact CD1-CE1 4.29Å; L276-F315 HydrophobicContact CD1-CZ 3.95Å; L276-V320 HydrophobicContact CD1-CG1 3.53Å; L276-V320 HydrophobicContact CD2-CG1 4.43Å; L276-M321 HydrophobicContact CD1-CE 3.75Å; L276-M321 HydrophobicContact CG-CE 4.26Å; L276-P383 HydrophobicContact CD2-CB 4.23Å; L276-P383 HydrophobicContact CD2-CG 3.74Å; L276-L386 PolarHBondContact O-N 3.46Å
277F89.8Confident87Confident3 Ų353.6 Ų53.61%0.01330%0.3CS..SBendtrans-116.5147-175.5-52.3-72.9000110.5I273 K274 A275 E279 L282 I300 F302 A311 F315 L386I273-F277 WeakPolarHBondContact O-CD2 3.28Å; I273-F277 WeakPolarHBondContact O-CE2 3.36Å; K274-F277 PolarHBondContact O-N 3.44Å; K274-F277 VanDerWaalsContact O-N 3.1Å; K274-F277 VanDerWaalsContact O-O 3.06Å; A275-F277 PolarHBondContact O-N 3.21Å; F277-E279 PolarHBondContact O-N 2.68Å; F277-L282 HydrophobicContact CB-CD1 3.99Å; F277-L282 HydrophobicContact CB-CD2 4Å; F277-L282 HydrophobicContact CB-CG 3.96Å; F277-L282 HydrophobicContact CD2-CD1 4.41Å; F277-L282 HydrophobicContact CD2-CD2 4.26Å; F277-L282 HydrophobicContact CG-CD2 4.18Å; F277-I300 HydrophobicContact CE2-CD1 3.92Å; F277-F302 AromaticContact CD1-CE1 3.87Å; F277-F302 HydrophobicContact CD1-CE1 3.87Å; F277-F302 HydrophobicContact CD1-CZ 4.17Å; F277-F302 HydrophobicContact CE1-CE1 4.22Å; F277-F302 HydrophobicContact CE1-CZ 4.08Å; F277-F302 HydrophobicContact CG-CE1 4.13Å; F277-F302 HydrophobicContact CG-CZ 4.47Å; F277-F302 HydrophobicContact CZ-CZ 4.3Å; F277-A311 HydrophobicContact CD1-CB 4.41Å; F277-A311 HydrophobicContact CE1-CB 3.52Å; F277-A311 HydrophobicContact CZ-CB 3.99Å; F277-F315 HydrophobicContact CE2-CE2 4.21Å; F277-F315 HydrophobicContact CE2-CZ 4.34Å; F277-F315 AromaticContact CZ-CE2 3.59Å; F277-F315 HydrophobicContact CZ-CE2 3.59Å; F277-F315 HydrophobicContact CZ-CZ 4.01Å; F277-L386 HydrophobicContact CD1-CD1 4.11Å; F277-L386 HydrophobicContact CE1-CD1 3.75Å
278P87.4Confident86.9Confident25 Ų2552 Ų5216%0.16229%0.29CS..  trans-61.6137.5168.9-22.135.8000110.2T280 S281 L386 F388P278-T280 PolarHBondContact O-N 2.64Å; P278-T280 VanDerWaalsContact O-N 3.13Å; P278-S281 WeakPolarHBondContact O-CB 3.48Å; P278-S281 PolarHBondContact O-N 3.27Å; P278-L386 VanDerWaalsContact CD-O 3.28Å; P278-L386 WeakPolarHBondContact CD-O 3.35Å; P278-L386 WeakPolarHBondContact CG-O 3.32Å; P278-F388 HydrophobicContact CG-CD2 3.81Å; P278-F388 HydrophobicContact CG-CE2 4.3Å
279E79Confident86.7Confident147 Ų14756.4 Ų56.469%0.68732%0.321SS*.G310 helixtrans-57.2-32.1-179.9-63-161.813700112.3F277 S281 L282F277-E279 PolarHBondContact O-N 2.68Å; E279-S281 PolarHBondContact O-N 2.86Å; E279-L282 PolarHBondContact O-N 3.03Å
280T80.9Confident85.8Confident101 Ų10159.6 Ų59.662%0.6233%0.326SS*.G310 helixtrans-62.2-25177.558.80000113.4P278 K303P278-T280 PolarHBondContact O-N 2.64Å; P278-T280 VanDerWaalsContact O-N 3.13Å; T280-K303 WeakPolarHBondContact O-CD 3.31Å; T280-K303 WeakPolarHBondContact O-CE 3.43Å; T280-K303 PolarHBondContact O-NZ 3.08Å
281S85.3Confident84.3Confident1 Ų166.7 Ų66.71%0.00736%0.356CS..G310 helixtrans-88.5-22.5-175-60.90000113.3P278 E279 F302 K303 Q307 F388P278-S281 WeakPolarHBondContact O-CB 3.48Å; P278-S281 PolarHBondContact O-N 3.27Å; E279-S281 PolarHBondContact O-N 2.86Å; S281-F302 WeakPolarHBondContact O-CA 3.42Å; S281-K303 PolarHBondContact O-N 2.76Å; S281-Q307 VanDerWaalsContact CB-CD 3.46Å; S281-Q307 PolarHBondContact O-OE1 3.05Å; S281-Q307 PolarHBondContact OG-NE2 3.24Å; S281-Q307 VanDerWaalsContact OG-NE2 3.11Å; S281-F388 WeakPolarHBondContact OG-CD2 3.36Å; S281-F388 WeakPolarHBondContact OG-CE2 3.41Å
282L86.6Confident82.9Confident16 Ų1669 Ų698%0.08437%0.368CS..EExtended strand (participates in β ladder)trans-91.4141.6-176-61.8-178.1000111K274 F277 E279 I300 F302 K303K274-L282 HydrophobicContact CG-CD1 3.74Å; F277-L282 HydrophobicContact CB-CD1 3.99Å; F277-L282 HydrophobicContact CB-CD2 4Å; F277-L282 HydrophobicContact CB-CG 3.96Å; F277-L282 HydrophobicContact CD2-CD1 4.41Å; F277-L282 HydrophobicContact CD2-CD2 4.26Å; F277-L282 HydrophobicContact CG-CD2 4.18Å; E279-L282 PolarHBondContact O-N 3.03Å; L282-I300 HydrophobicContact CD2-CG2 3.54Å; L282-F302 HydrophobicContact CD2-CD1 3.78Å; L282-F302 HydrophobicContact CD2-CE1 3.55Å; L282-F302 HydrophobicContact CD2-CZ 4.14Å; L282-K303 WeakPolarHBondContact O-CE 3.3Å
283T85.4Confident81.9Confident44 Ų4465.2 Ų65.227%0.2736%0.359SS..EExtended strand (participates in β ladder)trans-100.3-24.3167.9-45.30000111.1P253 F301 K303P253-T283 HydrophobicContact CB-CG2 4.23Å; P253-T283 HydrophobicContact CG-CG2 3.37Å; T283-F301 PolarHBondContact N-O 3.28Å; T283-K303 WeakPolarHBondContact OG1-CG 3.27Å; T283-K303 PolarHBondContact OG1-N 3.02Å
284G85.6Confident81.5Confident19 Ų1972 Ų7220%0.19640%0.395CS..EExtended strand (participates in β ladder)trans169.4168.7177.600000112.3F301G284-F301 PolarHBondContact N-O 2.83Å; G284-F301 WeakPolarHBondContact O-CB 3.5Å; G284-F301 PolarHBondContact O-N 2.96Å
285L89.7Confident81.3Confident43 Ų4369.6 Ų69.623%0.22539%0.388CS..EExtended strand (participates in β ladder)trans-139.8138.5175.4-173.6152.1000108.6D270 I273 V298 F299 I300D270-L285 HydrophobicContact CB-CD2 3.74Å; I273-L285 HydrophobicContact CB-CD1 4.17Å; I273-L285 HydrophobicContact CG2-CD1 3.85Å; L285-V298 HydrophobicContact CD1-CG1 4.08Å; L285-V298 HydrophobicContact CD2-CG1 3.71Å; L285-V298 HydrophobicContact CG-CG1 3.81Å; L285-F299 CarbonylContact C-O 3.58Å; L285-F299 VanDerWaalsContact CA-O 3.3Å; L285-F299 WeakPolarHBondContact CA-O 3.13Å; L285-I300 HydrophobicContact CD1-CG1 4.07Å; L285-I300 HydrophobicContact CG-CG1 4.38Å
286S87.2Confident81.2Confident56 Ų5667.7 Ų67.739%0.39237%0.367SS..EExtended strand (participates in β ladder)trans-140.8128178.81760000110.6V298 F299S286-V298 CarbonylContact O-C 3.6Å; S286-F299 PolarHBondContact N-O 3.48Å; S286-F299 PolarHBondContact O-N 3.26Å
287S87.8Confident81.2Confident40 Ų4068.8 Ų68.828%0.2837%0.372SS..EExtended strand (participates in β ladder)trans-103.6146.8176.655.70000111.3D270 R296 N297D270-S287 VanDerWaalsContact OD2-CB 3.32Å; D270-S287 WeakPolarHBondContact OD2-CB 3.27Å; D270-S287 PolarHBondContact OD2-OG 3.19Å; S287-R296 PolarHBondContact OG-NH1 2.84Å; S287-N297 CarbonylContact C-O 3.47Å; S287-N297 WeakPolarHBondContact CA-O 3.19Å
288T83.7Confident81.3Confident62 Ų6268.6 Ų68.638%0.3837%0.372SS..EExtended strand (participates in β ladder)trans-133.5109.9175.951.10000108.9N297 F299T288-N297 PolarHBondContact N-O 2.86Å; T288-N297 PolarHBondContact O-N 2.81Å; T288-N297 PolarHBondContact OG1-O 3.04Å; T288-F299 HydrophobicContact CG2-CE2 4.08Å; T288-F299 WeakPolarHBondContact OG1-CE2 3.43Å
289S80.2Confident81.5Confident93 Ų9368.9 Ų68.965%0.6537%0.37SS*.EExtended strand (participates in β ladder)trans-69.1136.2174.5-53.30000110
290R69.4Low82.1Confident158 Ų15861.9 Ų61.960%0.59634%0.338SS*.PPolyproline II helixtrans-88.4125.9169.9-171.1178.8-178.8-163-3.5106.2D292 S293R290-D292 PolarHBondContact O-N 3.26Å; R290-S293 PolarHBondContact O-N 3.3Å; R290-S293 PolarHBondContact O-OG 2.77Å
291K57.8Low82.6Confident190 Ų19057.7 Ų57.783%0.82631%0.311SS*.THydrogen-bonded Turntrans-50.5127.9-179.3-67.9-173.3175.9-167.60108.8
292D57.9Low82.8Confident171 Ų17157.7 Ų57.791%0.91431%0.311SS*.THydrogen-bonded Turntrans69.127.9175.4-40.1-43.4000116.2R290R290-D292 PolarHBondContact O-N 3.26Å
293S68.9Low82.8Confident35 Ų3562.6 Ų62.625%0.24533%0.332CS..  trans-128.6141.4173.781.90000113.6R290 T295R290-S293 PolarHBondContact O-N 3.3Å; R290-S293 PolarHBondContact O-OG 2.77Å; S293-T295 PolarHBondContact O-N 2.79Å; S293-T295 PolarHBondContact OG-O 3.48Å; S293-T295 PolarHBondContact OG-OG1 2.89Å
294N81.1Confident83Confident143 Ų14365.4 Ų65.477%0.76534%0.34SS*.SBendtrans-66.913.5170.5-76.11.6000113.7N266N266-N294 PolarHBondContact N-O 3.3Å
295T84.6Confident83.1Confident38 Ų3866 Ų6623%0.23334%0.341CS..EExtended strand (participates in β ladder)trans-132.6156.1-178.470.90000111.4E263 V264 S293E263-T295 HydrophobicContact CB-CG2 4.46Å; V264-T295 CarbonylContact O-C 3.56Å; V264-T295 WeakPolarHBondContact O-CA 3.49Å; S293-T295 PolarHBondContact O-N 2.79Å; S293-T295 PolarHBondContact OG-O 3.48Å; S293-T295 PolarHBondContact OG-OG1 2.89Å
296R87.8Confident83Confident26 Ų2667.2 Ų67.210%0.09836%0.358CS..EExtended strand (participates in β ladder)trans-134.9156.7178.858.6-167.4-177.5137.512.5111.2E263 V264 N266 I268 D269 D270 S287 V298E263-R296 PolarHBondContact N-O 3.03Å; V264-R296 HydrophobicContact CB-CG 4.4Å; V264-R296 PolarHBondContact N-O 3.49Å; V264-R296 PolarHBondContact O-N 3.26Å; N266-R296 WeakPolarHBondContact OD1-CD 3.47Å; I268-R296 PolarHBondContact O-NH2 3.26Å; D269-R296 VanDerWaalsContact C-NH2 3.29Å; D270-R296 VanDerWaalsContact CG-NH2 3.31Å; D270-R296 IonicContact OD1-CZ 2.74Å; D270-R296 IonicContact OD1-NH1 2.68Å; D270-R296 PolarHBondContact OD1-NH1 2.81Å; D270-R296 VanDerWaalsContact OD1-NH1 3.08Å; D270-R296 IonicContact OD1-NH2 2.68Å; D270-R296 PolarHBondContact OD1-NH2 2.72Å; D270-R296 IonicContact OD2-CZ 2.93Å; D270-R296 IonicContact OD2-NH1 2.99Å; D270-R296 PolarHBondContact OD2-NH1 2.91Å; D270-R296 IonicContact OD2-NH2 3.68Å; S287-R296 PolarHBondContact OG-NH1 2.84Å; R296-V298 HydrophobicContact CG-CG2 4.24Å
297N90.2Very high83.1Confident33 Ų3365.6 Ų65.618%0.17634%0.344CS..EExtended strand (participates in β ladder)trans-93.4130.7168.3-66.2-76.2000108.8K260 L261 K262 S287 T288 F299K260-N297 VanDerWaalsContact CE-CG 3.47Å; K260-N297 WeakPolarHBondContact CE-OD1 3.3Å; K260-N297 PolarHBondContact NZ-OD1 3.37Å; L261-N297 WeakPolarHBondContact O-CA 3.31Å; K262-N297 WeakPolarHBondContact CA-OD1 3.18Å; S287-N297 CarbonylContact C-O 3.47Å; S287-N297 WeakPolarHBondContact CA-O 3.19Å; T288-N297 PolarHBondContact N-O 2.86Å; T288-N297 PolarHBondContact O-N 2.81Å; T288-N297 PolarHBondContact OG1-O 3.04Å; N297-F299 HydrophobicContact CB-CE2 4.31Å
298V91Very high83.3Confident0 Ų065.3 Ų65.30%034%0.336CS..EExtended strand (participates in β ladder)trans-111.8135.3177.5-176.40000109.2K260 L261 V264 I273 L285 S286 R296 I300K260-V298 CarbonylContact C-O 3.54Å; K260-V298 WeakPolarHBondContact CA-O 2.91Å; L261-V298 HydrophobicContact CB-CB 4.19Å; L261-V298 HydrophobicContact CD1-CB 4.41Å; L261-V298 PolarHBondContact N-O 3.06Å; L261-V298 PolarHBondContact O-N 2.92Å; V264-V298 HydrophobicContact CB-CG2 4.14Å; V264-V298 HydrophobicContact CG1-CG2 4.45Å; V264-V298 HydrophobicContact CG2-CB 4.35Å; V264-V298 HydrophobicContact CG2-CG2 3.91Å; I273-V298 HydrophobicContact CD1-CB 4.42Å; I273-V298 HydrophobicContact CD1-CG1 4.19Å; I273-V298 HydrophobicContact CD1-CG2 3.91Å; L285-V298 HydrophobicContact CD1-CG1 4.08Å; L285-V298 HydrophobicContact CD2-CG1 3.71Å; L285-V298 HydrophobicContact CG-CG1 3.81Å; S286-V298 CarbonylContact O-C 3.6Å; R296-V298 HydrophobicContact CG-CG2 4.24Å; V298-I300 HydrophobicContact CG1-CG1 4.24Å
299F91.9Very high83.6Confident31 Ų3168.9 Ų68.914%0.13635%0.347CS..EExtended strand (participates in β ladder)trans-113.4117.1177.4-61.7-88.7000108.3L259 K260 L285 S286 T288 N297 F301 W330L259-F299 CarbonylContact O-C 3.55Å; L259-F299 WeakPolarHBondContact O-CA 3.5Å; K260-F299 HydrophobicContact CB-CD1 4.01Å; K260-F299 HydrophobicContact CB-CE1 3.99Å; K260-F299 HydrophobicContact CD-CD1 4.48Å; K260-F299 HydrophobicContact CD-CE1 3.65Å; K260-F299 HydrophobicContact CD-CZ 4Å; K260-F299 HydrophobicContact CG-CD1 4.02Å; K260-F299 HydrophobicContact CG-CE1 3.67Å; K260-F299 HydrophobicContact CG-CZ 4.2Å; L285-F299 CarbonylContact C-O 3.58Å; L285-F299 VanDerWaalsContact CA-O 3.3Å; L285-F299 WeakPolarHBondContact CA-O 3.13Å; S286-F299 PolarHBondContact N-O 3.48Å; S286-F299 PolarHBondContact O-N 3.26Å; T288-F299 HydrophobicContact CG2-CE2 4.08Å; T288-F299 WeakPolarHBondContact OG1-CE2 3.43Å; N297-F299 HydrophobicContact CB-CE2 4.31Å; F299-F301 HydrophobicContact CB-CE2 3.99Å; F299-F301 HydrophobicContact CB-CZ 3.93Å; F299-W330 AromaticContact CD1-CD1 3.69Å; F299-W330 HydrophobicContact CD1-CG 4.06Å; F299-W330 AromaticContact CD1-NE1 3.87Å; F299-W330 AromaticContact CE1-CD1 3.46Å; F299-W330 VanDerWaalsContact CE1-CD1 3.46Å; F299-W330 HydrophobicContact CE1-CG 4.27Å; F299-W330 AromaticContact CE1-NE1 3.57Å
300I91.5Very high84.1Confident0 Ų066.1 Ų66.10%033%0.33CS..EExtended strand (participates in β ladder)trans-107132.3178.8-51.6175.2000107.9G258 L259 L261 I273 F277 L282 L285 V298 F302 F315G258-I300 CarbonylContact C-O 3.53Å; G258-I300 WeakPolarHBondContact CA-O 3.43Å; L259-I300 HydrophobicContact CB-CB 4.46Å; L259-I300 PolarHBondContact N-O 3.42Å; L259-I300 PolarHBondContact O-N 3.36Å; L261-I300 HydrophobicContact CD1-CD1 3.75Å; L261-I300 HydrophobicContact CG-CD1 4.11Å; I273-I300 HydrophobicContact CG2-CD1 3.74Å; I273-I300 HydrophobicContact CG2-CG1 4.48Å; F277-I300 HydrophobicContact CE2-CD1 3.92Å; L282-I300 HydrophobicContact CD2-CG2 3.54Å; L285-I300 HydrophobicContact CD1-CG1 4.07Å; L285-I300 HydrophobicContact CG-CG1 4.38Å; V298-I300 HydrophobicContact CG1-CG1 4.24Å; I300-F302 HydrophobicContact CB-CE2 4.03Å; I300-F302 HydrophobicContact CB-CZ 4.38Å; I300-F302 HydrophobicContact CG2-CD2 4.21Å; I300-F302 HydrophobicContact CG2-CE1 4.22Å; I300-F302 HydrophobicContact CG2-CE2 3.54Å; I300-F302 HydrophobicContact CG2-CZ 3.55Å; I300-F315 HydrophobicContact CD1-CE2 4.23Å
301F91Very high85.2Confident13 Ų1358.6 Ų58.66%0.05730%0.301CS..EExtended strand (participates in β ladder)trans-113.9122-179-61-75.3000109.5P252 T283 G284 F299 W330P252-F301 HydrophobicContact CB-CD1 3.78Å; P252-F301 HydrophobicContact CB-CD2 4.47Å; P252-F301 HydrophobicContact CB-CE1 3.59Å; P252-F301 HydrophobicContact CB-CE2 4.31Å; P252-F301 HydrophobicContact CB-CG 4.23Å; P252-F301 HydrophobicContact CB-CZ 3.87Å; P252-F301 HydrophobicContact CG-CE1 4.17Å; P252-F301 HydrophobicContact CG-CZ 4.24Å; T283-F301 PolarHBondContact N-O 3.28Å; G284-F301 PolarHBondContact N-O 2.83Å; G284-F301 WeakPolarHBondContact O-CB 3.5Å; G284-F301 PolarHBondContact O-N 2.96Å; F299-F301 HydrophobicContact CB-CE2 3.99Å; F299-F301 HydrophobicContact CB-CZ 3.93Å; F301-W330 HydrophobicContact CD1-CZ3 4.4Å; F301-W330 AromaticContact CE1-CE3 3.84Å; F301-W330 HydrophobicContact CE1-CE3 3.84Å; F301-W330 HydrophobicContact CE1-CH2 4.05Å; F301-W330 AromaticContact CE1-CZ3 3.55Å; F301-W330 HydrophobicContact CE1-CZ3 3.55Å; F301-W330 HydrophobicContact CZ-CZ3 4.43Å
302F90Very high86.8Confident0 Ų052.2 Ų52.20%027%0.273CS..EExtended strand (participates in β ladder)trans-104.2148.9179.5-63.9-87.8000111.8Y257 L259 F277 S281 L282 I300 Q307 R308 A311Y257-F302 PolarHBondContact N-O 3.06Å; Y257-F302 VanDerWaalsContact N-O 3.12Å; Y257-F302 WeakPolarHBondContact O-CD2 3.39Å; Y257-F302 PolarHBondContact O-N 3.41Å; L259-F302 HydrophobicContact CB-CE2 3.95Å; L259-F302 HydrophobicContact CD2-CE2 4.17Å; F277-F302 AromaticContact CD1-CE1 3.87Å; F277-F302 HydrophobicContact CD1-CE1 3.87Å; F277-F302 HydrophobicContact CD1-CZ 4.17Å; F277-F302 HydrophobicContact CE1-CE1 4.22Å; F277-F302 HydrophobicContact CE1-CZ 4.08Å; F277-F302 HydrophobicContact CG-CE1 4.13Å; F277-F302 HydrophobicContact CG-CZ 4.47Å; F277-F302 HydrophobicContact CZ-CZ 4.3Å; S281-F302 WeakPolarHBondContact O-CA 3.42Å; L282-F302 HydrophobicContact CD2-CD1 3.78Å; L282-F302 HydrophobicContact CD2-CE1 3.55Å; L282-F302 HydrophobicContact CD2-CZ 4.14Å; I300-F302 HydrophobicContact CB-CE2 4.03Å; I300-F302 HydrophobicContact CB-CZ 4.38Å; I300-F302 HydrophobicContact CG2-CD2 4.21Å; I300-F302 HydrophobicContact CG2-CE1 4.22Å; I300-F302 HydrophobicContact CG2-CE2 3.54Å; I300-F302 HydrophobicContact CG2-CZ 3.55Å; F302-Q307 HydrophobicContact CB-CB 4.33Å; F302-Q307 HydrophobicContact CD1-CB 3.81Å; F302-Q307 HydrophobicContact CG-CB 4.32Å; F302-R308 HydrophobicContact CB-CB 4.15Å; F302-R308 HydrophobicContact CD2-CB 3.64Å; F302-R308 HydrophobicContact CD2-CG 3.98Å; F302-R308 HydrophobicContact CE2-CB 4.31Å; F302-R308 HydrophobicContact CE2-CG 4.4Å; F302-R308 HydrophobicContact CG-CB 4.03Å; F302-A311 HydrophobicContact CE1-CB 4.06Å; F302-A311 HydrophobicContact CE2-CB 3.94Å; F302-A311 HydrophobicContact CZ-CB 3.38Å
303K87.2Confident88.3Confident120 Ų12050.8 Ų50.852%0.52226%0.259SS..SBendtrans-69.8-45.1173.1-66-172-168.4164.60111.3Y257 T280 S281 L282 T283Y257-K303 WeakPolarHBondContact CD2-O 3.35Å; T280-K303 WeakPolarHBondContact O-CD 3.31Å; T280-K303 WeakPolarHBondContact O-CE 3.43Å; T280-K303 PolarHBondContact O-NZ 3.08Å; S281-K303 PolarHBondContact O-N 2.76Å; L282-K303 WeakPolarHBondContact O-CE 3.3Å; T283-K303 WeakPolarHBondContact OG1-CG 3.27Å; T283-K303 PolarHBondContact OG1-N 3.02Å
304K87.8Confident89.2Confident102 Ų10249.7 Ų49.744%0.44325%0.25SS..SBendtrans-108.5149.1-179.3-64.1-175.3174.6-175.70112.9A306 Q307 R308 D391K304-A306 VanDerWaalsContact C-N 3.34Å; K304-A306 PolarHBondContact O-N 2.84Å; K304-Q307 HydrophobicContact CB-CG 4.15Å; K304-Q307 PolarHBondContact O-N 3.24Å; K304-R308 PolarHBondContact O-N 3.24Å; K304-D391 IonicContact NZ-OD2 3.08Å; K304-D391 PolarHBondContact NZ-OD2 3.44Å
305S87.5Confident89.7Confident32 Ų3243.1 Ų43.122%0.22422%0.215CC..Hα-helixtrans-66.1-36176.5-168.40000112.3Y257 R308 K309Y257-S305 VanDerWaalsContact CD2-N 3.26Å; Y257-S305 VanDerWaalsContact CE1-CB 3.46Å; Y257-S305 VanDerWaalsContact CE2-N 3.33Å; S305-R308 PolarHBondContact O-N 2.93Å; S305-R308 PolarHBondContact OG-NH2 2.9Å; S305-K309 WeakPolarHBondContact O-CG 3.15Å; S305-K309 PolarHBondContact O-N 3.35Å
306A88.5Confident89.8Confident69 Ų6948.4 Ų48.457%0.5724%0.235SC*.Hα-helixtrans-60.2-46.817800000111.3K304 R308 K309 A310K304-A306 VanDerWaalsContact C-N 3.34Å; K304-A306 PolarHBondContact O-N 2.84Å; A306-R308 PolarHBondContact O-N 2.62Å; A306-K309 WeakPolarHBondContact O-CB 3.23Å; A306-K309 PolarHBondContact O-N 2.74Å; A306-A310 PolarHBondContact O-N 3.14Å
307Q90.1Very high89.5Confident21 Ų2152.3 Ų52.310%0.09826%0.257CS..Hα-helixtrans-59.2-45.3176.9-66.3164.1-14.300111.9S281 F302 K304 K309 A310 A311 F388S281-Q307 VanDerWaalsContact CB-CD 3.46Å; S281-Q307 PolarHBondContact O-OE1 3.05Å; S281-Q307 PolarHBondContact OG-NE2 3.24Å; S281-Q307 VanDerWaalsContact OG-NE2 3.11Å; F302-Q307 HydrophobicContact CB-CB 4.33Å; F302-Q307 HydrophobicContact CD1-CB 3.81Å; F302-Q307 HydrophobicContact CG-CB 4.32Å; K304-Q307 HydrophobicContact CB-CG 4.15Å; K304-Q307 PolarHBondContact O-N 3.24Å; Q307-K309 VanDerWaalsContact C-N 3.33Å; Q307-K309 PolarHBondContact O-N 3.49Å; Q307-A310 PolarHBondContact O-N 2.69Å; Q307-A311 WeakPolarHBondContact O-CB 3.45Å; Q307-A311 PolarHBondContact O-N 3.25Å; Q307-F388 HydrophobicContact CB-CE1 3.96Å; Q307-F388 HydrophobicContact CB-CE2 4.2Å; Q307-F388 HydrophobicContact CB-CZ 3.78Å; Q307-F388 HydrophobicContact CG-CD1 3.84Å; Q307-F388 HydrophobicContact CG-CD2 4.02Å; Q307-F388 HydrophobicContact CG-CE1 3.8Å; Q307-F388 HydrophobicContact CG-CE2 3.97Å; Q307-F388 HydrophobicContact CG-CG 3.96Å; Q307-F388 HydrophobicContact CG-CZ 3.86Å
308R91.5Very high89Confident34 Ų3455.9 Ų55.913%0.12827%0.273CS..Hα-helixtrans-59.8-42.1173.7-178.5-16855.2179.4-3112.1G258 L259 F302 K304 S305 A306 A311 F312 L329G258-R308 WeakPolarHBondContact O-CD 3.49Å; L259-R308 HydrophobicContact CB-CG 4.31Å; F302-R308 HydrophobicContact CB-CB 4.15Å; F302-R308 HydrophobicContact CD2-CB 3.64Å; F302-R308 HydrophobicContact CD2-CG 3.98Å; F302-R308 HydrophobicContact CE2-CB 4.31Å; F302-R308 HydrophobicContact CE2-CG 4.4Å; F302-R308 HydrophobicContact CG-CB 4.03Å; K304-R308 PolarHBondContact O-N 3.24Å; S305-R308 PolarHBondContact O-N 2.93Å; S305-R308 PolarHBondContact OG-NH2 2.9Å; A306-R308 PolarHBondContact O-N 2.62Å; R308-A311 PolarHBondContact O-N 3.2Å; R308-F312 VanDerWaalsContact O-CB 3.3Å; R308-F312 WeakPolarHBondContact O-CB 3.42Å; R308-F312 PolarHBondContact O-N 3.45Å; R308-L329 HydrophobicContact CG-CD2 4.06Å
309K89.9Confident88.7Confident138 Ų13859.4 Ų59.460%0.630%0.295SS*.Hα-helixtrans-65.8-42.5180-76.1-179.3179.1-177.80111.5S305 A306 Q307 F312 K313S305-K309 WeakPolarHBondContact O-CG 3.15Å; S305-K309 PolarHBondContact O-N 3.35Å; A306-K309 WeakPolarHBondContact O-CB 3.23Å; A306-K309 PolarHBondContact O-N 2.74Å; Q307-K309 VanDerWaalsContact C-N 3.33Å; Q307-K309 PolarHBondContact O-N 3.49Å; K309-F312 PolarHBondContact O-N 3.06Å; K309-K313 PolarHBondContact O-N 2.99Å
310A90.7Very high88.2Confident35 Ų3558 Ų5829%0.28929%0.288SS..Hα-helixtrans-61-48.6174.900000111.1A306 Q307 F312 K313 M314 L386 F388A306-A310 PolarHBondContact O-N 3.14Å; Q307-A310 PolarHBondContact O-N 2.69Å; A310-F312 VanDerWaalsContact C-N 3.34Å; A310-F312 PolarHBondContact O-N 2.95Å; A310-K313 PolarHBondContact O-N 3.08Å; A310-K313 VanDerWaalsContact O-N 3.12Å; A310-M314 PolarHBondContact O-N 2.71Å; A310-L386 HydrophobicContact CB-CD2 4.38Å; A310-F388 HydrophobicContact CB-CE1 3.75Å; A310-F388 HydrophobicContact CB-CZ 4.38Å
311A91.7Very high87.7Confident0 Ų059.3 Ų59.30%030%0.295CS..Hα-helixtrans-60-41.7175.300000112.4L259 F277 F302 Q307 R308 K313 M314 F315L259-A311 HydrophobicContact CD2-CB 3.94Å; F277-A311 HydrophobicContact CD1-CB 4.41Å; F277-A311 HydrophobicContact CE1-CB 3.52Å; F277-A311 HydrophobicContact CZ-CB 3.99Å; F302-A311 HydrophobicContact CE1-CB 4.06Å; F302-A311 HydrophobicContact CE2-CB 3.94Å; F302-A311 HydrophobicContact CZ-CB 3.38Å; Q307-A311 WeakPolarHBondContact O-CB 3.45Å; Q307-A311 PolarHBondContact O-N 3.25Å; R308-A311 PolarHBondContact O-N 3.2Å; A311-K313 VanDerWaalsContact C-N 3.32Å; A311-K313 PolarHBondContact O-N 3.47Å; A311-M314 PolarHBondContact O-N 3.29Å; A311-F315 VanDerWaalsContact O-CD2 3.22Å; A311-F315 WeakPolarHBondContact O-CD2 3.47Å; A311-F315 PolarHBondContact O-N 3.28Å
312F91.5Very high87.2Confident55 Ų5561.5 Ų61.524%0.24132%0.321CS..Hα-helixtrans-61.6-39.8175.2-179.6-96.3000112L259 R308 K309 A310 K316 C327 L329L259-F312 HydrophobicContact CD1-CB 4.09Å; L259-F312 HydrophobicContact CD1-CD2 3.65Å; L259-F312 HydrophobicContact CD1-CG 4.37Å; R308-F312 VanDerWaalsContact O-CB 3.3Å; R308-F312 WeakPolarHBondContact O-CB 3.42Å; R308-F312 PolarHBondContact O-N 3.45Å; K309-F312 PolarHBondContact O-N 3.06Å; A310-F312 VanDerWaalsContact C-N 3.34Å; A310-F312 PolarHBondContact O-N 2.95Å; F312-K316 HydrophobicContact CE1-CD 4.05Å; F312-K316 HydrophobicContact CZ-CD 4.34Å; F312-K316 WeakPolarHBondContact O-CB 3.3Å; F312-K316 PolarHBondContact O-N 3.4Å; F312-K316 VanDerWaalsContact O-N 3.1Å; F312-C327 WeakPolarHBondContact CD2-SG 3.42Å; F312-L329 HydrophobicContact CB-CD2 4.29Å; F312-L329 HydrophobicContact CD2-CD2 3.99Å; F312-L329 HydrophobicContact CD2-CG 4.01Å; F312-L329 HydrophobicContact CE2-CG 4.15Å; F312-L329 HydrophobicContact CG-CD2 4.13Å; F312-L329 HydrophobicContact CG-CG 4.44Å
313K89.6Confident86.9Confident141 Ų14166 Ų6661%0.61334%0.339SS*.Hα-helixtrans-67.4-43.7177.2-168.7179.9179.2-173.70111.3K309 A310 A311 K316 N317K309-K313 PolarHBondContact O-N 2.99Å; A310-K313 PolarHBondContact O-N 3.08Å; A310-K313 VanDerWaalsContact O-N 3.12Å; A311-K313 VanDerWaalsContact C-N 3.32Å; A311-K313 PolarHBondContact O-N 3.47Å; K313-K316 PolarHBondContact O-N 3.37Å; K313-N317 WeakPolarHBondContact O-CB 3.19Å; K313-N317 PolarHBondContact O-N 3.25Å; K313-N317 VanDerWaalsContact O-N 3.08Å
314M88.9Confident86.7Confident12 Ų1265.6 Ų65.66%0.05935%0.348CS..Hα-helixtrans-55.3-59175.9-176.6-167.4-17900110.9L276 A310 A311 K316 N317 E318 V320 P383 L386L276-M314 HydrophobicContact CD2-CE 4.38Å; A310-M314 PolarHBondContact O-N 2.71Å; A311-M314 PolarHBondContact O-N 3.29Å; M314-K316 PolarHBondContact O-N 3.04Å; M314-N317 PolarHBondContact O-N 3.49Å; M314-E318 WeakPolarHBondContact CG-OE2 3.36Å; M314-E318 WeakPolarHBondContact O-CB 3.32Å; M314-E318 PolarHBondContact O-N 3.28Å; M314-V320 HydrophobicContact CE-CG1 4.42Å; M314-V320 HydrophobicContact CE-CG2 4.19Å; M314-V320 HydrophobicContact CG-CG2 4.43Å; M314-P383 HydrophobicContact CE-CB 4.34Å; M314-L386 HydrophobicContact CB-CD1 4.38Å; M314-L386 HydrophobicContact SD-CD1 3.55Å; M314-L386 VanDerWaalsContact SD-CD1 3.55Å; M314-L386 HydrophobicContact SD-CG 4.28Å
315F90Very high86.7Confident6 Ų661 Ų613%0.02633%0.329CS..Hα-helixtrans-66.1-22.7-179.2-74-67.7000114.3L259 L261 L276 F277 I300 A311 V320 I325 C327L259-F315 HydrophobicContact CD2-CD2 3.94Å; L259-F315 HydrophobicContact CD2-CE2 4.22Å; L261-F315 HydrophobicContact CD1-CE1 3.97Å; L261-F315 HydrophobicContact CD1-CE2 4.03Å; L261-F315 HydrophobicContact CD1-CZ 3.66Å; L261-F315 HydrophobicContact CD2-CB 4.47Å; L261-F315 HydrophobicContact CD2-CD1 4.16Å; L261-F315 HydrophobicContact CD2-CD2 3.62Å; L261-F315 HydrophobicContact CD2-CE1 4.28Å; L261-F315 HydrophobicContact CD2-CE2 3.72Å; L261-F315 HydrophobicContact CD2-CG 3.85Å; L261-F315 HydrophobicContact CD2-CZ 4.08Å; L261-F315 HydrophobicContact CG-CE2 4.47Å; L276-F315 HydrophobicContact CD1-CE1 4.29Å; L276-F315 HydrophobicContact CD1-CZ 3.95Å; F277-F315 HydrophobicContact CE2-CE2 4.21Å; F277-F315 HydrophobicContact CE2-CZ 4.34Å; F277-F315 AromaticContact CZ-CE2 3.59Å; F277-F315 HydrophobicContact CZ-CE2 3.59Å; F277-F315 HydrophobicContact CZ-CZ 4.01Å; I300-F315 HydrophobicContact CD1-CE2 4.23Å; A311-F315 VanDerWaalsContact O-CD2 3.22Å; A311-F315 WeakPolarHBondContact O-CD2 3.47Å; A311-F315 PolarHBondContact O-N 3.28Å; F315-V320 HydrophobicContact CD1-CB 4.01Å; F315-V320 HydrophobicContact CD1-CG1 4.31Å; F315-V320 HydrophobicContact CD1-CG2 3.62Å; F315-V320 HydrophobicContact CE1-CB 3.91Å; F315-V320 HydrophobicContact CE1-CG1 3.72Å; F315-V320 HydrophobicContact CE1-CG2 3.89Å; F315-V320 HydrophobicContact CG-CG2 4.49Å; F315-I325 HydrophobicContact CD1-CB 4.11Å; F315-I325 HydrophobicContact CD1-CG2 4.28Å; F315-I325 HydrophobicContact CE1-CD1 4.18Å; F315-C327 HydrophobicContact CB-CB 3.83Å
316K86.6Confident86.6Confident148 Ų14862.2 Ų62.264%0.64334%0.337SS*.Hα-helixtrans-78.3-32.6177.9-172179.5178.4-168.70112.2F312 K313 M314F312-K316 HydrophobicContact CE1-CD 4.05Å; F312-K316 HydrophobicContact CZ-CD 4.34Å; F312-K316 WeakPolarHBondContact O-CB 3.3Å; F312-K316 PolarHBondContact O-N 3.4Å; F312-K316 VanDerWaalsContact O-N 3.1Å; K313-K316 PolarHBondContact O-N 3.37Å; M314-K316 PolarHBondContact O-N 3.04Å
317N82.7Confident86.8Confident108 Ų10859.7 Ų59.758%0.57832%0.315SS*.Hα-helixtrans-109-18.5-169-64.4-5.2000113.4K313 M314K313-N317 WeakPolarHBondContact O-CB 3.19Å; K313-N317 PolarHBondContact O-N 3.25Å; K313-N317 VanDerWaalsContact O-N 3.08Å; M314-N317 PolarHBondContact O-N 3.49Å
318E80.4Confident86.7Confident108 Ų10865.9 Ų65.951%0.50534%0.338SS..SBendtrans-118.9149.6-172.2-60.9174.1-164.600112M314 V320M314-E318 WeakPolarHBondContact CG-OE2 3.36Å; M314-E318 WeakPolarHBondContact O-CB 3.32Å; M314-E318 PolarHBondContact O-N 3.28Å; E318-V320 HydrophobicContact CB-CG2 4.42Å; E318-V320 PolarHBondContact O-N 3.18Å
319V83.6Confident86.6Confident75 Ų7568.4 Ų68.446%0.45535%0.353SS..  trans-81.5107.8167.3177.40000107.3
320V80.7Confident86.3Confident1 Ų165 Ų651%0.00634%0.337CS..BIsolated β-bridgetrans-95.4124.8-174.3-179.20000109.2L276 M314 F315 E318 G322 Y323 I325L276-V320 HydrophobicContact CD1-CG1 3.53Å; L276-V320 HydrophobicContact CD2-CG1 4.43Å; M314-V320 HydrophobicContact CE-CG1 4.42Å; M314-V320 HydrophobicContact CE-CG2 4.19Å; M314-V320 HydrophobicContact CG-CG2 4.43Å; F315-V320 HydrophobicContact CD1-CB 4.01Å; F315-V320 HydrophobicContact CD1-CG1 4.31Å; F315-V320 HydrophobicContact CD1-CG2 3.62Å; F315-V320 HydrophobicContact CE1-CB 3.91Å; F315-V320 HydrophobicContact CE1-CG1 3.72Å; F315-V320 HydrophobicContact CE1-CG2 3.89Å; F315-V320 HydrophobicContact CG-CG2 4.49Å; E318-V320 HydrophobicContact CB-CG2 4.42Å; E318-V320 PolarHBondContact O-N 3.18Å; V320-G322 PolarHBondContact O-N 3.31Å; V320-Y323 PolarHBondContact N-O 2.94Å; V320-Y323 PolarHBondContact O-N 2.74Å; V320-I325 HydrophobicContact CB-CD1 4.35Å
321M81.7Confident85.5Confident28 Ų2866.5 Ų66.514%0.13834%0.342CS..THydrogen-bonded Turntrans57.130.1-177.8-60.2-175.9-107.500114.1I268 R272 I273 L276 Y323I268-M321 HydrophobicContact CD1-CB 4.28Å; I268-M321 HydrophobicContact CG2-CE 3.46Å; I268-M321 VanDerWaalsContact CG2-CE 3.46Å; I268-M321 HydrophobicContact CG2-SD 3.57Å; I268-M321 VanDerWaalsContact CG2-SD 3.57Å; R272-M321 HydrophobicContact CB-CE 4.46Å; R272-M321 HydrophobicContact CB-SD 3.85Å; I273-M321 HydrophobicContact CB-CE 4.47Å; I273-M321 HydrophobicContact CG1-CE 3.83Å; L276-M321 HydrophobicContact CD1-CE 3.75Å; L276-M321 HydrophobicContact CG-CE 4.26Å; M321-Y323 VanDerWaalsContact C-N 3.3Å; M321-Y323 WeakPolarHBondContact O-CD2 3.33Å
322G81.2Confident84.1Confident59 Ų5968.1 Ų68.161%0.60835%0.353SS*.THydrogen-bonded Turntrans82.90.8-177.700000114.6V320V320-G322 PolarHBondContact O-N 3.31Å
323Y83.5Confident82.4Confident93 Ų9371 Ų7137%0.36538%0.375SS..BIsolated β-bridgetrans-121.7135.2-179.9-60.8-87.9000112P265 I268 V320 M321 I325P265-Y323 HydrophobicContact CG-CD1 3.73Å; P265-Y323 HydrophobicContact CG-CE1 4.07Å; P265-Y323 HydrophobicContact CG-CG 4Å; I268-Y323 HydrophobicContact CD1-CD2 3.63Å; I268-Y323 HydrophobicContact CD1-CE2 4.28Å; I268-Y323 HydrophobicContact CD1-CG 4.22Å; I268-Y323 HydrophobicContact CG1-CD2 4.16Å; I268-Y323 HydrophobicContact CG1-CE2 4.31Å; V320-Y323 PolarHBondContact N-O 2.94Å; V320-Y323 PolarHBondContact O-N 2.74Å; M321-Y323 VanDerWaalsContact C-N 3.3Å; M321-Y323 WeakPolarHBondContact O-CD2 3.33Å; Y323-I325 PolarHBondContact O-N 3.08Å; Y323-I325 VanDerWaalsContact O-N 3.12Å
324P83.5Confident80.7Confident112 Ų11268.3 Ų68.373%0.72737%0.374SS*.  trans-73.7101.6169.829-31.6000109.4
325I87Confident79Confident6 Ų673.2 Ų73.23%0.03139%0.392CS..  trans-96.2111.6-176.2-61.3172.1000110.2L261 V264 I268 F315 V320 Y323 C327L261-I325 HydrophobicContact CB-CG2 3.92Å; L261-I325 HydrophobicContact CD1-CG2 4.27Å; L261-I325 HydrophobicContact CD2-CG2 4.24Å; L261-I325 HydrophobicContact CG-CG2 4.37Å; V264-I325 HydrophobicContact CG2-CG2 3.91Å; I268-I325 HydrophobicContact CD1-CD1 3.94Å; F315-I325 HydrophobicContact CD1-CB 4.11Å; F315-I325 HydrophobicContact CD1-CG2 4.28Å; F315-I325 HydrophobicContact CE1-CD1 4.18Å; V320-I325 HydrophobicContact CB-CD1 4.35Å; Y323-I325 PolarHBondContact O-N 3.08Å; Y323-I325 VanDerWaalsContact O-N 3.12Å; I325-C327 PolarHBondContact O-N 3.34Å
326S86.5Confident77.1Confident58 Ų5881 Ų8141%0.40642%0.421SS..  trans-67.8128.8175.6154.10000111.2K262K262-S326 PolarHBondContact N-O 2.68Å
327C91Very high75.1Confident16 Ų1683.6 Ų83.611%0.10843%0.427CS..EExtended strand (participates in β ladder)trans-119.8154.1177.9740000113.5L259 K260 L261 F312 F315 I325L259-C327 HydrophobicContact CD1-CB 4.13Å; K260-C327 CarbonylContact O-C 3.49Å; K260-C327 WeakPolarHBondContact O-CA 3.39Å; L261-C327 HydrophobicContact CD2-CB 3.67Å; F312-C327 WeakPolarHBondContact CD2-SG 3.42Å; F315-C327 HydrophobicContact CB-CB 3.83Å; I325-C327 PolarHBondContact O-N 3.34Å
328R88.8Confident73.6Confident151 Ų15186.3 Ų86.357%0.5743%0.433SS*.EExtended strand (participates in β ladder)trans-140.7140.5172.6-69.4-162.8-179.8-175.7-2.4110.7K260 K262 W330K260-R328 PolarHBondContact N-O 2.95Å; K260-R328 PolarHBondContact O-N 2.9Å; K262-R328 VanDerWaalsContact NZ-CZ 3.26Å; R328-W330 PolarHBondContact O-N 2.85Å
329L89.5Confident72Confident86 Ų8684.2 Ų84.245%0.4543%0.431SS..EExtended strand (participates in β ladder)trans-59.6125.4169.4-65.4173.6000109.8R308 F312R308-L329 HydrophobicContact CG-CD2 4.06Å; F312-L329 HydrophobicContact CB-CD2 4.29Å; F312-L329 HydrophobicContact CD2-CD2 3.99Å; F312-L329 HydrophobicContact CD2-CG 4.01Å; F312-L329 HydrophobicContact CE2-CG 4.15Å; F312-L329 HydrophobicContact CG-CD2 4.13Å; F312-L329 HydrophobicContact CG-CG 4.44Å
330W83.2Confident70.4Confident67 Ų6786.9 Ų86.925%0.25444%0.438SS..EExtended strand (participates in β ladder)trans-100.1131.8177.2-175.189.3000109.6P252 G258 K260 F299 F301 R328 P332P252-W330 HydrophobicContact CG-CH2 4.45Å; G258-W330 PolarHBondContact O-N 3.36Å; K260-W330 HydrophobicContact CB-CB 4.14Å; F299-W330 AromaticContact CD1-CD1 3.69Å; F299-W330 HydrophobicContact CD1-CG 4.06Å; F299-W330 AromaticContact CD1-NE1 3.87Å; F299-W330 AromaticContact CE1-CD1 3.46Å; F299-W330 VanDerWaalsContact CE1-CD1 3.46Å; F299-W330 HydrophobicContact CE1-CG 4.27Å; F299-W330 AromaticContact CE1-NE1 3.57Å; F301-W330 HydrophobicContact CD1-CZ3 4.4Å; F301-W330 AromaticContact CE1-CE3 3.84Å; F301-W330 HydrophobicContact CE1-CE3 3.84Å; F301-W330 HydrophobicContact CE1-CH2 4.05Å; F301-W330 AromaticContact CE1-CZ3 3.55Å; F301-W330 HydrophobicContact CE1-CZ3 3.55Å; F301-W330 HydrophobicContact CZ-CZ3 4.43Å; R328-W330 PolarHBondContact O-N 2.85Å; W330-P332 HydrophobicContact CE3-CG 4.36Å; W330-P332 HydrophobicContact CH2-CB 4.12Å; W330-P332 HydrophobicContact CH2-CG 3.92Å; W330-P332 HydrophobicContact CZ3-CB 4.24Å; W330-P332 HydrophobicContact CZ3-CG 3.56Å
331V73.5Confident68.8Low66 Ų6690.3 Ų90.340%0.446%0.459SS..  trans-127.8129.9177.8-172.90000107.5T333 R335V331-T333 PolarHBondContact O-N 2.88Å; V331-R335 HydrophobicContact CG1-CB 3.7Å
332P62.9Low67.1Low34 Ų3495.6 Ų95.622%0.22148%0.481CS..  trans-52.5137.9175.3-22.228000111W330 S334 R335 R336W330-P332 HydrophobicContact CE3-CG 4.36Å; W330-P332 HydrophobicContact CH2-CB 4.12Å; W330-P332 HydrophobicContact CH2-CG 3.92Å; W330-P332 HydrophobicContact CZ3-CB 4.24Å; W330-P332 HydrophobicContact CZ3-CG 3.56Å; P332-S334 PolarHBondContact O-N 3.28Å; P332-R335 PolarHBondContact O-N 3.25Å; P332-R336 PolarHBondContact O-N 3.26Å
333T56Low65.5Low116 Ų116100 Ų10071%0.71248%0.484SS*.Hα-helixtrans-54.7-27.9-179.430.80000113.3V331 R336V331-T333 PolarHBondContact O-N 2.88Å; T333-R336 WeakPolarHBondContact O-CB 3.4Å; T333-R336 PolarHBondContact O-N 3.47Å
334S54.7Low63.9Low84 Ų84100.7 Ų100.759%0.58749%0.493SS*.Hα-helixtrans-64.4-35.6174.657.90000113.7P332P332-S334 PolarHBondContact O-N 3.28Å
335R51.4Low62.2Low116 Ų116100.9 Ų100.944%0.43848%0.484SS..Hα-helixtrans-77.4-26.3174.9-81.9-170.5-163-172.36.5112.8V331 P332 R337 K338 S339V331-R335 HydrophobicContact CG1-CB 3.7Å; P332-R335 PolarHBondContact O-N 3.25Å; R335-R337 VanDerWaalsContact C-N 3.26Å; R335-R337 PolarHBondContact O-N 3.22Å; R335-K338 PolarHBondContact O-N 3.33Å; R335-S339 PolarHBondContact O-N 2.85Å; R335-S339 PolarHBondContact O-OG 3.39Å
336R50.9Low60.4Low169 Ų169106.1 Ų106.164%0.63851%0.508SS*.Hα-helixtrans-62.6-34.2179-131.9178.4-1711770.6112.1P332 T333 S339 Q340P332-R336 PolarHBondContact O-N 3.26Å; T333-R336 WeakPolarHBondContact O-CB 3.4Å; T333-R336 PolarHBondContact O-N 3.47Å; R336-S339 PolarHBondContact O-OG 2.88Å; R336-Q340 PolarHBondContact O-N 3.37Å
337R45.6Very low58.5Low203 Ų203110.4 Ų110.477%0.76652%0.519SS*.Hα-helixtrans-69.8-44.5173.7-70.7-165.2174.7-169-1.3112.5R335 S339 Q340 T341R335-R337 VanDerWaalsContact C-N 3.26Å; R335-R337 PolarHBondContact O-N 3.22Å; R337-S339 PolarHBondContact O-N 3.04Å; R337-Q340 PolarHBondContact O-N 3.12Å; R337-T341 PolarHBondContact O-N 3.1Å; R337-T341 VanDerWaalsContact O-N 3.13Å; R337-T341 PolarHBondContact O-OG1 3.48Å
338K49.7Very low56.5Low164 Ų164113.7 Ų113.771%0.71354%0.539SS*.Hα-helixtrans-64.4-36.2179-75-171.5176.2-173.80113.8R335 T341 K342R335-K338 PolarHBondContact O-N 3.33Å; K338-T341 WeakPolarHBondContact CA-OG1 3.37Å; K338-T341 PolarHBondContact O-OG1 2.98Å; K338-K342 PolarHBondContact O-N 3.1Å
339S47.7Very low54.4Low65 Ų65111.3 Ų111.346%0.45554%0.537SS..Hα-helixtrans-75.5-28.6179.134.90000112.7R335 R336 R337 K343R335-S339 PolarHBondContact O-N 2.85Å; R335-S339 PolarHBondContact O-OG 3.39Å; R336-S339 PolarHBondContact O-OG 2.88Å; R337-S339 PolarHBondContact O-N 3.04Å; S339-K343 WeakPolarHBondContact O-CB 3.45Å; S339-K343 PolarHBondContact O-N 2.89Å; S339-K343 VanDerWaalsContact O-N 3.08Å
340Q48.8Very low52.4Low130 Ų130112.4 Ų112.461%0.60754%0.544SS*.Hα-helixtrans-71.4-39.5170.1-76.9-177.3-23.400112.3R336 R337 K343 I344R336-Q340 PolarHBondContact O-N 3.37Å; R337-Q340 PolarHBondContact O-N 3.12Å; Q340-K343 PolarHBondContact O-N 3Å; Q340-I344 WeakPolarHBondContact O-CD1 3.2Å; Q340-I344 VanDerWaalsContact O-CG1 3.24Å; Q340-I344 WeakPolarHBondContact O-CG1 3.28Å; Q340-I344 PolarHBondContact O-N 2.7Å; Q340-I344 VanDerWaalsContact O-N 3.13Å
341T47Very low50.6Low73 Ų73114.2 Ų114.245%0.44856%0.563SS.*Hα-helixtrans-63.9-42.3172.6190000112.1R337 K338 K343 I344 E345R337-T341 PolarHBondContact O-N 3.1Å; R337-T341 VanDerWaalsContact O-N 3.13Å; R337-T341 PolarHBondContact O-OG1 3.48Å; K338-T341 WeakPolarHBondContact CA-OG1 3.37Å; K338-T341 PolarHBondContact O-OG1 2.98Å; T341-K343 PolarHBondContact O-N 2.57Å; T341-I344 PolarHBondContact O-N 3.1Å; T341-I344 VanDerWaalsContact O-N 3.14Å; T341-E345 WeakPolarHBondContact O-CG 3.49Å; T341-E345 PolarHBondContact O-N 3.26Å
342K46.7Very low49.2Very low139 Ų139116.3 Ų116.360%0.60458%0.575SS**Hα-helixtrans-62.5-40175.8-119.9-172.5179.2-163.20113.2K338 I344 E345 E346K338-K342 PolarHBondContact O-N 3.1Å; K342-I344 PolarHBondContact O-N 3.44Å; K342-E345 PolarHBondContact O-N 3.11Å; K342-E346 PolarHBondContact O-N 3.47Å
343K47.1Very low48Very low151 Ų151121.7 Ų121.766%0.65760%0.601SS**Hα-helixtrans-69.5-20.9176.5-127.4178.7-175.4-1760113.5S339 Q340 T341 K347S339-K343 WeakPolarHBondContact O-CB 3.45Å; S339-K343 PolarHBondContact O-N 2.89Å; S339-K343 VanDerWaalsContact O-N 3.08Å; Q340-K343 PolarHBondContact O-N 3Å; T341-K343 PolarHBondContact O-N 2.57Å; K343-K347 WeakPolarHBondContact O-CB 3.11Å; K343-K347 WeakPolarHBondContact O-CG 3.41Å
344I50.8Low47Very low108 Ų108122.6 Ų122.655%0.55460%0.602SS**Hα-helixtrans-83.6-39.9172.8-67.8165000109.7Q340 T341 K342 K347 V348Q340-I344 WeakPolarHBondContact O-CD1 3.2Å; Q340-I344 VanDerWaalsContact O-CG1 3.24Å; Q340-I344 WeakPolarHBondContact O-CG1 3.28Å; Q340-I344 PolarHBondContact O-N 2.7Å; Q340-I344 VanDerWaalsContact O-N 3.13Å; T341-I344 PolarHBondContact O-N 3.1Å; T341-I344 VanDerWaalsContact O-N 3.14Å; K342-I344 PolarHBondContact O-N 3.44Å; I344-K347 PolarHBondContact O-N 2.95Å; I344-V348 VanDerWaalsContact O-CG2 3.26Å; I344-V348 WeakPolarHBondContact O-CG2 3.2Å; I344-V348 PolarHBondContact O-N 3.3Å
345E47Very low45.8Very low116 Ų116129.1 Ų129.154%0.54262%0.615SS.*Hα-helixtrans-68.6-40.9177-73.5171.7177.200112.9T341 K342 V348 N349T341-E345 WeakPolarHBondContact O-CG 3.49Å; T341-E345 PolarHBondContact O-N 3.26Å; K342-E345 PolarHBondContact O-N 3.11Å; E345-V348 PolarHBondContact O-N 3.13Å; E345-N349 PolarHBondContact O-N 3.41Å
346E49.3Very low45Very low116 Ų116133 Ų13354%0.54264%0.635SS.*Hα-helixtrans-63.6-42.7172.3-88.8171.9169.200111.6K342 V348 N349 D350K342-E346 PolarHBondContact O-N 3.47Å; E346-V348 VanDerWaalsContact C-N 3.3Å; E346-V348 PolarHBondContact O-N 3.35Å; E346-N349 PolarHBondContact O-N 3.18Å; E346-D350 PolarHBondContact O-N 3.39Å
347K48Very low44.3Very low148 Ų148131.2 Ų131.264%0.64364%0.643SS**Hα-helixtrans-64.5-32.5175.7-82.3-171.1172.2-163.80113.1K343 I344 T351K343-K347 WeakPolarHBondContact O-CB 3.11Å; K343-K347 WeakPolarHBondContact O-CG 3.41Å; I344-K347 PolarHBondContact O-N 2.95Å; K347-T351 WeakPolarHBondContact O-CB 3.38Å; K347-T351 PolarHBondContact O-N 3.2Å; K347-T351 PolarHBondContact O-OG1 3.23Å
348V48.2Very low43.5Very low85 Ų85127.2 Ų127.252%0.51564%0.643SS.*Hα-helixtrans-73.2-34.5175.7171.20000111I344 E345 E346 V352I344-V348 VanDerWaalsContact O-CG2 3.26Å; I344-V348 WeakPolarHBondContact O-CG2 3.2Å; I344-V348 PolarHBondContact O-N 3.3Å; E345-V348 PolarHBondContact O-N 3.13Å; E346-V348 VanDerWaalsContact C-N 3.3Å; E346-V348 PolarHBondContact O-N 3.35Å; V348-V352 VanDerWaalsContact O-CG2 3.31Å; V348-V352 WeakPolarHBondContact O-CG2 3.22Å; V348-V352 PolarHBondContact O-N 3.12Å
349N45.5Very low42.7Very low101 Ų101129.4 Ų129.454%0.5465%0.653SS.*Hα-helixtrans-75.2-38.2178.1-71.1-16.6000112.9E345 E346 T351 V352 L353E345-N349 PolarHBondContact O-N 3.41Å; E346-N349 PolarHBondContact O-N 3.18Å; N349-T351 VanDerWaalsContact C-N 3.27Å; N349-T351 PolarHBondContact O-N 2.93Å; N349-V352 PolarHBondContact O-N 3.38Å; N349-L353 PolarHBondContact O-N 3.18Å
350D45.9Very low41.9Very low110 Ų110131 Ų13159%0.58866%0.664SS**Hα-helixtrans-68.3-27.6176.5-70.9-20.1000112.5E346 V352E346-D350 PolarHBondContact O-N 3.39Å; D350-V352 VanDerWaalsContact C-N 3.34Å
351T46.3Very low40.9Very low105 Ų105131.8 Ų131.864%0.64467%0.672SS**Hα-helixtrans-80.6-15.3177.8-43.20000112.6K347 N349K347-T351 WeakPolarHBondContact O-CB 3.38Å; K347-T351 PolarHBondContact O-N 3.2Å; K347-T351 PolarHBondContact O-OG1 3.23Å; N349-T351 VanDerWaalsContact C-N 3.27Å; N349-T351 PolarHBondContact O-N 2.93Å
352V43.2Very low40.3Very low110 Ų110137.6 Ų137.667%0.66769%0.694SS**Hα-helixtrans-99.4-13.6-179.1175.50000112.6V348 N349 D350V348-V352 VanDerWaalsContact O-CG2 3.31Å; V348-V352 WeakPolarHBondContact O-CG2 3.22Å; V348-V352 PolarHBondContact O-N 3.12Å; N349-V352 PolarHBondContact O-N 3.38Å; D350-V352 VanDerWaalsContact C-N 3.34Å
353L39.5Very low39.3Very low146 Ų146138.8 Ų138.876%0.76471%0.706SS**Hα-helixtrans-103.8-3.6177.5-73.5173000115.6N349 Y355N349-L353 PolarHBondContact O-N 3.18Å; L353-Y355 PolarHBondContact O-N 3.44Å
354N33.7Very low38.6Very low136 Ų136139.9 Ų139.973%0.72771%0.714SS**  trans-102.866.5176-92.3-16.5000112.8
355Y29.4Very low37.6Very low220 Ų220142.1 Ų142.186%0.86372%0.722SS**  trans-121.273.8149.9-78.9-84.4000108.3L353L353-Y355 PolarHBondContact O-N 3.44Å
356K36Very low37Very low198 Ų198144.4 Ų144.486%0.86174%0.737SS**  trans-129.3128.3155.9-92.3-174.8176.8-178.70109
357V34.5Very low35.8Very low132 Ų132142.7 Ų142.780%0.875%0.751SS**  trans-47.1141.7-177.61780000112.2
358P29.8Very low35.2Very low119 Ų119142.1 Ų142.177%0.77375%0.754SS**  trans-72.9136.8-179.930.5-32.7000110.7
359K33Very low34.3Very low209 Ų209147.3 Ų147.391%0.90977%0.769SS**  trans-107.7138161.2-79.3-173.7176.9-1770109.3
360S30.2Very low33.4Very low98 Ų98153.6 Ų153.669%0.68579%0.785SS**  trans-72.4155.6-17445.90000114.1
361N28.8Very low32.8Very low147 Ų147155.5 Ų155.579%0.78680%0.796SS**  trans78109.6161-54.3-11.1000116.6
362E33.2Very low32Very low196 Ų196159.9 Ų159.992%0.91681%0.811SS**  -176.8140.8104.7-97.4175.7-176.200111.7
363L26.4Very low31.4Very low164 Ų164158 Ų15886%0.85981%0.814SS**  trans-71137.9176.8-68.6144.3000110.2
364H33.1Very low31.1Very low174 Ų174161.2 Ų161.281%0.80682%0.822SS**  -171.8146.8120.1-116.8-89.2000113.3
365E29.2Very low30.8Very low155 Ų155161.4 Ų161.472%0.72483%0.832SS**  trans-58.9152.2-175.4-56.8165.9133.500114.4
366N33Very low30.7Very low163 Ų163154.1 Ų154.187%0.87283%0.825SS**  trans-156.897.4148.2-91.3-40.6000110.5
367G25.2Very low30.4Very low80 Ų80152.8 Ų152.883%0.82583%0.827SS**  trans-82.5122162.900000110.2
368I34.9Very low30.3Very low137 Ų137152.4 Ų152.470%0.70382%0.824SS**  trans-107.4109171.2-61.5177.2000108.8
369K28.9Very low30.3Very low194 Ų194151.4 Ų151.484%0.84382%0.82SS**PPolyproline II helixtrans-85.4121.9172.4-165.3176.7-175.21770108.7
370W28.3Very low30.3Very low232 Ų232147 Ų14788%0.87982%0.816SS**PPolyproline II helixtrans-91.5116.3172.3-70.883.7000109.6
371N31.3Very low30.5Very low151 Ų151147.1 Ų147.181%0.80782%0.817SS**PPolyproline II helixtrans-96.3124.6169-109.7-2.4000109.9
372M29.9Very low31Very low196 Ų196149.6 Ų149.697%0.96682%0.821SS**PPolyproline II helixtrans-82.9134.8169-81.3-118.7-90.400110
373G30.4Very low31.8Very low71 Ų71142.5 Ų142.573%0.73279%0.792SS**  trans-146.992.7179.800000113.3
374K32.8Very low33.1Very low213 Ų213143.9 Ų143.993%0.92679%0.791SS**  trans58122.9139.1-64.4-177.1178.1179.60121.3
375C27.4Very low34.2Very low140 Ų140142.1 Ų142.195%0.94678%0.781SS**  trans-64.5142.8163-610000112.3
376G28.4Very low35.8Very low68 Ų68136.6 Ų136.670%0.70176%0.756SS**  trans-147124.1168.600000111.3
377N28.9Very low36.8Very low169 Ų169134.9 Ų134.990%0.90475%0.751SS**  trans17116.5160.2-64.5-14.9000119.8
378V32.2Very low38.4Very low124 Ų124133.1 Ų133.175%0.75272%0.721SS**  trans-94.8101.6168.6-176.30000109.3
379S31.4Very low38.8Very low98 Ų98135.3 Ų135.369%0.68573%0.728SS**  trans-74.1139.6157167.30000108.9S381S379-S381 VanDerWaalsContact C-N 3.3Å; S379-S381 PolarHBondContact O-N 3.04Å
380S31.5Very low39.3Very low117 Ų117131.6 Ų131.682%0.81873%0.727SS**  trans-69.179.9-179.356.70000111.4
381S36.1Very low39.8Very low100 Ų100126.7 Ų126.770%0.69972%0.718SS**PPolyproline II helixtrans-97.1127.6167.263.60000109.8S379S379-S381 VanDerWaalsContact C-N 3.3Å; S379-S381 PolarHBondContact O-N 3.04Å
382F38.7Very low39.9Very low199 Ų199123 Ų12387%0.87372%0.715SS**PPolyproline II helixtrans-48.2133.6166.3-77.4-93000109.8K384F382-K384 PolarHBondContact O-N 3.23Å
383P49.8Very low39.9Very low47 Ų47126.7 Ų126.731%0.30573%0.73SS.*PPolyproline II helixtrans-62.4130.5-179.224.3-31.6000109.6L276 M314 K385L276-P383 HydrophobicContact CD2-CB 4.23Å; L276-P383 HydrophobicContact CD2-CG 3.74Å; M314-P383 HydrophobicContact CE-CB 4.34Å; P383-K385 PolarHBondContact O-N 3.3Å
384K53.1Low40.4Very low193 Ų193129.5 Ų129.584%0.83973%0.73SS**PPolyproline II helixtrans-58.8124.6174-72.5178.5179.6175.60108.5F382 L386F382-K384 PolarHBondContact O-N 3.23Å; K384-L386 PolarHBondContact O-N 3.15Å
385K56.5Low40.8Very low138 Ų138125.1 Ų125.160%0.672%0.719SS**PPolyproline II helixtrans-56.3131.4174.3-167.5174.2-175177.30108.8P383 V387P383-K385 PolarHBondContact O-N 3.3Å; K385-V387 PolarHBondContact O-N 3.38Å; K385-V387 VanDerWaalsContact O-N 3.12Å
386L63.9Low41.5Very low38 Ų38124.2 Ų124.220%0.19971%0.707CS.*  trans-66.8112.1175.8-102.4161.1000108.7L276 F277 P278 A310 M314 K384 F388L276-L386 PolarHBondContact O-N 3.46Å; F277-L386 HydrophobicContact CD1-CD1 4.11Å; F277-L386 HydrophobicContact CE1-CD1 3.75Å; P278-L386 VanDerWaalsContact CD-O 3.28Å; P278-L386 WeakPolarHBondContact CD-O 3.35Å; P278-L386 WeakPolarHBondContact CG-O 3.32Å; A310-L386 HydrophobicContact CB-CD2 4.38Å; M314-L386 HydrophobicContact CB-CD1 4.38Å; M314-L386 HydrophobicContact SD-CD1 3.55Å; M314-L386 VanDerWaalsContact SD-CD1 3.55Å; M314-L386 HydrophobicContact SD-CG 4.28Å; K384-L386 PolarHBondContact O-N 3.15Å; L386-F388 HydrophobicContact CB-CE2 4.37Å; L386-F388 HydrophobicContact CB-CZ 4.32Å; L386-F388 HydrophobicContact CD1-CZ 4.39Å; L386-F388 HydrophobicContact CD2-CE1 4.31Å; L386-F388 HydrophobicContact CD2-CZ 4.39Å
387V52.4Low42.3Very low127 Ų127127.5 Ų127.577%0.7771%0.707SS**PPolyproline II helixtrans-90.2122.5169.2-177.40000107.2K385K385-V387 PolarHBondContact O-N 3.38Å; K385-V387 VanDerWaalsContact O-N 3.12Å
388F59.9Low43.1Very low44 Ų44124.9 Ų124.919%0.19370%0.695CS.*PPolyproline II helixtrans-97.6124.7171.7-67-66.7000107.8P278 S281 Q307 A310 L386 S390P278-F388 HydrophobicContact CG-CD2 3.81Å; P278-F388 HydrophobicContact CG-CE2 4.3Å; S281-F388 WeakPolarHBondContact OG-CD2 3.36Å; S281-F388 WeakPolarHBondContact OG-CE2 3.41Å; Q307-F388 HydrophobicContact CB-CE1 3.96Å; Q307-F388 HydrophobicContact CB-CE2 4.2Å; Q307-F388 HydrophobicContact CB-CZ 3.78Å; Q307-F388 HydrophobicContact CG-CD1 3.84Å; Q307-F388 HydrophobicContact CG-CD2 4.02Å; Q307-F388 HydrophobicContact CG-CE1 3.8Å; Q307-F388 HydrophobicContact CG-CE2 3.97Å; Q307-F388 HydrophobicContact CG-CG 3.96Å; Q307-F388 HydrophobicContact CG-CZ 3.86Å; A310-F388 HydrophobicContact CB-CE1 3.75Å; A310-F388 HydrophobicContact CB-CZ 4.38Å; L386-F388 HydrophobicContact CB-CE2 4.37Å; L386-F388 HydrophobicContact CB-CZ 4.32Å; L386-F388 HydrophobicContact CD1-CZ 4.39Å; L386-F388 HydrophobicContact CD2-CE1 4.31Å; L386-F388 HydrophobicContact CD2-CZ 4.39Å; F388-S390 PolarHBondContact O-N 3.31Å
389E42.4Very low43.8Very low183 Ų183125 Ų12586%0.85569%0.691SS**PPolyproline II helixtrans-62129.1169-71.9175.6166.800108.9D391E389-D391 PolarHBondContact O-N 2.86Å
390S40.1Very low44.7Very low116 Ų116126.9 Ų126.981%0.81169%0.691SS**  trans-77.6111.1173.8-54.10000107.8F388 G392F388-S390 PolarHBondContact O-N 3.31Å; S390-G392 PolarHBondContact O-N 3.48Å
391D38.6Very low45.8Very low129 Ų129127.7 Ų127.769%0.6968%0.682SS**  trans-61.5121.4163.2-51.4-53.7000107.3K304 E389K304-D391 IonicContact NZ-OD2 3.08Å; K304-D391 PolarHBondContact NZ-OD2 3.44Å; E389-D391 PolarHBondContact O-N 2.86Å
392G33.6Very low46.6Very low73 Ų73130 Ų13075%0.75368%0.68SS**  trans-55.5152.7179.900000113S390S390-G392 PolarHBondContact O-N 3.48Å
393E29.6Very low47.3Very low273 Ų273123.7 Ų123.7100%1.27666%0.663SS**  trans-50.70178.5-73.4-178.414200114.6

Retrieved 393 of 393 residues in 637.2 ms (Link to these results)