A0A087XBZ6_POEFO Loading...

E3 ubiquitin-protein ligase Hakai

AlphaFold DB , UniProt , Accession A0A087XBZ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 477 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.1Very low40.1Very low249 Ų249148.5 Ų148.5100%1.22787%0.871SS**  0129.50-74.1157.6177.500106.1
2D40.3Very low39.8Very low141 Ų141142.4 Ų142.475%0.75486%0.863SS**  trans-85.3142.7-163.6-172.9-87.2000112.5
3Q41.3Very low39.4Very low191 Ų191144.3 Ų144.389%0.89387%0.866SS**  trans-174.2111146.3-104.3144.7102.600109.4
4G37.8Very low38.8Very low72 Ų72139.1 Ų139.174%0.74286%0.856SS**  trans-75.7157.7172.500000112.6
5A41Very low38.8Very low108 Ų108139.3 Ų139.389%0.89387%0.865SS**  trans-109.2126.6178.900000111
6E42.8Very low38.3Very low179 Ų179135.8 Ų135.884%0.83687%0.865SS**  trans-147.2125.4172.358.6-177.19400110.4
7N41.3Very low37.9Very low159 Ų159133.9 Ų133.985%0.8586%0.857SS**  trans-178.6108.3144.6-113.1-97.9000110.2
8D36.5Very low37.9Very low155 Ų155134.9 Ų134.983%0.82985%0.853SS**  trans-119.7129166.3-91.9-78.1000108.3
9L41Very low37.6Very low173 Ų173133.5 Ų133.591%0.90685%0.848SS**  trans163.4105.7148.1-92.1178.9000110.7
10P47.4Very low37.5Very low125 Ų125134.2 Ų134.281%0.81285%0.845SS**  trans-100.4148.7163.935.4-29.6000112
11G34.5Very low37.5Very low82 Ų82135.8 Ų135.885%0.84585%0.847SS**  trans-108.9118.5175.800000113.8
12G36.9Very low37.7Very low75 Ų75129.6 Ų129.677%0.77382%0.819SS**  82.7116.2117.500000121.7
13D33.8Very low37.6Very low167 Ų167128 Ų12889%0.89381%0.814SS**  trans-159145.415448.8-66.2000114.1
14G31.5Very low37.8Very low71 Ų71128.7 Ų128.773%0.73281%0.808SS**  trans92.5101.713900000123.6
15S38.6Very low38.3Very low142 Ų142135.5 Ų135.599%0.99381%0.811SS**  trans67.4140.9140.8-900000123.4
16G30.5Very low38.7Very low83 Ų83141 Ų14186%0.85681%0.809SS**  trans164.2115.1163.900000116
17S32.4Very low39.1Very low104 Ų104139.6 Ų139.673%0.72781%0.806SS**  trans-98.1138.2-169.3166.20000115.7
18L37.5Very low39Very low152 Ų152137.1 Ų137.180%0.79680%0.798SS**  trans56131.3143.7-65.3172.7000124.1
19S33.3Very low39.5Very low108 Ų108136.8 Ų136.876%0.75580%0.795SS**  86.5140.1128.562.30000123.5
20D33.8Very low39.8Very low148 Ų148137.2 Ų137.279%0.79179%0.79SS**  trans81.2108155.3-123.7-87.4000121.4
21L38.8Very low39.7Very low167 Ų167139.1 Ų139.187%0.87479%0.792SS**  trans-159.2105150.2-116.5159000110.5V23L21-V23 PolarHBondContact O-N 3.49Å
22D41.3Very low40Very low120 Ų120143.1 Ų143.164%0.64279%0.793SS**  trans-61.5121.7179.9-169.1-33.4000112.6R24D22-R24 WeakPolarHBondContact OD1-CB 3.06Å; D22-R24 PolarHBondContact OD1-N 3.45Å
23V37Very low40.1Very low107 Ų107144.9 Ų144.965%0.64879%0.794SS**  trans-135.879.2155.9-168.10000110.6L21 R25L21-V23 PolarHBondContact O-N 3.49Å; V23-R25 HydrophobicContact CG1-CG 3.74Å; V23-R25 PolarHBondContact O-N 3.01Å
24R46.8Very low40.8Very low206 Ų206146.2 Ų146.278%0.77779%0.792SS**  trans-59.471.1166.2-165.2175.9-176-161.13.9113D22 R26D22-R24 WeakPolarHBondContact OD1-CB 3.06Å; D22-R24 PolarHBondContact OD1-N 3.45Å; R24-R26 PolarHBondContact O-N 3.46Å
25R48.8Very low41.3Very low214 Ų214148 Ų14881%0.80879%0.79SS**  trans-65.9103.7174.9-69.5-160.4-173.9115.24.6110.8V23 I27V23-R25 HydrophobicContact CG1-CG 3.74Å; V23-R25 PolarHBondContact O-N 3.01Å; R25-I27 PolarHBondContact O-N 3.44Å
26R48.2Very low41.3Very low223 Ų223147 Ų14784%0.84278%0.781SS**  trans-62.9117.2173.8-55.8178.3-169.9-1432.8109.3R24 P28R24-R26 PolarHBondContact O-N 3.46Å; R26-P28 WeakPolarHBondContact O-CD 3.39Å
27I50.7Low41.7Very low150 Ų150150.9 Ų150.977%0.76978%0.78SS**  trans-79117.9171.2-57171.7000107.7R25 I29R25-I27 PolarHBondContact O-N 3.44Å; I27-I29 PolarHBondContact O-N 3.38Å; I27-I29 VanDerWaalsContact O-N 3.14Å
28P40.1Very low42.3Very low107 Ų107156.9 Ų156.970%0.69579%0.787SS**  trans-75103.9174.129.6-32.2000110R26 K30R26-P28 WeakPolarHBondContact O-CD 3.39Å; P28-K30 PolarHBondContact O-N 2.92Å
29I46.3Very low42.3Very low149 Ų149154.3 Ų154.376%0.76478%0.782SS**  trans-69.2101.5171.4-61.1169.3000108.2I27 L31I27-I29 PolarHBondContact O-N 3.38Å; I27-I29 VanDerWaalsContact O-N 3.14Å; I29-L31 PolarHBondContact O-N 3.27Å
30K47.7Very low42.7Very low182 Ų182158.2 Ų158.279%0.79179%0.785SS**  trans-73.8109.8168.3-71.6-177.4176.8179.90108.8P28 L32P28-K30 PolarHBondContact O-N 2.92Å; K30-L32 PolarHBondContact O-N 3.37Å
31L45.7Very low43.1Very low164 Ų164156.6 Ų156.686%0.85978%0.783SS**  trans-61.3114.2168.5-79.4159.3000109.4I29 S33I29-L31 PolarHBondContact O-N 3.27Å; L31-S33 PolarHBondContact O-N 3.06Å
32L40.9Very low43.4Very low166 Ų166154.3 Ų154.387%0.86978%0.778SS**  trans-72111168.4-110.267000109.1K30K30-L32 PolarHBondContact O-N 3.37Å
33S38.9Very low43Very low112 Ų112155 Ų15578%0.78379%0.789SS**PPolyproline II helixtrans-68.3138.4169.340.10000110.5L31L31-S33 PolarHBondContact O-N 3.06Å
34K49.1Very low42.9Very low196 Ų196161.2 Ų161.285%0.85280%0.801SS**PPolyproline II helixtrans-71.3131177.8-69.7143175.6172.50109.8
35P40.6Very low42.4Very low108 Ų108159.4 Ų159.470%0.70181%0.805SS**PPolyproline II helixtrans-72.4140.4171.529.6-33.3000110.7L37P35-L37 PolarHBondContact O-N 2.94Å
36P38.9Very low41.8Very low122 Ų122158.1 Ų158.179%0.79281%0.808SS**  trans-79.6104.9177.130.9-32.6000110.8R38P36-R38 VanDerWaalsContact C-N 3.35Å; P36-R38 PolarHBondContact O-N 2.77Å
37L39Very low41.2Very low163 Ų163158.9 Ų158.985%0.85381%0.811SS**  trans-72.987.5173-77.6173.8000111.4P35 S39P35-L37 PolarHBondContact O-N 2.94Å; L37-S39 PolarHBondContact O-N 2.93Å
38R44.8Very low40.4Very low231 Ų231157.3 Ų157.387%0.87281%0.81SS**  trans-84.192.3166.4176.6-179.8158.2135.6-9.2109.7P36P36-R38 VanDerWaalsContact C-N 3.35Å; P36-R38 PolarHBondContact O-N 2.77Å
39S37.7Very low40.1Very low97 Ų97156 Ų15668%0.67882%0.816SS**  trans-144111.1167.846.10000110.2L37L37-S39 PolarHBondContact O-N 2.93Å
40K41.8Very low39.4Very low191 Ų191157.2 Ų157.283%0.8382%0.822SS**PPolyproline II helixtrans-76.5132.8-179.4-63.9173.1174.6-178.70110.2
41P41.8Very low38.9Very low114 Ų114159.4 Ų159.474%0.7483%0.826SS**PPolyproline II helixtrans-74.1152.916131.6-32.6000110.7
42P44.6Very low38.3Very low119 Ų119157.6 Ų157.677%0.77382%0.824SS**PPolyproline II helixtrans-71151.6177.229.8-34.7000111.9R44P42-R44 PolarHBondContact O-N 2.98Å
43P34.4Very low37.7Very low133 Ų133155.7 Ų155.786%0.86482%0.822SS**PPolyproline II helixtrans-73126.4-175.929.5-34.1000111.7
44R34.8Very low37.6Very low238 Ų238159.3 Ų159.390%0.89882%0.824SS**PPolyproline II helixtrans-91.6140.9169.1-154.7172.1-165.4150.43.7110P42P42-R44 PolarHBondContact O-N 2.98Å
45I35.9Very low36.6Very low168 Ų168155.6 Ų155.686%0.86282%0.82SS**PPolyproline II helixtrans-56.5134.8-171-66.5155.1000112.4
46Q36.9Very low36.2Very low187 Ų187158.2 Ų158.287%0.87482%0.823SS**PPolyproline II helixtrans-98.1142.3171.5-69.5-175.166.400111.7
47R33.6Very low36.2Very low240 Ų240158.4 Ų158.491%0.90682%0.824SS**  trans-161.7158.2155.4-128.1-170.3-173-172.63.4110.1
48P35.6Very low35.8Very low116 Ų116154 Ų15475%0.75382%0.818SS**  -108.8155.1-8035.4-27.6000111.8
49G32.3Very low35.4Very low79 Ų79151.1 Ų151.181%0.81482%0.815SS**  trans-84.1175.1-172.400000116
50I33Very low35.1Very low175 Ų175153.5 Ų153.590%0.89782%0.82SS**  trans-113144.2163.7-62.5178.7000107.8
51R36.4Very low35Very low229 Ų229150.8 Ų150.886%0.86481%0.814SS**PPolyproline II helixtrans-73.8153.7-167.7-75.3175-77.5-145.3-4.5113.7
52P33Very low34.9Very low126 Ų126153.6 Ų153.682%0.81882%0.815SS**PPolyproline II helixtrans-79.6147.3171.633.6-34.4000111.9
53C28.9Very low34.1Very low125 Ų125157.8 Ų157.885%0.84582%0.821SS**PPolyproline II helixtrans-102.2136.5165.7-72.20000110.2
54K36.8Very low34Very low188 Ų188158.1 Ų158.182%0.81782%0.816SS**PPolyproline II helixtrans-62.1152.6167.4-95.7-168.2164-162.70110.7
55P28.6Very low33.9Very low119 Ų119156.7 Ų156.777%0.77382%0.816SS**  -141.5162.6103.537.7-24.5000115
56E31.3Very low33.7Very low162 Ų162157.7 Ų157.776%0.75782%0.815SS**  trans-139.5161.8163.2-70.6-86.2133.400105.6
57P39.9Very low33.4Very low126 Ų126157.1 Ų157.182%0.81881%0.812SS**  -111.9169.8-53.937.4-26.1000110.3
58G30.6Very low33.3Very low70 Ų70151.7 Ų151.772%0.72280%0.797SS**  trans-170.2140175.700000112.3
59E35.4Very low33.1Very low172 Ų172155 Ų15580%0.80480%0.802SS**  trans-81.9173.8-168.757-118.661.900117.3
60D32.3Very low33.2Very low146 Ų146158.1 Ų158.178%0.78179%0.789SS**  trans69.7121.3159.187-92.6000124.2
61D38.7Very low33.1Very low135 Ų135159.3 Ų159.372%0.72279%0.789SS**  trans42.3140147.5-138.9-119.7000124.3
62K39.4Very low33Very low173 Ų173153.5 Ų153.575%0.75277%0.774SS**  trans67.898.1167.4-77.3160.3-179.4170.70120.5
63F27.3Very low33Very low206 Ų206153.8 Ų153.890%0.90478%0.778SS**  trans-125123137.8-85.9-104.2000106.4
64N32.4Very low33.3Very low141 Ų141152.1 Ų152.175%0.75477%0.767SS**  cis57.476.737.3-149-43.9000112.9
65F32.8Very low33.5Very low207 Ų207149.5 Ų149.591%0.90877%0.767SS**PPolyproline II helixtrans-85.6124170.9-147.2-88.4000110Q67F65-Q67 PolarHBondContact O-N 2.77Å
66K32.7Very low34.2Very low190 Ų190153.2 Ų153.283%0.82677%0.771SS**PPolyproline II helixtrans-67.8124.3-166.9-151.7-176.1-178.8-169.50111.6
67Q31.2Very low34.2Very low174 Ų174149.5 Ų149.581%0.81377%0.768SS**PPolyproline II helixtrans-69.4158.6163.6-178.4174.3-4.500110.1F65F65-Q67 PolarHBondContact O-N 2.77Å
68E30.2Very low34.2Very low127 Ų127147.2 Ų147.259%0.59377%0.767SS**  trans84.291.5167.5-156.3165.3135.600117.1R70E68-R70 HydrophobicContact CG-CB 3.77Å; E68-R70 HydrophobicContact CG-CG 4.36Å; E68-R70 WeakPolarHBondContact OE1-CD 3.36Å; E68-R70 IonicContact OE1-CZ 3.94Å; E68-R70 IonicContact OE1-NE 3.4Å; E68-R70 IonicContact OE1-NH1 3.6Å; E68-R70 PolarHBondContact OE1-NH1 2.86Å; E68-R70 IonicContact OE2-NH1 2.86Å
69E32.6Very low34.5Very low185 Ų185151.4 Ų151.486%0.86477%0.773SS**  -107.8140.8122.5-169172121.800107.8
70R34.1Very low35Very low144 Ų144149 Ų14954%0.54377%0.769SS.*  trans-124.8106.4-149.6-177.8-171.5-176.5131-8.8109.9E68 D72E68-R70 HydrophobicContact CG-CB 3.77Å; E68-R70 HydrophobicContact CG-CG 4.36Å; E68-R70 WeakPolarHBondContact OE1-CD 3.36Å; E68-R70 IonicContact OE1-CZ 3.94Å; E68-R70 IonicContact OE1-NE 3.4Å; E68-R70 IonicContact OE1-NH1 3.6Å; E68-R70 PolarHBondContact OE1-NH1 2.86Å; E68-R70 IonicContact OE2-NH1 2.86Å; R70-D72 WeakPolarHBondContact CD-OD2 3.36Å; R70-D72 WeakPolarHBondContact CG-OD2 3.36Å; R70-D72 IonicContact CZ-OD1 2.61Å; R70-D72 IonicContact CZ-OD2 2.98Å; R70-D72 IonicContact NE-OD1 3.91Å; R70-D72 PolarHBondContact NE-OD1 2.87Å; R70-D72 IonicContact NE-OD2 3.14Å; R70-D72 PolarHBondContact NE-OD2 2.78Å; R70-D72 IonicContact NH2-OD1 3.28Å; R70-D72 PolarHBondContact NH2-OD1 3.2Å; R70-D72 PolarHBondContact O-N 3.4Å
71F30.5Very low35.3Very low201 Ų201152.1 Ų152.188%0.88278%0.776SS**  trans-83.188.4163.5-78.6-81.1000109.1C73F71-C73 PolarHBondContact O-N 3.41Å
72D33.6Very low35.1Very low106 Ų106149.2 Ų149.257%0.56778%0.778SS**  trans-64.699.4169.2-77.2-67000110.1R70R70-D72 WeakPolarHBondContact CD-OD2 3.36Å; R70-D72 WeakPolarHBondContact CG-OD2 3.36Å; R70-D72 IonicContact CZ-OD1 2.61Å; R70-D72 IonicContact CZ-OD2 2.98Å; R70-D72 IonicContact NE-OD1 3.91Å; R70-D72 PolarHBondContact NE-OD1 2.87Å; R70-D72 IonicContact NE-OD2 3.14Å; R70-D72 PolarHBondContact NE-OD2 2.78Å; R70-D72 IonicContact NH2-OD1 3.28Å; R70-D72 PolarHBondContact NH2-OD1 3.2Å; R70-D72 PolarHBondContact O-N 3.4Å
73C34.2Very low35.3Very low132 Ų132146.9 Ų146.989%0.89278%0.784SS**  trans-104.966156.6-172.10000109.1F71F71-C73 PolarHBondContact O-N 3.41Å
74C35.1Very low35.8Very low90 Ų90146 Ų14661%0.60878%0.783SS**  trans-100.7107.8169.9-169.30000110.5
75T40.2Very low36.7Very low134 Ų134150.4 Ų150.482%0.82279%0.789SS**  trans-136.391137.5-56.40000107.2A77T75-A77 PolarHBondContact O-N 3.15Å
76K43.4Very low37.3Very low197 Ų197152 Ų15286%0.85779%0.789SS**  trans-75.4108.3164-71.6-164.8176.3-1720108.2
77A32.3Very low37.4Very low84 Ų84151.7 Ų151.769%0.69479%0.787SS**  trans-113.5104.9151.400000106.3T75 D79T75-A77 PolarHBondContact O-N 3.15Å; A77-D79 PolarHBondContact O-N 3.04Å
78G38.8Very low38.1Very low77 Ų77149.2 Ų149.279%0.79479%0.787SS**  trans-84.4104168.900000107.7
79D37.4Very low38.5Very low159 Ų159151.4 Ų151.485%0.8580%0.797SS**  trans-131.8147.8167.7-102.4-56.8000111.1A77A77-D79 PolarHBondContact O-N 3.04Å
80V45.6Very low39.3Very low120 Ų120147.9 Ų147.973%0.72779%0.79SS**  trans-113.6124.9-155.5166.70000109.4
81F39.8Very low40.1Very low212 Ų212146.9 Ų146.993%0.9380%0.795SS**  trans68.9139.7179-78.7-118.9000117.2
82G33Very low40.4Very low74 Ų74145.4 Ų145.476%0.76379%0.788SS**  trans157.871175.200000113.5Q84G82-Q84 PolarHBondContact O-N 3.02Å; G82-Q84 VanDerWaalsContact O-N 3.1Å
83S45.2Very low41Very low124 Ų124148.7 Ų148.787%0.86779%0.793SS**  trans-64.2109.4174.5-1770000111
84Q37Very low41.5Very low188 Ų188149 Ų14988%0.87979%0.785SS**  trans-161.6133.7149.9-114.8178.9101.100112G82 R86G82-Q84 PolarHBondContact O-N 3.02Å; G82-Q84 VanDerWaalsContact O-N 3.1Å; Q84-R86 PolarHBondContact O-N 3.41Å
85R51.1Low41.7Very low233 Ų233151 Ų15188%0.87978%0.781SS**  trans-72.1109.4177.6-58.8-180-169.8-118.76.9109.8
86R44.8Very low42.2Very low241 Ų241153.3 Ų153.391%0.90978%0.78SS**PPolyproline II helixtrans-84122.5150-77.7-171.5-175.5163.14.2108.2Q84Q84-R86 PolarHBondContact O-N 3.41Å
87F34.9Very low42.4Very low183 Ų183148.5 Ų148.580%0.80376%0.763SS**PPolyproline II helixtrans-58.3146.6164-73.9-101000109Q89F87-Q89 PolarHBondContact O-N 3.47Å
88P47.3Very low43.4Very low123 Ų123150.1 Ų150.180%0.79976%0.76SS**PPolyproline II helixtrans-58.5125.5167.5-14.327.5000108.2
89Q38.6Very low44.1Very low172 Ų172153.9 Ų153.980%0.80476%0.761SS**PPolyproline II helixtrans-57.2142.2169.5-98.3-176.1-21.700109.1F87 L91F87-Q89 PolarHBondContact O-N 3.47Å; Q89-L91 PolarHBondContact O-N 3.25Å
90P47.7Very low45.4Very low111 Ų111153.9 Ų153.972%0.72176%0.76SS**  trans-62.3106.6169.1-16.129.7000108.5F92P90-F92 PolarHBondContact O-N 3.48Å; P90-F92 VanDerWaalsContact O-N 3.15Å
91L51.3Low45.7Very low123 Ų123151.3 Ų151.364%0.64476%0.757SS**  trans-64.8113.5167.2-65.1174.9000106.8Q89 W93Q89-L91 PolarHBondContact O-N 3.25Å; L91-W93 HydrophobicContact CD1-CZ2 4.11Å; L91-W93 PolarHBondContact O-N 2.95Å
92F37.6Very low46.7Very low170 Ų170150.1 Ų150.175%0.74675%0.754SS**  trans-67.5102.3173.4-100.2-105.5000108.4P90 D94P90-F92 PolarHBondContact O-N 3.48Å; P90-F92 VanDerWaalsContact O-N 3.15Å; F92-D94 PolarHBondContact O-N 3.33Å
93W45.6Very low47.8Very low176 Ų176157.8 Ų157.867%0.66776%0.76SS**  trans-84.658.7-178.9-70.4107000111L91 Y95L91-W93 HydrophobicContact CD1-CZ2 4.11Å; L91-W93 PolarHBondContact O-N 2.95Å; W93-Y95 HydrophobicContact CB-CD1 4.04Å; W93-Y95 HydrophobicContact CB-CE1 3.96Å; W93-Y95 AromaticContact CD2-CE1 3.97Å; W93-Y95 HydrophobicContact CD2-CE1 3.97Å; W93-Y95 AromaticContact CE3-CD1 3.81Å; W93-Y95 HydrophobicContact CE3-CD1 3.81Å; W93-Y95 AromaticContact CE3-CE1 3.32Å; W93-Y95 HydrophobicContact CE3-CE1 3.32Å; W93-Y95 HydrophobicContact CG-CE1 4.28Å; W93-Y95 HydrophobicContact CZ3-CE1 4.07Å; W93-Y95 PolarHBondContact O-N 3.22Å
94D44Very low48.6Very low137 Ų137156.7 Ų156.773%0.73375%0.745SS**  trans-76.721.1-176.8-59.9-26.5000113.5F92F92-D94 PolarHBondContact O-N 3.33Å
95Y40.8Very low50.1Low133 Ų133151.6 Ų151.652%0.52274%0.742SS.*SBendtrans-85.4121.5168.879.2-58.2000109.4W93 L97W93-Y95 HydrophobicContact CB-CD1 4.04Å; W93-Y95 HydrophobicContact CB-CE1 3.96Å; W93-Y95 AromaticContact CD2-CE1 3.97Å; W93-Y95 HydrophobicContact CD2-CE1 3.97Å; W93-Y95 AromaticContact CE3-CD1 3.81Å; W93-Y95 HydrophobicContact CE3-CD1 3.81Å; W93-Y95 AromaticContact CE3-CE1 3.32Å; W93-Y95 HydrophobicContact CE3-CE1 3.32Å; W93-Y95 HydrophobicContact CG-CE1 4.28Å; W93-Y95 HydrophobicContact CZ3-CE1 4.07Å; W93-Y95 PolarHBondContact O-N 3.22Å; Y95-L97 VanDerWaalsContact C-N 3.27Å; Y95-L97 HydrophobicContact CD2-CD2 4.11Å; Y95-L97 HydrophobicContact CD2-CG 4.06Å; Y95-L97 HydrophobicContact CE1-CD1 4.07Å; Y95-L97 HydrophobicContact CE1-CG 3.99Å; Y95-L97 HydrophobicContact CE2-CD1 4.25Å; Y95-L97 HydrophobicContact CE2-CD2 3.32Å; Y95-L97 HydrophobicContact CE2-CG 3.52Å; Y95-L97 VanDerWaalsContact CZ-CG 3.49Å; Y95-L97 PolarHBondContact O-N 2.9Å
96K48.9Very low51.3Low183 Ų183142.9 Ų142.980%0.79672%0.715SS**  trans-67.886.3176.6-174.2178.7176.1178.50110.1N98K96-N98 PolarHBondContact O-N 2.98Å
97L49.2Very low53.1Low96 Ų96135.5 Ų135.550%0.50370%0.698SS.*  trans-58102.4167.5-85173.5000109.5Y95 L99Y95-L97 VanDerWaalsContact C-N 3.27Å; Y95-L97 HydrophobicContact CD2-CD2 4.11Å; Y95-L97 HydrophobicContact CD2-CG 4.06Å; Y95-L97 HydrophobicContact CE1-CD1 4.07Å; Y95-L97 HydrophobicContact CE1-CG 3.99Å; Y95-L97 HydrophobicContact CE2-CD1 4.25Å; Y95-L97 HydrophobicContact CE2-CD2 3.32Å; Y95-L97 HydrophobicContact CE2-CG 3.52Å; Y95-L97 VanDerWaalsContact CZ-CG 3.49Å; Y95-L97 PolarHBondContact O-N 2.9Å; L97-L99 HydrophobicContact CB-CG 4.35Å; L97-L99 PolarHBondContact O-N 3.14Å
98N51.9Low55.5Low117 Ų117131.4 Ų131.463%0.62668%0.684SS**  trans-71.687.6161.3-63.7-47.4000107.3K96 I100K96-N98 PolarHBondContact O-N 2.98Å; N98-I100 HydrophobicContact CB-CD1 4.09Å; N98-I100 HydrophobicContact CB-CG1 4.21Å; N98-I100 PolarHBondContact O-N 3.21Å
99L54.5Low57.5Low157 Ų157127.6 Ų127.682%0.82266%0.655SS**  trans-67.569.9172.2-77.4163.2000110L97 G101L97-L99 HydrophobicContact CB-CG 4.35Å; L97-L99 PolarHBondContact O-N 3.14Å; L99-G101 PolarHBondContact O-N 3.28Å
100I63.8Low60Low159 Ų159125.6 Ų125.682%0.81564%0.644SS**  trans-9098.4171.9-59.1167.3000106.4N98N98-I100 HydrophobicContact CB-CD1 4.09Å; N98-I100 HydrophobicContact CB-CG1 4.21Å; N98-I100 PolarHBondContact O-N 3.21Å
101G52.1Low62.1Low65 Ų65120.3 Ų120.367%0.6761%0.61SS**SBendtrans-175.5126.1177.200000110L99 R103L99-G101 PolarHBondContact O-N 3.28Å; G101-R103 PolarHBondContact O-N 3.23Å
102E61.1Low64Low188 Ų188116.7 Ų116.788%0.87959%0.591SS**  trans-53.7133163.4-174.4177.1162.900108.3D104E102-D104 PolarHBondContact O-N 3.45Å
103R57.2Low66.5Low235 Ų235113.3 Ų113.389%0.88758%0.576SS**  trans-70.698.1176.3-178.6-169.3-71.7-156.8-1.1107.8G101 G105G101-R103 PolarHBondContact O-N 3.23Å; R103-G105 PolarHBondContact O-N 3.42Å
104D60.4Low68.8Low101 Ų101107.7 Ų107.754%0.5456%0.563SS.*  trans-40.3109.9165-90.2-10.5000109.2E102 V106 R167E102-D104 PolarHBondContact O-N 3.45Å; D104-V106 PolarHBondContact O-N 3.5Å; D104-V106 VanDerWaalsContact O-N 3.1Å; D104-R167 IonicContact OD2-CZ 3.48Å; D104-R167 IonicContact OD2-NH1 3.42Å; D104-R167 PolarHBondContact OD2-NH1 3.1Å; D104-R167 VanDerWaalsContact OD2-NH1 3.14Å; D104-R167 IonicContact OD2-NH2 2.65Å; D104-R167 PolarHBondContact OD2-NH2 2.95Å
105G68.8Low71.1Confident80 Ų80103.6 Ų103.683%0.82555%0.553SS**  trans-68-3.717300000113.2R103R103-G105 PolarHBondContact O-N 3.42Å
106V76.6Confident73.5Confident51 Ų51102.5 Ų102.531%0.30956%0.556SS.*SBendtrans-86.7117.5-177.9-178.80000109.9D104 I108 R167D104-V106 PolarHBondContact O-N 3.5Å; D104-V106 VanDerWaalsContact O-N 3.1Å; V106-I108 PolarHBondContact O-N 2.84Å; V106-R167 HydrophobicContact CG1-CB 4.3Å
107P81.8Confident75.5Confident85 Ų8597.5 Ų97.555%0.55254%0.542SS*.PPolyproline II helixtrans-59.9136.5-179.125.2-34.2000111.5
108I86Confident77.6Confident97 Ų9793.2 Ų93.250%0.49752%0.519SS..PPolyproline II helixtrans-82.4127.3171.8-61.3172.5000107.7V106 P117V106-I108 PolarHBondContact O-N 2.84Å; I108-P117 HydrophobicContact CG2-CB 3.76Å
109H88.9Confident79.4Confident44 Ų4495.9 Ų95.920%0.20453%0.528CS..  trans-105.6143.1170.9-57.8-34.4000109.7I118 Y121 M172H109-I118 HydrophobicContact CB-CD1 4.34Å; H109-I118 WeakPolarHBondContact O-CG1 3.42Å; H109-I118 PolarHBondContact O-N 3.26Å; H109-Y121 HydrophobicContact CB-CE1 4.08Å; H109-Y121 WeakPolarHBondContact CB-OH 3.14Å; H109-Y121 AromaticContact CD2-CZ 3.83Å; H109-Y121 PolarHBondContact CD2-OH 2.94Å; H109-M172 HydrophobicContact CB-CE 4.4Å; H109-M172 VanDerWaalsContact CD2-CE 3.48Å; H109-M172 WeakPolarHBondContact CD2-CE 3.4Å
110F91.3Very high81.3Confident129 Ų12990.8 Ų90.857%0.56650%0.501SS*.BIsolated β-bridgetrans-97145.1175.6-64-90.9000109.8G115 L116 P117F110-G115 WeakPolarHBondContact CD1-O 3.3Å; F110-L116 WeakPolarHBondContact CA-O 3.5Å; F110-P117 HydrophobicContact CD1-CB 4.22Å; F110-P117 HydrophobicContact CE1-CB 4.06Å
111C93.1Very high82.7Confident1 Ų183.4 Ų83.41%0.00746%0.463CS..  trans-80.4122.1179.9-176.50000111.3K113 C114 G115 L116 I118 C132 C135C111-K113 PolarHBondContact O-N 3.26Å; C111-K113 PolarHBondContact SG-N 3.04Å; C111-C114 VanDerWaalsContact CB-SG 3.54Å; C111-C114 PolarHBondContact O-N 3.38Å; C111-G115 VanDerWaalsContact O-CA 3.3Å; C111-G115 WeakPolarHBondContact O-CA 3.47Å; C111-G115 PolarHBondContact O-N 2.87Å; C111-L116 PolarHBondContact N-O 3.5Å; C111-I118 HydrophobicContact CB-CD1 4.03Å; C111-I118 HydrophobicContact CB-CG1 3.71Å; C111-C132 HydrophobicContact CB-CB 3.93Å; C111-C132 PolarHBondContact SG-N 3.1Å; C111-C135 PolarHBondContact SG-SG 3.15Å
112D90.3Very high84.8Confident46 Ų4680.3 Ų80.325%0.24643%0.431CS..THydrogen-bonded Turntrans-72.34.6179.5-37.4-86.6000114.2M152 Y153 K180D112-M152 HydrophobicContact CB-CE 3.91Å; D112-M152 HydrophobicContact CB-CG 4.45Å; D112-M152 VanDerWaalsContact O-CE 3.28Å; D112-M152 WeakPolarHBondContact O-CE 3.41Å; D112-Y153 PolarHBondContact OD1-OH 2.79Å; D112-Y153 VanDerWaalsContact OD1-OH 3.13Å; D112-Y153 PolarHBondContact OD2-OH 3.36Å; D112-K180 IonicContact OD1-NZ 3.24Å; D112-K180 PolarHBondContact OD1-NZ 2.99Å; D112-K180 IonicContact OD2-NZ 3.93Å
113K90.7Very high86.4Confident100 Ų10072.2 Ų72.244%0.43539%0.393SS..THydrogen-bonded Turntrans-100-40.6173.2-79.7-77.9168.8-70.60113.5C111 F131 C135 P148C111-K113 PolarHBondContact O-N 3.26Å; C111-K113 PolarHBondContact SG-N 3.04Å; K113-F131 HydrophobicContact CG-CD1 4.15Å; K113-F131 HydrophobicContact CG-CE1 4.43Å; K113-C135 HydrophobicContact CB-CB 4.19Å; K113-P148 VanDerWaalsContact CE-O 3.26Å; K113-P148 WeakPolarHBondContact CE-O 3.48Å; K113-P148 PolarHBondContact NZ-O 3.02Å
114C93.6Very high88.2Confident57 Ų5761 Ų6139%0.38535%0.351SS..THydrogen-bonded Turntrans-120-5.6-176.261.30000114.1C111 L116 C135C111-C114 VanDerWaalsContact CB-SG 3.54Å; C111-C114 PolarHBondContact O-N 3.38Å; C114-L116 HydrophobicContact CB-CD1 4.5Å; C114-L116 HydrophobicContact CB-CG 4.31Å; C114-L116 PolarHBondContact O-N 3.48Å; C114-L116 VanDerWaalsContact O-N 3.15Å; C114-C135 PolarHBondContact SG-SG 3.13Å
115G91.4Very high89.9Confident51 Ų5157 Ų5753%0.52633%0.329SS..  trans73.3-8.2-176.200000115.1F110 C111F110-G115 WeakPolarHBondContact CD1-O 3.3Å; C111-G115 VanDerWaalsContact O-CA 3.3Å; C111-G115 WeakPolarHBondContact O-CA 3.47Å; C111-G115 PolarHBondContact O-N 2.87Å
116L92.3Very high91Very high111 Ų11156.4 Ų56.458%0.58131%0.31SS*.  trans-78.6150.7-175-58.1178.9000112.5F110 C111 C114 I118F110-L116 WeakPolarHBondContact CA-O 3.5Å; C111-L116 PolarHBondContact N-O 3.5Å; C114-L116 HydrophobicContact CB-CD1 4.5Å; C114-L116 HydrophobicContact CB-CG 4.31Å; C114-L116 PolarHBondContact O-N 3.48Å; C114-L116 VanDerWaalsContact O-N 3.15Å; L116-I118 PolarHBondContact O-N 3.5Å
117P91.4Very high91.8Very high78 Ų7854.4 Ų54.451%0.50630%0.299SS..BIsolated β-bridgetrans-62.3134.6172.727.4-35000110.6I108 F110 Q119I108-P117 HydrophobicContact CG2-CB 3.76Å; F110-P117 HydrophobicContact CD1-CB 4.22Å; F110-P117 HydrophobicContact CE1-CB 4.06Å; P117-Q119 PolarHBondContact O-N 3.36Å
118I92.7Very high92.4Very high6 Ų654.3 Ų54.33%0.03129%0.289CS..  trans-84.1105.7-174.8-57.9164.2000110.1H109 C111 L116 L120 Y121 C132H109-I118 HydrophobicContact CB-CD1 4.34Å; H109-I118 WeakPolarHBondContact O-CG1 3.42Å; H109-I118 PolarHBondContact O-N 3.26Å; C111-I118 HydrophobicContact CB-CD1 4.03Å; C111-I118 HydrophobicContact CB-CG1 3.71Å; L116-I118 PolarHBondContact O-N 3.5Å; I118-L120 VanDerWaalsContact CG2-C 3.44Å; I118-L120 WeakPolarHBondContact CG2-O 3.13Å; I118-Y121 HydrophobicContact CB-CD1 3.92Å; I118-Y121 HydrophobicContact CB-CE1 3.56Å; I118-Y121 HydrophobicContact CD1-CD1 3.88Å; I118-Y121 HydrophobicContact CD1-CE1 3.57Å; I118-Y121 HydrophobicContact CG1-CD1 4.47Å; I118-Y121 HydrophobicContact CG1-CE1 4.17Å; I118-Y121 HydrophobicContact CG2-CD1 3.26Å; I118-Y121 HydrophobicContact CG2-CE1 3.45Å; I118-Y121 VanDerWaalsContact CG2-CE1 3.45Å; I118-Y121 HydrophobicContact CG2-CG 3.88Å; I118-C132 HydrophobicContact CG1-CB 4.31Å
119Q90Very high92.7Very high173 Ų17350.1 Ų50.181%0.80827%0.268SS*.SBendtrans-73.2-38.2170.4-173.8174.94.200112P117P117-Q119 PolarHBondContact O-N 3.36Å
120L93.3Very high93Very high49 Ų4948.6 Ų48.626%0.25726%0.261SS..SBendtrans-136.9126.7-177.9-175.370000110.2I118 Y133 Q164I118-L120 VanDerWaalsContact CG2-C 3.44Å; I118-L120 WeakPolarHBondContact CG2-O 3.13Å; L120-Y133 HydrophobicContact CD2-CD1 3.58Å; L120-Y133 HydrophobicContact CD2-CE1 4.32Å; L120-Y133 HydrophobicContact CD2-CG 3.72Å; L120-Y133 HydrophobicContact CG-CG 4.23Å; L120-Y133 PolarHBondContact O-N 2.92Å; L120-Q164 HydrophobicContact CD1-CG 3.75Å; L120-Q164 HydrophobicContact CD2-CG 3.95Å; L120-Q164 VanDerWaalsContact CD2-NE2 3.29Å; L120-Q164 HydrophobicContact CG-CG 4.01Å
121Y94.6Very high93.1Very high5 Ų542.4 Ų42.42%0.0224%0.235CC..EExtended strand (participates in β ladder)trans-88.6123.9-175.1-67-68.3000111.1H109 I118 V130 C165 R167 L170H109-Y121 HydrophobicContact CB-CE1 4.08Å; H109-Y121 WeakPolarHBondContact CB-OH 3.14Å; H109-Y121 AromaticContact CD2-CZ 3.83Å; H109-Y121 PolarHBondContact CD2-OH 2.94Å; I118-Y121 HydrophobicContact CB-CD1 3.92Å; I118-Y121 HydrophobicContact CB-CE1 3.56Å; I118-Y121 HydrophobicContact CD1-CD1 3.88Å; I118-Y121 HydrophobicContact CD1-CE1 3.57Å; I118-Y121 HydrophobicContact CG1-CD1 4.47Å; I118-Y121 HydrophobicContact CG1-CE1 4.17Å; I118-Y121 HydrophobicContact CG2-CD1 3.26Å; I118-Y121 HydrophobicContact CG2-CE1 3.45Å; I118-Y121 VanDerWaalsContact CG2-CE1 3.45Å; I118-Y121 HydrophobicContact CG2-CG 3.88Å; Y121-V130 HydrophobicContact CD1-CG1 3.19Å; Y121-V130 HydrophobicContact CE1-CG1 4Å; Y121-V130 HydrophobicContact CG-CG1 3.84Å; Y121-C165 WeakPolarHBondContact CB-O 3.21Å; Y121-C165 PolarHBondContact N-O 3.02Å; Y121-C165 PolarHBondContact O-N 3.46Å; Y121-R167 HydrophobicContact CE2-CB 4.5Å; Y121-R167 HydrophobicContact CE2-CG 3.96Å; Y121-L170 HydrophobicContact CD2-CD1 4.05Å; Y121-L170 HydrophobicContact CG-CD1 3.93Å
122G95.7Very high93.2Very high0 Ų043.1 Ų43.10%024%0.239CC..EExtended strand (participates in β ladder)trans-89.3123.6159.600000109.1M124 V130 F131G122-M124 WeakPolarHBondContact O-CE 3.22Å; G122-V130 VanDerWaalsContact O-CA 3.3Å; G122-V130 WeakPolarHBondContact O-CA 3.42Å; G122-F131 PolarHBondContact N-O 3.11Å; G122-F131 PolarHBondContact O-N 3.24Å
123R95.1Very high93.5Very high17 Ų1743.7 Ų43.76%0.06424%0.238CC..EExtended strand (participates in β ladder)trans-111.5124.5-178.7-176.3171.7-175.1-100.63.5110.9I125 V130 I162 E163 T182R123-I125 HydrophobicContact CG-CD1 4.2Å; R123-I125 VanDerWaalsContact NH1-CD1 3.31Å; R123-V130 HydrophobicContact CB-CG2 3.87Å; R123-V130 HydrophobicContact CG-CG2 3.82Å; R123-I162 CarbonylContact O-C 3.6Å; R123-I162 WeakPolarHBondContact O-CA 3.24Å; R123-E163 HydrophobicContact CB-CB 4.3Å; R123-E163 WeakPolarHBondContact CB-O 3.48Å; R123-E163 PolarHBondContact N-O 3.27Å; R123-E163 IonicContact NH1-OE2 2.71Å; R123-E163 PolarHBondContact NH1-OE2 3.43Å; R123-E163 PolarHBondContact O-N 3.05Å; R123-T182 PolarHBondContact NE-OG1 3.42Å; R123-T182 PolarHBondContact NH2-O 3.3Å; R123-T182 VanDerWaalsContact NH2-O 3.09Å
124M95.2Very high93.8Very high1 Ų144 Ų441%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-90.4121.8-172.2-84.352.756.600109.9G122 C127 K128 H129 F131 A136 V159 I162G122-M124 WeakPolarHBondContact O-CE 3.22Å; M124-C127 WeakPolarHBondContact CB-SG 3.48Å; M124-C127 PolarHBondContact O-N 3.13Å; M124-K128 PolarHBondContact O-N 2.05Å; M124-H129 WeakPolarHBondContact CE-O 3.34Å; M124-H129 PolarHBondContact N-O 3.36Å; M124-F131 HydrophobicContact CE-CB 4.27Å; M124-F131 HydrophobicContact CE-CD2 3.23Å; M124-F131 HydrophobicContact CE-CE2 3.78Å; M124-F131 HydrophobicContact CE-CG 4.07Å; M124-F131 HydrophobicContact SD-CD2 4.12Å; M124-A136 HydrophobicContact SD-CB 3.82Å; M124-V159 HydrophobicContact CB-CG1 4.27Å; M124-V159 HydrophobicContact CB-CG2 4.02Å; M124-V159 HydrophobicContact CG-CB 4.45Å; M124-V159 HydrophobicContact CG-CG1 3.9Å; M124-V159 HydrophobicContact CG-CG2 3.62Å; M124-I162 HydrophobicContact SD-CG1 4.24Å
125I94.4Very high93.8Very high16 Ų1642.2 Ų42.28%0.08223%0.233CC..EExtended strand (participates in β ladder)trans-102132-179.7-49.8-55.8000109.3R123 Q160 R161 E163R123-I125 HydrophobicContact CG-CD1 4.2Å; R123-I125 VanDerWaalsContact NH1-CD1 3.31Å; I125-Q160 PolarHBondContact O-N 3.23Å; I125-R161 HydrophobicContact CB-CG 3.79Å; I125-R161 HydrophobicContact CG1-CG 3.87Å; I125-R161 HydrophobicContact CG2-CG 4.38Å; I125-R161 PolarHBondContact N-O 3.45Å; I125-E163 HydrophobicContact CD1-CB 4.42Å; I125-E163 VanDerWaalsContact CD1-CD 3.46Å; I125-E163 HydrophobicContact CD1-CG 4.1Å; I125-E163 WeakPolarHBondContact CD1-OE2 3.47Å; I125-E163 HydrophobicContact CG1-CB 4.36Å; I125-E163 VanDerWaalsContact CG1-CD 3.49Å; I125-E163 HydrophobicContact CG1-CG 3.77Å
126P93.6Very high94Very high67 Ų6739.8 Ų39.844%0.43521%0.208SC..THydrogen-bonded Turncis-92.7-2.57.736.6-33.3000114.9K128 Q158P126-K128 VanDerWaalsContact C-N 3.3Å; P126-K128 VanDerWaalsContact O-CG 3.26Å; P126-K128 WeakPolarHBondContact O-CG 3.3Å; P126-K128 PolarHBondContact O-N 3.08Å; P126-Q158 WeakPolarHBondContact CD-O 3.47Å
127C92.6Very high94.1Very high10 Ų1037.5 Ų37.57%0.06820%0.196CC..THydrogen-bonded Turntrans-71.4-14.9-163.677.40000116.1M124 H129 E157M124-C127 WeakPolarHBondContact CB-SG 3.48Å; M124-C127 PolarHBondContact O-N 3.13Å; C127-H129 PolarHBondContact O-N 3.08Å; C127-H129 PolarHBondContact SG-ND1 3.34Å; C127-H129 VanDerWaalsContact SG-ND1 3.37Å; C127-E157 HydrophobicContact CB-CB 3.46Å; C127-E157 VanDerWaalsContact CB-CB 3.46Å; C127-E157 HydrophobicContact CB-CG 3.79Å
128K93.9Very high94.2Very high82 Ų8239.4 Ų39.436%0.35720%0.201SC..  trans65.613.5176.1-42.7-171.4-178.9-176.60115.6M124 P126 T182 Y183M124-K128 PolarHBondContact O-N 2.05Å; P126-K128 VanDerWaalsContact C-N 3.3Å; P126-K128 VanDerWaalsContact O-CG 3.26Å; P126-K128 WeakPolarHBondContact O-CG 3.3Å; P126-K128 PolarHBondContact O-N 3.08Å; K128-T182 PolarHBondContact O-N 2.96Å; K128-T182 PolarHBondContact O-OG1 3.4Å; K128-Y183 HydrophobicContact CD-CD1 4.36Å; K128-Y183 HydrophobicContact CD-CE1 3.86Å
129H93.1Very high94.1Very high10 Ų1040.2 Ų40.25%0.04621%0.205CC..  trans-73.4160.7164.6-62.6100.2000110.3M124 C127 F131 Y153 C155M124-H129 WeakPolarHBondContact CE-O 3.34Å; M124-H129 PolarHBondContact N-O 3.36Å; C127-H129 PolarHBondContact O-N 3.08Å; C127-H129 PolarHBondContact SG-ND1 3.34Å; C127-H129 VanDerWaalsContact SG-ND1 3.37Å; H129-F131 HydrophobicContact CB-CE2 4.4Å; H129-Y153 AromaticContact CD2-CD2 3.48Å; H129-Y153 VanDerWaalsContact CD2-CD2 3.48Å; H129-Y153 WeakPolarHBondContact CD2-CD2 3.44Å; H129-Y153 AromaticContact CD2-CG 3.94Å; H129-Y153 AromaticContact NE2-CD2 3.97Å; H129-Y153 AromaticContact NE2-CG 3.97Å; H129-C155 PolarHBondContact CE1-SG 3.37Å; H129-C155 PolarHBondContact ND1-SG 2.85Å
130V93.7Very high94.2Very high11 Ų1136.2 Ų36.27%0.06719%0.186CC..EExtended strand (participates in β ladder)trans-141.1139.1-174.4163.30000109.8Y121 G122 R123 L170 T182Y121-V130 HydrophobicContact CD1-CG1 3.19Å; Y121-V130 HydrophobicContact CE1-CG1 4Å; Y121-V130 HydrophobicContact CG-CG1 3.84Å; G122-V130 VanDerWaalsContact O-CA 3.3Å; G122-V130 WeakPolarHBondContact O-CA 3.42Å; R123-V130 HydrophobicContact CB-CG2 3.87Å; R123-V130 HydrophobicContact CG-CG2 3.82Å; V130-L170 HydrophobicContact CG1-CD1 4.4Å; V130-L170 HydrophobicContact CG2-CD1 3.96Å; V130-T182 HydrophobicContact CB-CG2 3.86Å; V130-T182 HydrophobicContact CG2-CG2 3.58Å; V130-T182 WeakPolarHBondContact CG2-OG1 3.35Å
131F94.8Very high94.2Very high0 Ų042.7 Ų42.70%021%0.212CC..EExtended strand (participates in β ladder)trans-136.7179.6176.3-61.1-63.7000109.8K113 G122 M124 H129 C135 P148 Y153K113-F131 HydrophobicContact CG-CD1 4.15Å; K113-F131 HydrophobicContact CG-CE1 4.43Å; G122-F131 PolarHBondContact N-O 3.11Å; G122-F131 PolarHBondContact O-N 3.24Å; M124-F131 HydrophobicContact CE-CB 4.27Å; M124-F131 HydrophobicContact CE-CD2 3.23Å; M124-F131 HydrophobicContact CE-CE2 3.78Å; M124-F131 HydrophobicContact CE-CG 4.07Å; M124-F131 HydrophobicContact SD-CD2 4.12Å; H129-F131 HydrophobicContact CB-CE2 4.4Å; F131-C135 HydrophobicContact CB-CB 4.27Å; F131-P148 HydrophobicContact CD2-CB 3.95Å; F131-P148 HydrophobicContact CD2-CG 3.7Å; F131-P148 HydrophobicContact CE2-CB 3.54Å; F131-P148 HydrophobicContact CE2-CG 3.53Å; F131-P148 HydrophobicContact CZ-CB 4.04Å; F131-P148 HydrophobicContact CZ-CG 4.5Å; F131-Y153 HydrophobicContact CE1-CE2 4.11Å; F131-Y153 HydrophobicContact CZ-CE2 4.16Å
132C95.6Very high94.1Very high16 Ų1649.5 Ų49.511%0.10824%0.242CC..EExtended strand (participates in β ladder)trans-59.4140.4164.198.40000109.7C111 I118 D134 C135 A136C111-C132 HydrophobicContact CB-CB 3.93Å; C111-C132 PolarHBondContact SG-N 3.1Å; I118-C132 HydrophobicContact CG1-CB 4.31Å; C132-D134 VanDerWaalsContact C-N 3.29Å; C132-D134 PolarHBondContact O-N 3.32Å; C132-C135 HydrophobicContact CB-CB 4.13Å; C132-C135 WeakPolarHBondContact CB-SG 3.49Å; C132-C135 VanDerWaalsContact O-CB 3.24Å; C132-C135 WeakPolarHBondContact O-CB 3.48Å; C132-C135 PolarHBondContact O-N 2.93Å; C132-C135 VanDerWaalsContact O-N 3.08Å; C132-C135 WeakPolarHBondContact SG-CB 3.26Å; C132-C135 PolarHBondContact SG-N 3.31Å; C132-C135 CovalentContact SG-SG 2.05Å; C132-C135 PolarHBondContact SG-SG 3.02Å; C132-A136 PolarHBondContact O-N 3.14Å
133Y95.9Very high93.6Very high57 Ų5751.6 Ų51.622%0.22426%0.263CS..Hα-helixtrans-58.4-41.8-176.2-175.2-114.9000112L120 C135 A136 L137 I162 Q164L120-Y133 HydrophobicContact CD2-CD1 3.58Å; L120-Y133 HydrophobicContact CD2-CE1 4.32Å; L120-Y133 HydrophobicContact CD2-CG 3.72Å; L120-Y133 HydrophobicContact CG-CG 4.23Å; L120-Y133 PolarHBondContact O-N 2.92Å; Y133-C135 VanDerWaalsContact C-N 3.3Å; Y133-C135 PolarHBondContact O-N 3.39Å; Y133-A136 WeakPolarHBondContact O-CB 3.28Å; Y133-A136 PolarHBondContact O-N 2.61Å; Y133-A136 VanDerWaalsContact O-N 3.13Å; Y133-L137 HydrophobicContact CD1-CD1 3.91Å; Y133-L137 HydrophobicContact CD1-CG 4.39Å; Y133-L137 HydrophobicContact CE1-CD1 3.44Å; Y133-L137 VanDerWaalsContact CE1-CD1 3.44Å; Y133-L137 HydrophobicContact CE1-CG 4.08Å; Y133-L137 HydrophobicContact CE2-CD2 4.41Å; Y133-L137 HydrophobicContact CE2-CG 4.34Å; Y133-L137 PolarHBondContact O-N 3.38Å; Y133-I162 HydrophobicContact CD2-CG2 4.32Å; Y133-I162 HydrophobicContact CE2-CG2 4.17Å; Y133-Q164 HydrophobicContact CD2-CB 4.33Å; Y133-Q164 HydrophobicContact CD2-CG 4.32Å; Y133-Q164 HydrophobicContact CE2-CB 3.93Å; Y133-Q164 HydrophobicContact CE2-CG 4.23Å
134D95.8Very high93.3Very high108 Ų10854.4 Ų54.458%0.57828%0.277SS*.Hα-helixtrans-61.4-39.3176.3-42.4-65.3000111.9C132 A136 L137 L138C132-D134 VanDerWaalsContact C-N 3.29Å; C132-D134 PolarHBondContact O-N 3.32Å; D134-A136 VanDerWaalsContact C-N 3.31Å; D134-A136 PolarHBondContact O-N 3.13Å; D134-L137 PolarHBondContact O-N 3.46Å; D134-L138 WeakPolarHBondContact O-CB 3.3Å; D134-L138 WeakPolarHBondContact O-CG 3.04Å; D134-L138 PolarHBondContact O-N 2.84Å
135C95.4Very high92.9Very high18 Ų1860.7 Ų60.712%0.12231%0.305CS..Hα-helixtrans-63.9-38.2177.3-53.20000111.5C111 K113 C114 F131 C132 Y133 H139C111-C135 PolarHBondContact SG-SG 3.15Å; K113-C135 HydrophobicContact CB-CB 4.19Å; C114-C135 PolarHBondContact SG-SG 3.13Å; F131-C135 HydrophobicContact CB-CB 4.27Å; C132-C135 HydrophobicContact CB-CB 4.13Å; C132-C135 WeakPolarHBondContact CB-SG 3.49Å; C132-C135 VanDerWaalsContact O-CB 3.24Å; C132-C135 WeakPolarHBondContact O-CB 3.48Å; C132-C135 PolarHBondContact O-N 2.93Å; C132-C135 VanDerWaalsContact O-N 3.08Å; C132-C135 WeakPolarHBondContact SG-CB 3.26Å; C132-C135 PolarHBondContact SG-N 3.31Å; C132-C135 CovalentContact SG-SG 2.05Å; C132-C135 PolarHBondContact SG-SG 3.02Å; Y133-C135 VanDerWaalsContact C-N 3.3Å; Y133-C135 PolarHBondContact O-N 3.39Å; C135-H139 WeakPolarHBondContact O-CB 3.48Å; C135-H139 PolarHBondContact O-N 2.85Å
136A94.7Very high92.8Very high1 Ų163.1 Ų63.11%0.00832%0.316CS..Hα-helixtrans-71.3-45.4176.700000110.9M124 C132 Y133 D134 H139 E140 I162M124-A136 HydrophobicContact SD-CB 3.82Å; C132-A136 PolarHBondContact O-N 3.14Å; Y133-A136 WeakPolarHBondContact O-CB 3.28Å; Y133-A136 PolarHBondContact O-N 2.61Å; Y133-A136 VanDerWaalsContact O-N 3.13Å; D134-A136 VanDerWaalsContact C-N 3.31Å; D134-A136 PolarHBondContact O-N 3.13Å; A136-H139 WeakPolarHBondContact O-CB 3.47Å; A136-H139 PolarHBondContact O-N 3.31Å; A136-E140 PolarHBondContact O-N 2.84Å; A136-I162 VanDerWaalsContact C-CD1 3.49Å; A136-I162 HydrophobicContact CB-CD1 3.77Å; A136-I162 HydrophobicContact CB-CG1 4.22Å; A136-I162 HydrophobicContact CB-CG2 3.87Å; A136-I162 VanDerWaalsContact O-CD1 3.25Å; A136-I162 WeakPolarHBondContact O-CD1 3.18Å
137L94.3Very high92.7Very high62 Ų6260 Ų6033%0.32530%0.296SS..Hα-helixtrans-63.3-40.8176.5-71.3-177000112.9Y133 D134 H139 E140 K141Y133-L137 HydrophobicContact CD1-CD1 3.91Å; Y133-L137 HydrophobicContact CD1-CG 4.39Å; Y133-L137 HydrophobicContact CE1-CD1 3.44Å; Y133-L137 VanDerWaalsContact CE1-CD1 3.44Å; Y133-L137 HydrophobicContact CE1-CG 4.08Å; Y133-L137 HydrophobicContact CE2-CD2 4.41Å; Y133-L137 HydrophobicContact CE2-CG 4.34Å; Y133-L137 PolarHBondContact O-N 3.38Å; D134-L137 PolarHBondContact O-N 3.46Å; L137-H139 VanDerWaalsContact C-N 3.26Å; L137-H139 PolarHBondContact O-N 2.6Å; L137-E140 PolarHBondContact O-N 2.84Å; L137-K141 VanDerWaalsContact O-CB 3.3Å; L137-K141 WeakPolarHBondContact O-CB 3.19Å; L137-K141 PolarHBondContact O-N 2.99Å
138L94.2Very high92.6Very high118 Ų11860 Ų6062%0.61830%0.296SS*.Hα-helixtrans-60.6-37.9175.1-76.2169.5000111.8D134 K142D134-L138 WeakPolarHBondContact O-CB 3.3Å; D134-L138 WeakPolarHBondContact O-CG 3.04Å; D134-L138 PolarHBondContact O-N 2.84Å; L138-K142 WeakPolarHBondContact O-CB 3.19Å; L138-K142 PolarHBondContact O-N 3.28Å
139H90.9Very high92.1Very high24 Ų2456 Ų5611%0.11128%0.279CS..Hα-helixtrans-69.5-42.1176.9-172.4-75.9000112.2C135 A136 L137 K142 E144 M146 P148C135-H139 WeakPolarHBondContact O-CB 3.48Å; C135-H139 PolarHBondContact O-N 2.85Å; A136-H139 WeakPolarHBondContact O-CB 3.47Å; A136-H139 PolarHBondContact O-N 3.31Å; L137-H139 VanDerWaalsContact C-N 3.26Å; L137-H139 PolarHBondContact O-N 2.6Å; H139-K142 PolarHBondContact O-N 3Å; H139-E144 IonicContact CD2-OE2 2.87Å; H139-E144 PolarHBondContact CD2-OE2 2.65Å; H139-E144 VanDerWaalsContact CD2-OE2 3.28Å; H139-E144 WeakPolarHBondContact CE1-CB 3.49Å; H139-E144 PolarHBondContact CE1-O 3.42Å; H139-E144 IonicContact CG-OE2 3.74Å; H139-E144 PolarHBondContact ND1-O 3.47Å; H139-E144 VanDerWaalsContact ND1-O 3.07Å; H139-E144 IonicContact NE2-OE2 3.52Å; H139-E144 PolarHBondContact NE2-OE2 2.8Å; H139-E144 PolarHBondContact O-N 3.48Å; H139-M146 PolarHBondContact CE1-O 2.92Å; H139-P148 HydrophobicContact CB-CG 4.2Å; H139-P148 VanDerWaalsContact CD2-CG 3.48Å; H139-P148 WeakPolarHBondContact CD2-CG 3.42Å
140E91.3Very high91.6Very high89 Ų8958.5 Ų58.542%0.41629%0.292SS..Hα-helixtrans-63.3-44173.3-177.1170-114.600111.8A136 L137 K142 G143 I162A136-E140 PolarHBondContact O-N 2.84Å; L137-E140 PolarHBondContact O-N 2.84Å; E140-K142 VanDerWaalsContact C-N 3.27Å; E140-K142 PolarHBondContact O-N 3.22Å; E140-G143 WeakPolarHBondContact O-CA 3.37Å; E140-G143 PolarHBondContact O-N 3.35Å; E140-I162 HydrophobicContact CB-CD1 3.79Å; E140-I162 HydrophobicContact CG-CD1 4.49Å
141K92.4Very high91Very high184 Ų18465.4 Ų65.480%0.833%0.328SS*.Hα-helixtrans-61.9-31.7175.7-175.5178179.7-179.80112.9L137 G143L137-K141 VanDerWaalsContact O-CB 3.3Å; L137-K141 WeakPolarHBondContact O-CB 3.19Å; L137-K141 PolarHBondContact O-N 2.99Å; K141-G143 PolarHBondContact O-N 3.35Å
142K92.4Very high90.4Very high148 Ų14870 Ų7064%0.64335%0.351SS*.THydrogen-bonded Turntrans-71-8.9173.8-166174.1168.5-151.30112.9L138 H139 E140 E144L138-K142 WeakPolarHBondContact O-CB 3.19Å; L138-K142 PolarHBondContact O-N 3.28Å; H139-K142 PolarHBondContact O-N 3Å; E140-K142 VanDerWaalsContact C-N 3.27Å; E140-K142 PolarHBondContact O-N 3.22Å; K142-E144 VanDerWaalsContact C-N 3.26Å; K142-E144 HydrophobicContact CB-CG 4.34Å; K142-E144 HydrophobicContact CD-CG 4.16Å; K142-E144 WeakPolarHBondContact CD-OE2 3.25Å; K142-E144 VanDerWaalsContact CE-OE1 3.25Å; K142-E144 WeakPolarHBondContact CE-OE1 3.23Å; K142-E144 HydrophobicContact CG-CG 4.1Å; K142-E144 VanDerWaalsContact NZ-CD 3.33Å; K142-E144 IonicContact NZ-OE1 2.78Å; K142-E144 PolarHBondContact NZ-OE1 2.95Å; K142-E144 IonicContact NZ-OE2 3.98Å; K142-E144 PolarHBondContact NZ-OE2 3.33Å; K142-E144 PolarHBondContact O-N 3.3Å
143G86.9Confident89.7Confident44 Ų4470.9 Ų70.945%0.45435%0.352SS..THydrogen-bonded Turntrans79.94.6-177.900000114E140 K141 K145E140-G143 WeakPolarHBondContact O-CA 3.37Å; E140-G143 PolarHBondContact O-N 3.35Å; K141-G143 PolarHBondContact O-N 3.35Å; G143-K145 PolarHBondContact O-N 2.71Å
144E87.6Confident89.2Confident77 Ų7775 Ų7536%0.3638%0.378SS..  trans-73.1108.9-179.1-68.2-179.1150.100109.9H139 K142H139-E144 IonicContact CD2-OE2 2.87Å; H139-E144 PolarHBondContact CD2-OE2 2.65Å; H139-E144 VanDerWaalsContact CD2-OE2 3.28Å; H139-E144 WeakPolarHBondContact CE1-CB 3.49Å; H139-E144 PolarHBondContact CE1-O 3.42Å; H139-E144 IonicContact CG-OE2 3.74Å; H139-E144 PolarHBondContact ND1-O 3.47Å; H139-E144 VanDerWaalsContact ND1-O 3.07Å; H139-E144 IonicContact NE2-OE2 3.52Å; H139-E144 PolarHBondContact NE2-OE2 2.8Å; H139-E144 PolarHBondContact O-N 3.48Å; K142-E144 VanDerWaalsContact C-N 3.26Å; K142-E144 HydrophobicContact CB-CG 4.34Å; K142-E144 HydrophobicContact CD-CG 4.16Å; K142-E144 WeakPolarHBondContact CD-OE2 3.25Å; K142-E144 VanDerWaalsContact CE-OE1 3.25Å; K142-E144 WeakPolarHBondContact CE-OE1 3.23Å; K142-E144 HydrophobicContact CG-CG 4.1Å; K142-E144 VanDerWaalsContact NZ-CD 3.33Å; K142-E144 IonicContact NZ-OE1 2.78Å; K142-E144 PolarHBondContact NZ-OE1 2.95Å; K142-E144 IonicContact NZ-OE2 3.98Å; K142-E144 PolarHBondContact NZ-OE2 3.33Å; K142-E144 PolarHBondContact O-N 3.3Å
145K88.3Confident88.8Confident133 Ų13370.2 Ų70.258%0.57835%0.353SS*.  trans-84.1-6.9-178.5-58.3-58-179.2-178.30114.5G143 Q158 V159G143-K145 PolarHBondContact O-N 2.71Å; K145-Q158 CarbonylContact O-C 3.42Å; K145-Q158 WeakPolarHBondContact O-CA 3.36Å; K145-Q158 WeakPolarHBondContact O-CB 3.43Å; K145-V159 PolarHBondContact O-N 3.04Å
146M91.7Very high88.4Confident66 Ų6674 Ų7433%0.32538%0.376SS..BIsolated β-bridgetrans-85.6162.2178.8-62.1-62.6-74.100110.9H139 L150 T156 Q158H139-M146 PolarHBondContact CE1-O 2.92Å; M146-L150 HydrophobicContact CE-CD1 4.28Å; M146-T156 WeakPolarHBondContact CE-O 3.43Å; M146-Q158 HydrophobicContact SD-CG 3.81Å
147C91.8Very high88.2Confident1 Ų178.6 Ų78.61%0.00740%0.397CS..  trans-62.6133.9171.4-174.90000110.8G149 L150 C155 E157 V159C147-G149 PolarHBondContact O-N 3.45Å; C147-G149 PolarHBondContact SG-N 2.9Å; C147-L150 WeakPolarHBondContact O-CB 3.49Å; C147-L150 PolarHBondContact O-N 3.27Å; C147-C155 HydrophobicContact CB-CB 4.04Å; C147-C155 WeakPolarHBondContact CB-SG 3.43Å; C147-C155 VanDerWaalsContact SG-SG 3.63Å; C147-E157 WeakPolarHBondContact CB-O 3.25Å; C147-E157 PolarHBondContact N-O 3.39Å; C147-V159 HydrophobicContact CB-CG2 4.44Å
148P88.8Confident88.2Confident10 Ų1082 Ų827%0.06541%0.411CS..THydrogen-bonded Turntrans-58.8-17.3170.4-9.814.2000112.7K113 F131 H139 L150K113-P148 VanDerWaalsContact CE-O 3.26Å; K113-P148 WeakPolarHBondContact CE-O 3.48Å; K113-P148 PolarHBondContact NZ-O 3.02Å; F131-P148 HydrophobicContact CD2-CB 3.95Å; F131-P148 HydrophobicContact CD2-CG 3.7Å; F131-P148 HydrophobicContact CE2-CB 3.54Å; F131-P148 HydrophobicContact CE2-CG 3.53Å; F131-P148 HydrophobicContact CZ-CB 4.04Å; F131-P148 HydrophobicContact CZ-CG 4.5Å; H139-P148 HydrophobicContact CB-CG 4.2Å; H139-P148 VanDerWaalsContact CD2-CG 3.48Å; H139-P148 WeakPolarHBondContact CD2-CG 3.42Å; P148-L150 PolarHBondContact O-N 3.1Å
149G84.1Confident88.2Confident0 Ų077.4 Ų77.40%039%0.388CS..THydrogen-bonded Turntrans-76.25.3170.900000115.4C147 N151 M152 Y153C147-G149 PolarHBondContact O-N 3.45Å; C147-G149 PolarHBondContact SG-N 2.9Å; G149-N151 PolarHBondContact O-N 3.15Å; G149-M152 PolarHBondContact O-N 3.43Å; G149-Y153 WeakPolarHBondContact O-CA 3.06Å; G149-Y153 WeakPolarHBondContact O-CB 3.48Å; G149-Y153 PolarHBondContact O-N 3.33Å
150L83.7Confident88.4Confident61 Ų6183.3 Ų83.332%0.31942%0.416SS..Hα-helixtrans-50.5-56.3-179.6-17764000111.9M146 C147 P148 N154 C155 T156M146-L150 HydrophobicContact CE-CD1 4.28Å; C147-L150 WeakPolarHBondContact O-CB 3.49Å; C147-L150 PolarHBondContact O-N 3.27Å; P148-L150 PolarHBondContact O-N 3.1Å; L150-N154 WeakPolarHBondContact O-CA 3.41Å; L150-N154 PolarHBondContact O-N 3.47Å; L150-N154 VanDerWaalsContact O-N 3.12Å; L150-C155 WeakPolarHBondContact CA-O 3.18Å; L150-C155 WeakPolarHBondContact CD1-O 3.38Å; L150-C155 PolarHBondContact O-N 2.74Å; L150-T156 HydrophobicContact CD1-CG2 3.86Å
151N79.9Confident88.5Confident156 Ų15684.7 Ų84.783%0.83442%0.417SS*.Hα-helixtrans-78.5-20.1-177.8-62.7-6000114.1G149G149-N151 PolarHBondContact O-N 3.15Å
152M82.1Confident88.7Confident98 Ų9877.3 Ų77.348%0.48339%0.386SS..Hα-helixtrans-96.2-33.7-173.6-162.977.869.800112.6D112 G149D112-M152 HydrophobicContact CB-CE 3.91Å; D112-M152 HydrophobicContact CB-CG 4.45Å; D112-M152 VanDerWaalsContact O-CE 3.28Å; D112-M152 WeakPolarHBondContact O-CE 3.41Å; G149-M152 PolarHBondContact O-N 3.43Å
153Y82.4Confident88.8Confident33 Ų3373 Ų7313%0.12937%0.368CS..Hα-helixtrans-126.59.5-170.2-55.6-47.1000112.6D112 H129 F131 G149 C155 K180D112-Y153 PolarHBondContact OD1-OH 2.79Å; D112-Y153 VanDerWaalsContact OD1-OH 3.13Å; D112-Y153 PolarHBondContact OD2-OH 3.36Å; H129-Y153 AromaticContact CD2-CD2 3.48Å; H129-Y153 VanDerWaalsContact CD2-CD2 3.48Å; H129-Y153 WeakPolarHBondContact CD2-CD2 3.44Å; H129-Y153 AromaticContact CD2-CG 3.94Å; H129-Y153 AromaticContact NE2-CD2 3.97Å; H129-Y153 AromaticContact NE2-CG 3.97Å; F131-Y153 HydrophobicContact CE1-CE2 4.11Å; F131-Y153 HydrophobicContact CZ-CE2 4.16Å; G149-Y153 WeakPolarHBondContact O-CA 3.06Å; G149-Y153 WeakPolarHBondContact O-CB 3.48Å; G149-Y153 PolarHBondContact O-N 3.33Å; Y153-C155 PolarHBondContact O-N 2.89Å; Y153-C155 VanDerWaalsContact O-N 3.16Å; Y153-K180 HydrophobicContact CE1-CB 4.45Å; Y153-K180 HydrophobicContact CE1-CD 3.74Å; Y153-K180 WeakPolarHBondContact OH-CD 3.33Å; Y153-K180 PolarHBondContact OH-NZ 3.09Å; Y153-K180 VanDerWaalsContact OH-NZ 3.1Å
154N83.8Confident89.2Confident143 Ų14376.6 Ų76.677%0.76537%0.373SS*.  trans50.435.4-172.4-64.3-76.2000112.1L150 T156L150-N154 WeakPolarHBondContact O-CA 3.41Å; L150-N154 PolarHBondContact O-N 3.47Å; L150-N154 VanDerWaalsContact O-N 3.12Å; N154-T156 PolarHBondContact O-N 2.91Å
155C87.4Confident89.5Confident8 Ų873.4 Ų73.45%0.05436%0.36CS..  trans-91.293.3-171-179.40000111.6H129 C147 L150 Y153 E157H129-C155 PolarHBondContact CE1-SG 3.37Å; H129-C155 PolarHBondContact ND1-SG 2.85Å; C147-C155 HydrophobicContact CB-CB 4.04Å; C147-C155 WeakPolarHBondContact CB-SG 3.43Å; C147-C155 VanDerWaalsContact SG-SG 3.63Å; L150-C155 WeakPolarHBondContact CA-O 3.18Å; L150-C155 WeakPolarHBondContact CD1-O 3.38Å; L150-C155 PolarHBondContact O-N 2.74Å; Y153-C155 PolarHBondContact O-N 2.89Å; Y153-C155 VanDerWaalsContact O-N 3.16Å; C155-E157 PolarHBondContact O-N 2.76Å
156T88.2Confident89.5Confident97 Ų9774 Ų7460%0.59536%0.364SS*.  trans-79.34.6176.254.10000114.7M146 L150 N154M146-T156 WeakPolarHBondContact CE-O 3.43Å; L150-T156 HydrophobicContact CD1-CG2 3.86Å; N154-T156 PolarHBondContact O-N 2.91Å
157E90.8Very high89.2Confident98 Ų9874.9 Ų74.946%0.45836%0.364SS..  trans-70.3138.6178.7-59.8-64.4115.700111.9C127 C147 C155C127-E157 HydrophobicContact CB-CB 3.46Å; C127-E157 VanDerWaalsContact CB-CB 3.46Å; C127-E157 HydrophobicContact CB-CG 3.79Å; C147-E157 WeakPolarHBondContact CB-O 3.25Å; C147-E157 PolarHBondContact N-O 3.39Å; C155-E157 PolarHBondContact O-N 2.76Å
158Q93.6Very high88.8Confident134 Ų13477 Ų7763%0.62639%0.386SS*.BIsolated β-bridgetrans-78.1141.2172.9-67.2179.210.600111.4P126 K145 M146P126-Q158 WeakPolarHBondContact CD-O 3.47Å; K145-Q158 CarbonylContact O-C 3.42Å; K145-Q158 WeakPolarHBondContact O-CA 3.36Å; K145-Q158 WeakPolarHBondContact O-CB 3.43Å; M146-Q158 HydrophobicContact SD-CG 3.81Å
159V94.4Very high88.8Confident21 Ų2178.8 Ų78.813%0.12740%0.398CS..  trans-85.3110.9173.6-175.70000108.5M124 K145 C147 R161 I162M124-V159 HydrophobicContact CB-CG1 4.27Å; M124-V159 HydrophobicContact CB-CG2 4.02Å; M124-V159 HydrophobicContact CG-CB 4.45Å; M124-V159 HydrophobicContact CG-CG1 3.9Å; M124-V159 HydrophobicContact CG-CG2 3.62Å; K145-V159 PolarHBondContact O-N 3.04Å; C147-V159 HydrophobicContact CB-CG2 4.44Å; V159-R161 WeakPolarHBondContact CG1-O 3.46Å; V159-I162 HydrophobicContact CG1-CG1 4.13Å
160Q94.5Very high89.1Confident149 Ų14979.7 Ų79.770%0.69640%0.403SS*.  trans-80.5-36.9174.8-170.6-175.936.500111.8I125I125-Q160 PolarHBondContact O-N 3.23Å
161R94.3Very high89.5Confident117 Ų11780.3 Ų80.344%0.44240%0.404SS..EExtended strand (participates in β ladder)trans-159.5162.2176.564174.3-175.4-87.63.4111I125 V159 E163I125-R161 HydrophobicContact CB-CG 3.79Å; I125-R161 HydrophobicContact CG1-CG 3.87Å; I125-R161 HydrophobicContact CG2-CG 4.38Å; I125-R161 PolarHBondContact N-O 3.45Å; V159-R161 WeakPolarHBondContact CG1-O 3.46Å; R161-E163 IonicContact CZ-OE1 2.92Å; R161-E163 VanDerWaalsContact CZ-OE1 3.24Å; R161-E163 IonicContact NE-OE1 3.43Å; R161-E163 PolarHBondContact NE-OE1 2.97Å; R161-E163 IonicContact NH2-OE1 3.9Å; R161-E163 PolarHBondContact NH2-OE1 2.87Å
162I95.3Very high90.1Very high30 Ų3075.2 Ų75.215%0.15438%0.375CS..EExtended strand (participates in β ladder)trans-107.3120.1171.4-60.8160.5000108.8R123 M124 Y133 A136 E140 V159R123-I162 CarbonylContact O-C 3.6Å; R123-I162 WeakPolarHBondContact O-CA 3.24Å; M124-I162 HydrophobicContact SD-CG1 4.24Å; Y133-I162 HydrophobicContact CD2-CG2 4.32Å; Y133-I162 HydrophobicContact CE2-CG2 4.17Å; A136-I162 VanDerWaalsContact C-CD1 3.49Å; A136-I162 HydrophobicContact CB-CD1 3.77Å; A136-I162 HydrophobicContact CB-CG1 4.22Å; A136-I162 HydrophobicContact CB-CG2 3.87Å; A136-I162 VanDerWaalsContact O-CD1 3.25Å; A136-I162 WeakPolarHBondContact O-CD1 3.18Å; E140-I162 HydrophobicContact CB-CD1 3.79Å; E140-I162 HydrophobicContact CG-CD1 4.49Å; V159-I162 HydrophobicContact CG1-CG1 4.13Å
163E95.6Very high90.6Very high56 Ų5670.7 Ų70.726%0.26235%0.353SS..EExtended strand (participates in β ladder)trans-92.5128.6171.8-76172.8-175.700109.9R123 I125 R161R123-E163 HydrophobicContact CB-CB 4.3Å; R123-E163 WeakPolarHBondContact CB-O 3.48Å; R123-E163 PolarHBondContact N-O 3.27Å; R123-E163 IonicContact NH1-OE2 2.71Å; R123-E163 PolarHBondContact NH1-OE2 3.43Å; R123-E163 PolarHBondContact O-N 3.05Å; I125-E163 HydrophobicContact CD1-CB 4.42Å; I125-E163 VanDerWaalsContact CD1-CD 3.46Å; I125-E163 HydrophobicContact CD1-CG 4.1Å; I125-E163 WeakPolarHBondContact CD1-OE2 3.47Å; I125-E163 HydrophobicContact CG1-CB 4.36Å; I125-E163 VanDerWaalsContact CG1-CD 3.49Å; I125-E163 HydrophobicContact CG1-CG 3.77Å; R161-E163 IonicContact CZ-OE1 2.92Å; R161-E163 VanDerWaalsContact CZ-OE1 3.24Å; R161-E163 IonicContact NE-OE1 3.43Å; R161-E163 PolarHBondContact NE-OE1 2.97Å; R161-E163 IonicContact NH2-OE1 3.9Å; R161-E163 PolarHBondContact NH2-OE1 2.87Å
164Q95.4Very high90.9Very high120 Ų12074 Ų7456%0.56138%0.382SS*.EExtended strand (participates in β ladder)trans-78129.6173.2-175.2-178.6-5.400109.8L120 Y133L120-Q164 HydrophobicContact CD1-CG 3.75Å; L120-Q164 HydrophobicContact CD2-CG 3.95Å; L120-Q164 VanDerWaalsContact CD2-NE2 3.29Å; L120-Q164 HydrophobicContact CG-CG 4.01Å; Y133-Q164 HydrophobicContact CD2-CB 4.33Å; Y133-Q164 HydrophobicContact CD2-CG 4.32Å; Y133-Q164 HydrophobicContact CE2-CB 3.93Å; Y133-Q164 HydrophobicContact CE2-CG 4.23Å
165C93Very high91.2Very high11 Ų1172 Ų727%0.07437%0.369CS..EExtended strand (participates in β ladder)trans-130.3143.3-179.3-720000111Y121 L170Y121-C165 WeakPolarHBondContact CB-O 3.21Å; Y121-C165 PolarHBondContact N-O 3.02Å; Y121-C165 PolarHBondContact O-N 3.46Å; C165-L170 HydrophobicContact CB-CD1 3.57Å; C165-L170 HydrophobicContact CB-CD2 4.41Å; C165-L170 HydrophobicContact CB-CG 3.98Å
166Q89.7Confident91.1Very high145 Ų14574.8 Ų74.868%0.67839%0.386SS*.  trans-87.1164.2-179.6-64.8-173.44.800111.6G168 S169Q166-G168 PolarHBondContact O-N 3.07Å; Q166-S169 PolarHBondContact N-OG 3.23Å; Q166-S169 PolarHBondContact O-N 3.13Å; Q166-S169 PolarHBondContact O-OG 3.09Å; Q166-S169 VanDerWaalsContact O-OG 3.11Å
167R84.8Confident90.7Very high85 Ų8576 Ų7632%0.32140%0.399SS..THydrogen-bonded Turntrans-61.6137.5170-72.3179.463.2-140.8-8.5109.9D104 V106 Y121 S169D104-R167 IonicContact OD2-CZ 3.48Å; D104-R167 IonicContact OD2-NH1 3.42Å; D104-R167 PolarHBondContact OD2-NH1 3.1Å; D104-R167 VanDerWaalsContact OD2-NH1 3.14Å; D104-R167 IonicContact OD2-NH2 2.65Å; D104-R167 PolarHBondContact OD2-NH2 2.95Å; V106-R167 HydrophobicContact CG1-CB 4.3Å; Y121-R167 HydrophobicContact CE2-CB 4.5Å; Y121-R167 HydrophobicContact CE2-CG 3.96Å; R167-S169 VanDerWaalsContact C-N 3.3Å; R167-S169 PolarHBondContact O-N 3.32Å
168G84.1Confident90.3Very high44 Ų4473.6 Ų73.645%0.45440%0.4SS..THydrogen-bonded Turntrans82.5-12.1-177.500000115.8Q166 L170Q166-G168 PolarHBondContact O-N 3.07Å; G168-L170 VanDerWaalsContact C-N 3.31Å; G168-L170 PolarHBondContact O-N 2.64Å
169S87.5Confident90Very high48 Ų4868.3 Ų68.334%0.33638%0.378SS..SBendtrans-87.76.5179.283.60000114.5Q166 R167Q166-S169 PolarHBondContact N-OG 3.23Å; Q166-S169 PolarHBondContact O-N 3.13Å; Q166-S169 PolarHBondContact O-OG 3.09Å; Q166-S169 VanDerWaalsContact O-OG 3.11Å; R167-S169 VanDerWaalsContact C-N 3.3Å; R167-S169 PolarHBondContact O-N 3.32Å
170L91.8Very high89.7Confident20 Ų2070.8 Ų70.811%0.10539%0.387CS..  trans-135.1131.1-174.1-70.6173.2000111.4Y121 V130 C165 G168 Y183 L184Y121-L170 HydrophobicContact CD2-CD1 4.05Å; Y121-L170 HydrophobicContact CG-CD1 3.93Å; V130-L170 HydrophobicContact CG1-CD1 4.4Å; V130-L170 HydrophobicContact CG2-CD1 3.96Å; C165-L170 HydrophobicContact CB-CD1 3.57Å; C165-L170 HydrophobicContact CB-CD2 4.41Å; C165-L170 HydrophobicContact CB-CG 3.98Å; G168-L170 VanDerWaalsContact C-N 3.31Å; G168-L170 PolarHBondContact O-N 2.64Å; L170-Y183 WeakPolarHBondContact CA-O 3.38Å; L170-L184 HydrophobicContact CD2-CD2 3.94Å
171F91.8Very high89.6Confident74 Ų7468.1 Ų68.133%0.32537%0.371SS..EExtended strand (participates in β ladder)trans-103.8113176.1-61.9-90.3000108.7T182 Y183 Q186 L189F171-T182 WeakPolarHBondContact O-CA 3.49Å; F171-Y183 PolarHBondContact N-O 2.98Å; F171-Y183 PolarHBondContact O-N 2.88Å; F171-Q186 HydrophobicContact CD1-CB 4.09Å; F171-Q186 HydrophobicContact CE1-CB 3.97Å; F171-Q186 HydrophobicContact CZ-CB 4.31Å; F171-L189 HydrophobicContact CB-CB 4.02Å; F171-L189 HydrophobicContact CB-CD2 3.8Å
172M91.3Very high89.5Confident49 Ų4962.6 Ų62.624%0.24135%0.35CS..EExtended strand (participates in β ladder)trans-97.2136.1-176.8-173.3-178.9-6700111.7H109 S174 K180 T182H109-M172 HydrophobicContact CB-CE 4.4Å; H109-M172 VanDerWaalsContact CD2-CE 3.48Å; H109-M172 WeakPolarHBondContact CD2-CE 3.4Å; M172-S174 PolarHBondContact O-N 3.07Å; M172-K180 HydrophobicContact SD-CB 4.25Å; M172-K180 HydrophobicContact SD-CG 4.1Å; M172-T182 HydrophobicContact CB-CG2 4.34Å; M172-T182 HydrophobicContact CE-CG2 4.09Å; M172-T182 HydrophobicContact CG-CG2 4.27Å
173C92.3Very high89.5Confident2 Ų262 Ų621%0.01435%0.346CS..  trans-76.2119.8174.5-168.70000112.6K180 R181 L189 H192 H197C173-K180 WeakPolarHBondContact O-CA 3.39Å; C173-K180 PolarHBondContact O-N 3.25Å; C173-K180 VanDerWaalsContact O-N 3.15Å; C173-R181 PolarHBondContact N-O 3.2Å; C173-L189 HydrophobicContact CB-CD1 3.59Å; C173-H192 WeakPolarHBondContact CB-NE2 3.41Å; C173-H192 PolarHBondContact SG-NE2 2.88Å; C173-H192 VanDerWaalsContact SG-NE2 3.42Å; C173-H197 VanDerWaalsContact SG-CD2 3.6Å; C173-H197 PolarHBondContact SG-NE2 3.09Å
174S89.7Confident89.4Confident104 Ų10464.1 Ų64.173%0.72736%0.358SS*.  trans-111-1.4177.354.20000114.4M172 V176M172-S174 PolarHBondContact O-N 3.07Å; S174-V176 PolarHBondContact O-N 3.17Å
175I89.3Confident89.3Confident99 Ų9960.1 Ų60.151%0.50834%0.344SS..SBendtrans-63.2-37.7-171.1-58-59.4000113.2V193 H197I175-V193 HydrophobicContact CD1-CG1 4.46Å; I175-V193 HydrophobicContact CG1-CB 4.42Å; I175-V193 HydrophobicContact CG1-CG1 3.89Å; I175-V193 HydrophobicContact CG1-CG2 3.62Å; I175-H197 HydrophobicContact CG2-CB 3.8Å
176V86.4Confident89.3Confident67 Ų6764.3 Ų64.341%0.40636%0.362SS..SBendtrans-119.4132174.2172.80000108.8S174 G178 C179 H197S174-V176 PolarHBondContact O-N 3.17Å; V176-G178 PolarHBondContact O-N 2.81Å; V176-G178 VanDerWaalsContact O-N 3.09Å; V176-C179 HydrophobicContact CB-CB 4.39Å; V176-C179 WeakPolarHBondContact O-CB 3.17Å; V176-C179 PolarHBondContact O-N 3.03Å; V176-H197 VanDerWaalsContact CG2-ND1 3.34Å; V176-H197 WeakPolarHBondContact CG2-ND1 3.49Å
177S79.2Confident89.6Confident123 Ų12367.3 Ų67.386%0.8637%0.367SS*.THydrogen-bonded Turntrans-52.7114172.951.10000110.3
178G81.8Confident90Very high48 Ų4866.9 Ų66.950%0.49537%0.371SS..THydrogen-bonded Turntrans96.6-1.9-178.800000115.9V176V176-G178 PolarHBondContact O-N 2.81Å; V176-G178 VanDerWaalsContact O-N 3.09Å
179C87.9Confident90.5Very high22 Ų2265.7 Ų65.715%0.14935%0.354CS..  trans-69.3-54.5177.5-170.10000112.7V176 R181 H192 H197V176-C179 HydrophobicContact CB-CB 4.39Å; V176-C179 WeakPolarHBondContact O-CB 3.17Å; V176-C179 PolarHBondContact O-N 3.03Å; C179-R181 PolarHBondContact O-N 2.77Å; C179-H192 VanDerWaalsContact SG-CE1 3.59Å; C179-H192 PolarHBondContact SG-NE2 2.96Å; C179-H197 PolarHBondContact SG-NE2 3.36Å; C179-H197 VanDerWaalsContact SG-NE2 3.4Å
180K88.7Confident90.9Very high74 Ų7467.5 Ų67.532%0.32236%0.357SS..  trans4714.8171.3-71.4-177.9174.7177.10117.5D112 Y153 M172 C173D112-K180 IonicContact OD1-NZ 3.24Å; D112-K180 PolarHBondContact OD1-NZ 2.99Å; D112-K180 IonicContact OD2-NZ 3.93Å; Y153-K180 HydrophobicContact CE1-CB 4.45Å; Y153-K180 HydrophobicContact CE1-CD 3.74Å; Y153-K180 WeakPolarHBondContact OH-CD 3.33Å; Y153-K180 PolarHBondContact OH-NZ 3.09Å; Y153-K180 VanDerWaalsContact OH-NZ 3.1Å; M172-K180 HydrophobicContact SD-CB 4.25Å; M172-K180 HydrophobicContact SD-CG 4.1Å; C173-K180 WeakPolarHBondContact O-CA 3.39Å; C173-K180 PolarHBondContact O-N 3.25Å; C173-K180 VanDerWaalsContact O-N 3.15Å
181R91.4Very high91.1Very high93 Ų9368.4 Ų68.435%0.35137%0.368SS..  trans-66.9139.1178.4-75.3-175.3172.3-171.4-3.9110.9C173 C179 Y183C173-R181 PolarHBondContact N-O 3.2Å; C179-R181 PolarHBondContact O-N 2.77Å; R181-Y183 HydrophobicContact CB-CE2 3.6Å
182T93.6Very high91.2Very high1 Ų165.4 Ų65.41%0.00636%0.355CS..EExtended strand (participates in β ladder)trans-111.8141-175.4690000113.8R123 K128 V130 F171 M172R123-T182 PolarHBondContact NE-OG1 3.42Å; R123-T182 PolarHBondContact NH2-O 3.3Å; R123-T182 VanDerWaalsContact NH2-O 3.09Å; K128-T182 PolarHBondContact O-N 2.96Å; K128-T182 PolarHBondContact O-OG1 3.4Å; V130-T182 HydrophobicContact CB-CG2 3.86Å; V130-T182 HydrophobicContact CG2-CG2 3.58Å; V130-T182 WeakPolarHBondContact CG2-OG1 3.35Å; F171-T182 WeakPolarHBondContact O-CA 3.49Å; M172-T182 HydrophobicContact CB-CG2 4.34Å; M172-T182 HydrophobicContact CE-CG2 4.09Å; M172-T182 HydrophobicContact CG-CG2 4.27Å
183Y94.7Very high91.3Very high18 Ų1863.7 Ų63.77%0.07135%0.347CS..EExtended strand (participates in β ladder)trans-132.8149.5-173.4-64.9-83.4000110.7K128 L170 F171 R181 S185 D188 L189 H192K128-Y183 HydrophobicContact CD-CD1 4.36Å; K128-Y183 HydrophobicContact CD-CE1 3.86Å; L170-Y183 WeakPolarHBondContact CA-O 3.38Å; F171-Y183 PolarHBondContact N-O 2.98Å; F171-Y183 PolarHBondContact O-N 2.88Å; R181-Y183 HydrophobicContact CB-CE2 3.6Å; Y183-S185 VanDerWaalsContact C-N 3.3Å; Y183-D188 HydrophobicContact CD1-CB 3.7Å; Y183-D188 HydrophobicContact CG-CB 4.06Å; Y183-L189 HydrophobicContact CD2-CB 4.19Å; Y183-L189 HydrophobicContact CD2-CD1 4.03Å; Y183-L189 HydrophobicContact CE2-CD1 4.45Å; Y183-L189 HydrophobicContact CG-CB 4.4Å; Y183-H192 HydrophobicContact CD2-CB 4.47Å; Y183-H192 HydrophobicContact CE1-CB 4.03Å; Y183-H192 HydrophobicContact CE2-CB 3.69Å; Y183-H192 AromaticContact CE2-CD2 3.33Å; Y183-H192 WeakPolarHBondContact CE2-CD2 3.26Å; Y183-H192 AromaticContact CE2-CG 3.56Å; Y183-H192 VanDerWaalsContact CZ-CB 3.42Å; Y183-H192 AromaticContact CZ-CD2 3.78Å; Y183-H192 AromaticContact CZ-CG 3.5Å; Y183-H192 WeakPolarHBondContact OH-CB 3.49Å; Y183-H192 PolarHBondContact OH-ND1 3.28Å
184L92.8Very high91.4Very high100 Ų10066.8 Ų66.852%0.52436%0.364SS..SBendtrans-80.9-12.9-177.3-63.7171.4000112.5L170L170-L184 HydrophobicContact CD2-CD2 3.94Å
185S92.6Very high91.6Very high36 Ų3667.3 Ų67.325%0.25235%0.354SS..SBendtrans-140.7153.5177.377.40000111.8Y183 R187 D188 L189Y183-S185 VanDerWaalsContact C-N 3.3Å; S185-R187 PolarHBondContact O-N 3.44Å; S185-R187 PolarHBondContact OG-N 2.91Å; S185-D188 PolarHBondContact O-N 2.76Å; S185-D188 PolarHBondContact OG-N 3.16Å; S185-D188 PolarHBondContact OG-OD2 2.79Å; S185-L189 PolarHBondContact O-N 3.12Å; S185-L189 VanDerWaalsContact O-N 3.13Å
186Q93.4Very high91.7Very high98 Ų9870.4 Ų70.446%0.45836%0.359SS..Hα-helixtrans-60.1-31.4171.1-175.761.318.700111.8F171 L189 Q190F171-Q186 HydrophobicContact CD1-CB 4.09Å; F171-Q186 HydrophobicContact CE1-CB 3.97Å; F171-Q186 HydrophobicContact CZ-CB 4.31Å; Q186-L189 PolarHBondContact O-N 3.27Å; Q186-Q190 WeakPolarHBondContact O-CB 3.45Å; Q186-Q190 PolarHBondContact O-N 3.41Å
187R95.9Very high91.8Very high209 Ų20968.5 Ų68.579%0.78935%0.346SS*.Hα-helixtrans-61.5-47.5175.4179.7-173.5-69.6-158.3-0.8111.3S185 Q190 A191S185-R187 PolarHBondContact O-N 3.44Å; S185-R187 PolarHBondContact OG-N 2.91Å; R187-Q190 PolarHBondContact O-N 3.47Å; R187-A191 WeakPolarHBondContact O-CB 3.37Å; R187-A191 PolarHBondContact O-N 3.39Å
188D94.7Very high92.1Very high75 Ų7567.3 Ų67.340%0.40133%0.328SS..Hα-helixtrans-67.7-38.7-179.7-64.7-47.7000111.9Y183 S185 A191 H192Y183-D188 HydrophobicContact CD1-CB 3.7Å; Y183-D188 HydrophobicContact CG-CB 4.06Å; S185-D188 PolarHBondContact O-N 2.76Å; S185-D188 PolarHBondContact OG-N 3.16Å; S185-D188 PolarHBondContact OG-OD2 2.79Å; D188-A191 PolarHBondContact O-N 3.31Å; D188-H192 WeakPolarHBondContact O-CB 3.45Å; D188-H192 PolarHBondContact O-N 3.35Å
189L94.3Very high91.5Very high19 Ų1973.7 Ų73.710%0.09934%0.337CS..Hα-helixtrans-60.4-48.7171.5173.358.1000110.5F171 C173 Y183 S185 Q186 A191 H192 V193F171-L189 HydrophobicContact CB-CB 4.02Å; F171-L189 HydrophobicContact CB-CD2 3.8Å; C173-L189 HydrophobicContact CB-CD1 3.59Å; Y183-L189 HydrophobicContact CD2-CB 4.19Å; Y183-L189 HydrophobicContact CD2-CD1 4.03Å; Y183-L189 HydrophobicContact CE2-CD1 4.45Å; Y183-L189 HydrophobicContact CG-CB 4.4Å; S185-L189 PolarHBondContact O-N 3.12Å; S185-L189 VanDerWaalsContact O-N 3.13Å; Q186-L189 PolarHBondContact O-N 3.27Å; L189-A191 VanDerWaalsContact C-N 3.35Å; L189-A191 PolarHBondContact O-N 3.37Å; L189-H192 WeakPolarHBondContact O-CB 3.38Å; L189-H192 PolarHBondContact O-N 3.42Å; L189-H192 VanDerWaalsContact O-N 3.16Å; L189-V193 HydrophobicContact CD1-CG2 4.08Å; L189-V193 HydrophobicContact CG-CG2 4.49Å; L189-V193 WeakPolarHBondContact O-CG2 3.46Å; L189-V193 PolarHBondContact O-N 2.88Å
190Q95.1Very high90.1Very high86 Ų8675.6 Ų75.640%0.40235%0.354SS..Hα-helixtrans-62.1-41.5179.2-169.26352.700112.1Q186 R187 H192 V193 N194Q186-Q190 WeakPolarHBondContact O-CB 3.45Å; Q186-Q190 PolarHBondContact O-N 3.41Å; R187-Q190 PolarHBondContact O-N 3.47Å; Q190-H192 VanDerWaalsContact C-N 3.33Å; Q190-H192 PolarHBondContact O-N 3.31Å; Q190-V193 PolarHBondContact O-N 2.89Å; Q190-N194 PolarHBondContact NE2-OD1 3.16Å; Q190-N194 WeakPolarHBondContact O-CB 3.19Å; Q190-N194 PolarHBondContact O-N 3.45Å; Q190-N194 PolarHBondContact O-OD1 2.89Å
191A95.7Very high88.6Confident40 Ų4075.5 Ų75.533%0.33136%0.363SS..Hα-helixtrans-60.5-43.4174.400000111.3R187 D188 L189 N194 H195R187-A191 WeakPolarHBondContact O-CB 3.37Å; R187-A191 PolarHBondContact O-N 3.39Å; D188-A191 PolarHBondContact O-N 3.31Å; L189-A191 VanDerWaalsContact C-N 3.35Å; L189-A191 PolarHBondContact O-N 3.37Å; A191-N194 PolarHBondContact O-N 2.96Å; A191-H195 VanDerWaalsContact O-CB 3.28Å; A191-H195 WeakPolarHBondContact O-CB 3.4Å; A191-H195 PolarHBondContact O-CD2 3.31Å; A191-H195 PolarHBondContact O-N 3.32Å
192H94.4Very high86.6Confident11 Ų1179.3 Ų79.35%0.05138%0.382CS..Hα-helixtrans-60.2-47.8173.8161.751.5000112.8C173 C179 Y183 D188 L189 Q190 N194 H195 R196 H197C173-H192 WeakPolarHBondContact CB-NE2 3.41Å; C173-H192 PolarHBondContact SG-NE2 2.88Å; C173-H192 VanDerWaalsContact SG-NE2 3.42Å; C179-H192 VanDerWaalsContact SG-CE1 3.59Å; C179-H192 PolarHBondContact SG-NE2 2.96Å; Y183-H192 HydrophobicContact CD2-CB 4.47Å; Y183-H192 HydrophobicContact CE1-CB 4.03Å; Y183-H192 HydrophobicContact CE2-CB 3.69Å; Y183-H192 AromaticContact CE2-CD2 3.33Å; Y183-H192 WeakPolarHBondContact CE2-CD2 3.26Å; Y183-H192 AromaticContact CE2-CG 3.56Å; Y183-H192 VanDerWaalsContact CZ-CB 3.42Å; Y183-H192 AromaticContact CZ-CD2 3.78Å; Y183-H192 AromaticContact CZ-CG 3.5Å; Y183-H192 WeakPolarHBondContact OH-CB 3.49Å; Y183-H192 PolarHBondContact OH-ND1 3.28Å; D188-H192 WeakPolarHBondContact O-CB 3.45Å; D188-H192 PolarHBondContact O-N 3.35Å; L189-H192 WeakPolarHBondContact O-CB 3.38Å; L189-H192 PolarHBondContact O-N 3.42Å; L189-H192 VanDerWaalsContact O-N 3.16Å; Q190-H192 VanDerWaalsContact C-N 3.33Å; Q190-H192 PolarHBondContact O-N 3.31Å; H192-N194 VanDerWaalsContact C-N 3.35Å; H192-N194 PolarHBondContact O-N 3.37Å; H192-H195 PolarHBondContact O-N 2.91Å; H192-R196 WeakPolarHBondContact O-CB 3.34Å; H192-R196 PolarHBondContact O-N 3.25Å; H192-H197 AromaticContact CE1-NE2 3.71Å; H192-H197 AromaticContact NE2-NE2 3.52Å
193V94.4Very high84.4Confident12 Ų1284.1 Ų84.17%0.07342%0.416CS..Hα-helixtrans-57.9-48.6176.6170.10000110.6I175 L189 Q190 H195 H197 M198I175-V193 HydrophobicContact CD1-CG1 4.46Å; I175-V193 HydrophobicContact CG1-CB 4.42Å; I175-V193 HydrophobicContact CG1-CG1 3.89Å; I175-V193 HydrophobicContact CG1-CG2 3.62Å; L189-V193 HydrophobicContact CD1-CG2 4.08Å; L189-V193 HydrophobicContact CG-CG2 4.49Å; L189-V193 WeakPolarHBondContact O-CG2 3.46Å; L189-V193 PolarHBondContact O-N 2.88Å; Q190-V193 PolarHBondContact O-N 2.89Å; V193-H195 VanDerWaalsContact C-N 3.32Å; V193-H195 PolarHBondContact O-N 2.9Å; V193-H197 WeakPolarHBondContact O-CA 3.16Å; V193-H197 WeakPolarHBondContact O-CB 3.1Å; V193-H197 PolarHBondContact O-N 2.77Å; V193-M198 HydrophobicContact CG1-CG 4.13Å; V193-M198 PolarHBondContact O-N 3.32Å
194N94.3Very high82Confident68 Ų6888 Ų8836%0.36445%0.445SS..Hα-helixtrans-61.1-39.9179-69.1-4.2000112.1Q190 A191 H192Q190-N194 PolarHBondContact NE2-OD1 3.16Å; Q190-N194 WeakPolarHBondContact O-CB 3.19Å; Q190-N194 PolarHBondContact O-N 3.45Å; Q190-N194 PolarHBondContact O-OD1 2.89Å; A191-N194 PolarHBondContact O-N 2.96Å; H192-N194 VanDerWaalsContact C-N 3.35Å; H192-N194 PolarHBondContact O-N 3.37Å
195H92.1Very high79.5Confident114 Ų11494.1 Ų94.153%0.52846%0.461SS..Hα-helixtrans-83.6-29.2-174-71.2-153.1000113.4A191 H192 V193A191-H195 VanDerWaalsContact O-CB 3.28Å; A191-H195 WeakPolarHBondContact O-CB 3.4Å; A191-H195 PolarHBondContact O-CD2 3.31Å; A191-H195 PolarHBondContact O-N 3.32Å; H192-H195 PolarHBondContact O-N 2.91Å; V193-H195 VanDerWaalsContact C-N 3.32Å; V193-H195 PolarHBondContact O-N 2.9Å
196R91.3Very high77.1Confident164 Ų164100.5 Ų100.562%0.61949%0.488SS*.Hα-helixtrans-115.5-26.1-171.8-60.4-61.7178.9145.7-5.1114.7H192 A200H192-R196 WeakPolarHBondContact O-CB 3.34Å; H192-R196 PolarHBondContact O-N 3.25Å; R196-A200 WeakPolarHBondContact O-CB 3.44Å
197H90.2Very high74.4Confident27 Ų27103.2 Ų103.213%0.12550%0.5CS..THydrogen-bonded Turntrans-107.4-44.5179.5-56.6-47.5000111.8C173 I175 V176 C179 H192 V193 R199 A200 S201C173-H197 VanDerWaalsContact SG-CD2 3.6Å; C173-H197 PolarHBondContact SG-NE2 3.09Å; I175-H197 HydrophobicContact CG2-CB 3.8Å; V176-H197 VanDerWaalsContact CG2-ND1 3.34Å; V176-H197 WeakPolarHBondContact CG2-ND1 3.49Å; C179-H197 PolarHBondContact SG-NE2 3.36Å; C179-H197 VanDerWaalsContact SG-NE2 3.4Å; H192-H197 AromaticContact CE1-NE2 3.71Å; H192-H197 AromaticContact NE2-NE2 3.52Å; V193-H197 WeakPolarHBondContact O-CA 3.16Å; V193-H197 WeakPolarHBondContact O-CB 3.1Å; V193-H197 PolarHBondContact O-N 2.77Å; H197-R199 PolarHBondContact O-N 3.41Å; H197-A200 PolarHBondContact O-N 2.86Å; H197-S201 PolarHBondContact O-N 3.48Å; H197-S201 VanDerWaalsContact O-N 3.14Å; H197-S201 PolarHBondContact O-OG 3.06Å; H197-S201 VanDerWaalsContact O-OG 3.08Å
198M84.3Confident71.7Confident98 Ų9898.9 Ų98.948%0.48350%0.499SS..THydrogen-bonded Turntrans-77.7-17.1-178-57.2-57.7-6900115.1V193 S201V193-M198 HydrophobicContact CG1-CG 4.13Å; V193-M198 PolarHBondContact O-N 3.32Å; M198-S201 PolarHBondContact O-OG 3.3Å
199R69.7Low69.2Low183 Ų183100.3 Ų100.369%0.69151%0.51SS*.THydrogen-bonded Turntrans-88.8-31.3170.4-71.7-176-173.8-157.31.5112.6H197H197-R199 PolarHBondContact O-N 3.41Å
200A57.7Low66.9Low61 Ų61107.7 Ų107.750%0.50454%0.544SS..THydrogen-bonded Turntrans-74.5-29.1177.600000112.8R196 H197 K202 S203R196-A200 WeakPolarHBondContact O-CB 3.44Å; H197-A200 PolarHBondContact O-N 2.86Å; A200-K202 VanDerWaalsContact C-N 3.3Å; A200-K202 PolarHBondContact O-N 3.47Å; A200-S203 PolarHBondContact O-OG 2.89Å; A200-S203 VanDerWaalsContact O-OG 3.13Å
201S57.1Low64.5Low72 Ų72110 Ų11050%0.50356%0.559SS.*G310 helixtrans-72.9-17.7177.649.90000114.3H197 M198H197-S201 PolarHBondContact O-N 3.48Å; H197-S201 VanDerWaalsContact O-N 3.14Å; H197-S201 PolarHBondContact O-OG 3.06Å; H197-S201 VanDerWaalsContact O-OG 3.08Å; M198-S201 PolarHBondContact O-OG 3.3Å
202K51.2Low61.9Low174 Ų174113.3 Ų113.376%0.75758%0.576SS**G310 helixtrans-86.6-10.5178.8-66.2-170.9179.4-1710114.5A200 S204A200-K202 VanDerWaalsContact C-N 3.3Å; A200-K202 PolarHBondContact O-N 3.47Å; K202-S204 VanDerWaalsContact C-N 3.33Å
203S46.3Very low59.5Low102 Ų102118.3 Ų118.371%0.71361%0.61SS**G310 helixtrans-87.60.4174.463.70000113.5A200 R205A200-S203 PolarHBondContact O-OG 2.89Å; A200-S203 VanDerWaalsContact O-OG 3.13Å; S203-R205 PolarHBondContact O-N 3.43Å
204S44.4Very low57.1Low98 Ų98123.1 Ų123.169%0.68564%0.641SS**  trans-91.450.9166.4-156.80000110.9K202 Q206K202-S204 VanDerWaalsContact C-N 3.33Å; S204-Q206 PolarHBondContact O-N 2.97Å
205R41.1Very low54.7Low229 Ų229127 Ų12786%0.86466%0.662SS**  trans-74.9109.6153.8178.1174.3177170.1-1.4105.1S203 E207S203-R205 PolarHBondContact O-N 3.43Å; R205-E207 PolarHBondContact O-N 3.08Å; R205-E207 VanDerWaalsContact O-N 3.13Å
206Q41.1Very low52.4Low171 Ų171127.4 Ų127.480%0.79967%0.672SS**  trans-50.4120.6177-64.2170.4-66.500109.3S204 P208S204-Q206 PolarHBondContact O-N 2.97Å; Q206-P208 WeakPolarHBondContact O-CD 3.43Å
207E37.3Very low50.2Low155 Ų155125.6 Ų125.672%0.72468%0.682SS**  trans-65.3122.7155.4-171.6-153.3111.200106.2R205 V209R205-E207 PolarHBondContact O-N 3.08Å; R205-E207 VanDerWaalsContact O-N 3.13Å; E207-V209 PolarHBondContact O-N 3.14Å
208P39.7Very low48.1Very low118 Ų118132.9 Ų132.977%0.76672%0.716SS**  trans-71.396.3174-13.729.9000108.2Q206 H210Q206-P208 WeakPolarHBondContact O-CD 3.43Å; P208-H210 PolarHBondContact O-N 3.46Å
209V41.9Very low46.3Very low105 Ų105138.4 Ų138.464%0.63673%0.731SS**  trans-54.9111.5172.4172.70000108E207 L211E207-V209 PolarHBondContact O-N 3.14Å; V209-L211 HydrophobicContact CG1-CD2 4.3Å; V209-L211 HydrophobicContact CG1-CG 4.47Å; V209-L211 PolarHBondContact O-N 3.43Å
210H45Very low45.3Very low173 Ų173138.5 Ų138.580%0.80174%0.737SS**  trans-7292.7178.5-177.927.3000109.2P208P208-H210 PolarHBondContact O-N 3.46Å
211L44.8Very low44.6Very low136 Ų136146.9 Ų146.971%0.71276%0.756SS**PPolyproline II helixtrans-75.5140.5165.7-65.1175.2000109.3V209V209-L211 HydrophobicContact CG1-CD2 4.3Å; V209-L211 HydrophobicContact CG1-CG 4.47Å; V209-L211 PolarHBondContact O-N 3.43Å
212P42.8Very low44.3Very low108 Ų108149.9 Ų149.970%0.70177%0.77SS**PPolyproline II helixtrans-71.2146.917430.8-34.3000110.5
213P42.5Very low44.1Very low116 Ų116146.9 Ų146.975%0.75377%0.769SS**PPolyproline II helixtrans-73.6149.6-178.130.4-34.9000112.3
214P43.5Very low44.2Very low114 Ų114147.6 Ų147.674%0.7477%0.771SS**PPolyproline II helixtrans-75.1147.5171.932.1-34.3000111.7
215D44.4Very low44.2Very low150 Ų150148.4 Ų148.480%0.80277%0.774SS**PPolyproline II helixtrans-63.8129.6176.7-163.9-80.7000111.5
216V44.2Very low44.3Very low122 Ų122145.9 Ų145.974%0.73977%0.772SS**  trans-133.4123.2171.1-71.10000109.8
217P44.5Very low44.3Very low125 Ų125145.4 Ų145.481%0.81277%0.773SS**  trans-63.9135-171.6-29.436.8000116.5R219P217-R219 PolarHBondContact O-N 3.4Å
218E45.8Very low44.7Very low180 Ų180143.9 Ų143.984%0.84178%0.776SS**  trans-61.8114.5178.3-164.484.9-144.700113.5
219R48.5Very low44.6Very low214 Ų214147.1 Ų147.181%0.80878%0.778SS**  trans-156.6130.6147.8-139.1174.5-86.1-169.1-8.1113.6P217P217-R219 PolarHBondContact O-N 3.4Å
220F47.7Very low44.3Very low186 Ų186147.8 Ų147.882%0.81679%0.788SS**  trans65.182.7173.8-62.7-76.9000117.6
221R42.5Very low44Very low237 Ų237147 Ų14789%0.89478%0.784SS**  -143.8144.2125.8-109.7178.1-161.788.50.3111.7
222V50.6Low43.9Very low134 Ų134146.6 Ų146.681%0.81279%0.787SS**PPolyproline II helixtrans-77.4136.4-175.7177.50000110.1
223P48.4Very low43.7Very low112 Ų112149.4 Ų149.473%0.72779%0.79SS**PPolyproline II helixtrans-78.3134.8176.630.7-33.8000112.2
224P47.8Very low43.5Very low116 Ų116151.1 Ų151.175%0.75379%0.792SS**PPolyproline II helixtrans-65.6158.2163.2-19.633.6000112
225P44.9Very low43.6Very low116 Ų116151.1 Ų151.175%0.75379%0.792SS**PPolyproline II helixtrans-74151.9-165.429.4-35.7000114.4
226H43Very low43.3Very low176 Ų176148.5 Ų148.582%0.81579%0.792SS**PPolyproline II helixtrans-74.5138.9176.741.4-92.1000112
227I41.5Very low43.4Very low161 Ų161148.7 Ų148.783%0.82680%0.796SS**  trans-115.4133.6162.9-12.8176.8000107.2
228P45.3Very low43.2Very low122 Ų122150.5 Ų150.579%0.79280%0.798SS**  trans-74.1148.7-160.4-20.334.5000115.5
229K36.8Very low43.2Very low186 Ų186147.6 Ų147.681%0.80979%0.794SS**  trans-74.3138.2163.7-79.293.2169.4-1770110.4
230S36.2Very low42.9Very low119 Ų119143.5 Ų143.583%0.83280%0.796SS**  trans-103.794.2155.758.10000109.8
231H39.2Very low42.3Very low157 Ų157145 Ų14573%0.72780%0.797SS**  trans-86.4118.8163-95.9-91.9000108.7
232V41.8Very low41.9Very low128 Ų128138.1 Ų138.178%0.77679%0.786SS**  trans-108.1123154.3174.80000106.8L234V232-L234 HydrophobicContact CG1-CD1 4.12Å
233H38.2Very low41.5Very low166 Ų166140.4 Ų140.477%0.76979%0.788SS**  trans-107.3117.8-174.8-153.8-87.4000107.6
234L38Very low41.6Very low152 Ų152140.7 Ų140.780%0.79679%0.789SS**  trans-144.7142.7165.1-92.9122000110V232V232-L234 HydrophobicContact CG1-CD1 4.12Å
235P46.4Very low41.6Very low114 Ų114141 Ų14174%0.7479%0.791SS**PPolyproline II helixtrans-89.4157.2-165.835.6-36.2000113.7
236A39.1Very low41.6Very low96 Ų96141.1 Ų141.179%0.79379%0.792SS**PPolyproline II helixtrans-79.7135.7170.200000111.6
237P44.5Very low41.9Very low126 Ų126138.5 Ų138.582%0.81879%0.791SS**PPolyproline II helixtrans-81.6161.3168.932.8-33000112.8
238L41.2Very low41.8Very low163 Ų163136.5 Ų136.585%0.85379%0.791SS**PPolyproline II helixtrans-78.7159.9-167.6-64.6165.4000114.3
239P45.9Very low42.1Very low118 Ų118135.7 Ų135.777%0.76679%0.786SS**PPolyproline II helixtrans-82142.9179.832.9-35.3000113.7
240P43Very low42.2Very low129 Ų129135 Ų13584%0.83879%0.785SS**PPolyproline II helixtrans-77.3152.2165.7-16.732.4000113.9
241Y34.1Very low42.1Very low216 Ų216136 Ų13685%0.84778%0.781SS**PPolyproline II helixtrans-63149.9179.7-97.7-130.9000115.3
242S35Very low41.9Very low94 Ų94131.5 Ų131.566%0.65778%0.777SS**  26.5140.6118.4-41.20000118.4
243Q41.9Very low42.4Very low182 Ų182131.3 Ų131.385%0.8578%0.778SS**  cis178.4163.343.4-147.1172.810.100110
244P50.2Low43Very low118 Ų118128.7 Ų128.777%0.76678%0.776SS**  trans-115.9141.9170.437.7-28.6000115.2
245P46.7Very low44.1Very low121 Ų121126.8 Ų126.879%0.78677%0.773SS**  trans-145.4-167.5154.242.8-25.1000113.4
246P44.9Very low44.4Very low120 Ų120126.4 Ų126.478%0.77977%0.77SS**  -125.3179.3-85.739.6-21.8000114.9
247P51.1Low44.4Very low121 Ų121127.2 Ų127.279%0.78677%0.771SS**  trans-114.8153.6-177.339.4-31.1000116.8
248S39.5Very low44.5Very low118 Ų118126.4 Ų126.483%0.82577%0.765SS**  trans165.1172.1159.3-800000110.6
249P50.3Low44.3Very low106 Ų106126.8 Ų126.869%0.68877%0.767SS**  cis-136.6-170.7-4133.9-13.1000114.6
250H39.8Very low43.7Very low171 Ų171124.3 Ų124.379%0.79276%0.764SS**  trans72.3152164.7-81.8-80.1000119.1
251D34.3Very low43.9Very low140 Ų140124.1 Ų124.175%0.74976%0.762SS**  cis-159.8163-2.8-158-97.5000112.3
252G34Very low43.9Very low63 Ų63120 Ų12065%0.64975%0.751SS**  trans103.8138.4142.400000122.4
253P51.8Low43.9Very low123 Ų123122.1 Ų122.180%0.79976%0.76SS**  trans-129-159.7-175.645.3-30.1000114.6
254P51.8Low43.8Very low111 Ų111120.9 Ų120.972%0.72175%0.752SS**  cis-126.7-134.8-38.726.9-1.8000111.9
255P61.2Low43.5Very low112 Ų112126.4 Ų126.473%0.72776%0.757SS**  -104-154.2-90.740.4-23.7000111.8
256P52.5Low43Very low106 Ų106127.4 Ų127.469%0.68875%0.754SS**  cis-138.2165.3-543.5-25.4000118.9
257S39.5Very low42.4Very low114 Ų114127.5 Ų127.580%0.79776%0.758SS**  trans38.2156.2133.5-50.80000124.6
258P46.3Very low41.8Very low109 Ų109127.8 Ų127.871%0.70876%0.758SS**  cis-140.4172.314.645.2-27.7000118.9
259L36.5Very low41.8Very low170 Ų170128.6 Ų128.689%0.8976%0.757SS**  trans77.4110.3160.7-48.8-173.3000120.2
260G34.2Very low41.6Very low67 Ų67129 Ų12969%0.69176%0.758SS**  trans-98.2-145.7162.800000112.2
261P45.8Very low41.3Very low125 Ų125127.1 Ų127.181%0.81276%0.759SS**  cis-107.71371037.2-27.6000113.5
262E35.3Very low41.4Very low130 Ų130129.3 Ų129.361%0.60776%0.757SS**  77.377.866.7-82.2-84.560.400115.1F264E262-F264 HydrophobicContact CB-CD2 4.26Å; E262-F264 HydrophobicContact CB-CE2 3.92Å; E262-F264 HydrophobicContact CG-CE2 4.23Å; E262-F264 PolarHBondContact O-N 3.47Å; E262-F264 WeakPolarHBondContact OE2-CZ 3.34Å
263T34.5Very low41.9Very low137 Ų137133.4 Ų133.484%0.8476%0.757SS**  trans-8990.2162.3-47.90000109R265T263-R265 PolarHBondContact O-N 3.12Å
264F38.7Very low41.5Very low156 Ų156135.6 Ų135.668%0.68476%0.756SS**  trans-59.1126.8-175.9-85.6-87000113.3E262E262-F264 HydrophobicContact CB-CD2 4.26Å; E262-F264 HydrophobicContact CB-CE2 3.92Å; E262-F264 HydrophobicContact CG-CE2 4.23Å; E262-F264 PolarHBondContact O-N 3.47Å; E262-F264 WeakPolarHBondContact OE2-CZ 3.34Å
265R44.2Very low41.4Very low234 Ų234135 Ų13588%0.88375%0.754SS**  trans-89.4127164.4-58.6177.8-176.4179.91.2109T263T263-R265 PolarHBondContact O-N 3.12Å
266I36.9Very low40.2Very low142 Ų142137.5 Ų137.573%0.72876%0.761SS**  trans-133.3111.1153.8-58-179.1000108.3T268I266-T268 HydrophobicContact CG2-CG2 4.02Å
267S32.3Very low40Very low123 Ų123139.2 Ų139.286%0.8676%0.764SS**  trans-95.7107.8156.3-74.60000107.7
268T39.5Very low40.1Very low127 Ų127141.5 Ų141.578%0.77977%0.766SS**  trans-106.8134.6158.237.60000109.2I266I266-T268 HydrophobicContact CG2-CG2 4.02Å
269V38.1Very low39.9Very low134 Ų134141.9 Ų141.981%0.81277%0.766SS**  trans-77.2151.4-170.5167.40000111.3
270T46.2Very low40.5Very low114 Ų114138.8 Ų138.870%0.69975%0.754SS**  trans-30.5148.5172.372.30000115.4
271T33.8Very low40.7Very low132 Ų132141.4 Ų141.481%0.8176%0.759SS**  -162.8137.482.229.80000116.3
272R35.7Very low40.4Very low186 Ų186143.1 Ų143.170%0.70276%0.76SS**  trans71.9102.1139.8-159.6178.5-147.4-103.99.4120.6
273K46Very low40.5Very low150 Ų150145.7 Ų145.765%0.65277%0.771SS**  trans58.3124.1145.7-57.8174.7177.7-175.60114.6
274H43.1Very low40.4Very low169 Ų169146.1 Ų146.178%0.78277%0.768SS**  cis-152.5156.942.8-63.5-103.1000111.9
275S49.1Very low40.3Very low97 Ų97144.6 Ų144.668%0.67877%0.767SS**  trans65144.2170.382.10000116.9
276N35.5Very low39.7Very low165 Ų165138.8 Ų138.888%0.88276%0.763SS**  trans-143.595.6154.9-85.6-38.7000106.2
277L48.6Very low39.4Very low142 Ų142137.7 Ų137.774%0.74377%0.768SS**  trans-62.7139.9159.2-85.367.9000107.5T279L277-T279 PolarHBondContact O-N 3.33Å
278I41.6Very low39.4Very low162 Ų162137.4 Ų137.483%0.83177%0.765SS**  trans-82.793.2164.3-65.2171.2000106.4V280I278-V280 HydrophobicContact CG2-CG2 4.14Å; I278-V280 PolarHBondContact O-N 3.42Å
279T42.6Very low39.1Very low118 Ų118143.5 Ų143.572%0.72477%0.774SS**  trans-84.6106.4169.6-52.60000108.2L277L277-T279 PolarHBondContact O-N 3.33Å
280V48Very low39.1Very low104 Ų104144.5 Ų144.563%0.6378%0.775SS**  trans-80.9129169.6-168.30000107.5I278 I282I278-V280 HydrophobicContact CG2-CG2 4.14Å; I278-V280 PolarHBondContact O-N 3.42Å; V280-I282 PolarHBondContact O-N 3.13Å; V280-I282 VanDerWaalsContact O-N 3.12Å
281P39.7Very low39Very low123 Ų123143 Ų14380%0.79977%0.767SS**  trans-65.6113.4175.1-18.631.6000109.9
282I39.8Very low38.9Very low161 Ų161145.1 Ų145.183%0.82677%0.767SS**  trans-94.4110.7162.5-56.4177.3000105.6V280V280-I282 PolarHBondContact O-N 3.13Å; V280-I282 VanDerWaalsContact O-N 3.12Å
283H37.2Very low39.6Very low183 Ų183142 Ų14285%0.84777%0.772SS**  trans-89.2108.1174.8-176.8-71.8000107.9
284D32.6Very low38.9Very low146 Ų146139.7 Ų139.778%0.78178%0.78SS**  trans-149.4149.5158.7-152.7-137.4000113.3
285D34.9Very low38.2Very low124 Ų124135.2 Ų135.266%0.66378%0.78SS**  trans-51.3138.1-168.5-166.8-92.6000117.9
286S32.4Very low38.1Very low113 Ų113136.7 Ų136.779%0.7979%0.787SS**  trans-179.2133.6133.7-84.60000112.6
287S31.8Very low37.9Very low119 Ų119132.7 Ų132.783%0.83278%0.784SS**  trans-74.5146.6-173.7-680000115.4
288S31.6Very low37.9Very low116 Ų116132.5 Ų132.581%0.81179%0.792SS**  trans-41.1145.6179-650000117.8
289R32.7Very low37.3Very low256 Ų256128.6 Ų128.697%0.96679%0.791SS**  trans-125.6122.9141.1-85-174.7163.6-157.6-4.9109.3
290D38.4Very low36.9Very low155 Ų155131.5 Ų131.583%0.82980%0.797SS**  trans-110.5158.4178-157.7-106.2000109.9
291P44Very low36.8Very low82 Ų82132.1 Ų132.153%0.53280%0.803SS.*  trans-120160.8-158.438-24000117.8
292H31.9Very low37.3Very low176 Ų176130 Ų13082%0.81579%0.789SS**  trans77.7168167.3-49.2-74.8000117.7
293P50.2Low37.1Very low122 Ų122129.2 Ų129.279%0.79278%0.782SS**  -135.9-174.4-59.340.6-25.7000115.1
294A31.2Very low37Very low100 Ų100127.6 Ų127.683%0.82677%0.774SS**  trans99.198.1152.500000122.8
295G28.8Very low37Very low75 Ų75128.1 Ų128.177%0.77377%0.772SS**  trans76.1167.213800000121.2
296P46.7Very low37.8Very low129 Ų129128 Ų12884%0.83878%0.778SS**  cis-137.5121.4-48.735.4-18.5000115.6
297G30.7Very low37.7Very low80 Ų80126.1 Ų126.183%0.82578%0.776SS**  trans56.2-170.3157.200000119.4
298P48.6Very low37.7Very low139 Ų139127.4 Ų127.490%0.90377%0.774SS**  cis-123.8175.7-28.240.3-27000112.5
299G29.1Very low38Very low79 Ų79131.8 Ų131.881%0.81477%0.774SS**  trans149.393.1164.100000117.4
300Q34.2Very low39Very low179 Ų179125 Ų12584%0.83676%0.763SS**  trans-77.1173.6160.5-104.9-169.4-21.600110.1
301P45.9Very low38.7Very low118 Ų118120.9 Ų120.977%0.76676%0.757SS**  cis-150.3-156.143.651.5-28.6000113.8
302P50.8Low38.4Very low79 Ų79125.6 Ų125.651%0.51377%0.772SS.*  -135.3-164.8-117.922.67.2000114.8
303H35.8Very low39.3Very low144 Ų144122.4 Ų122.467%0.66777%0.767SS**  trans125.1122134.5-76.8-59.7000120.3
304H33.9Very low39.3Very low149 Ų149121.5 Ų121.569%0.6976%0.761SS**  trans79.7160.7141.7-62.4-51.5000122.6
305H33.4Very low39.6Very low157 Ų157123 Ų12373%0.72776%0.76SS**  trans-147.4-177.6-158.448.6-113000107.3
306P50.8Low40.1Very low122 Ų122124.3 Ų124.379%0.79275%0.752SS**  cis-129.5-165.4-19.735.7-14.3000111.9
307G30.4Very low39.4Very low73 Ų73124 Ų12475%0.75375%0.754SS**  trans128.9107.8145.300000120.5
308D33.1Very low39.6Very low146 Ų146128.1 Ų128.178%0.78175%0.751SS**  trans44.6134.1134.6-141.7-124.2000126.3
309Y37.8Very low38.7Very low208 Ų208126.4 Ų126.482%0.81674%0.742SS**  trans68.6163.5155-101.2-118.9000120.2
310P53.3Low39.1Very low114 Ų114131.9 Ų131.974%0.7475%0.746SS**  trans-137.3179.1-131.234.5-9.8000117.1
311G31.8Very low39.6Very low68 Ų68132 Ų13270%0.70175%0.746SS**  trans126.7126.1147.100000119.2
312Q38.5Very low39.1Very low181 Ų181135.3 Ų135.385%0.84675%0.753SS**  trans63.4172.2164.4-62.6-66.8-19.400114.9
313P49.5Very low38.7Very low109 Ų109140.9 Ų140.971%0.70878%0.775SS**  cis-134.6-139.110.636.5-10.8000112.9
314P51.7Low39.1Very low103 Ų103138.6 Ų138.667%0.66978%0.781SS**  -130.3165.7-68.533-14.4000117.6
315V35.6Very low39.6Very low131 Ų131137 Ų13779%0.79478%0.784SS**  trans50.8111.3132.2179.20000122.9
316V40.2Very low40.3Very low103 Ų103134.8 Ų134.862%0.62478%0.783SS**  56.8129.5129.6-178.50000122.7H318V316-H318 WeakPolarHBondContact CG1-ND1 3.28Å
317S32Very low40.1Very low123 Ų123137.4 Ų137.486%0.8679%0.785SS**  -151.2146.2129.9-86.70000113.2
318H35.9Very low40.8Very low166 Ų166141.4 Ų141.477%0.76978%0.784SS**  trans-85.7178.4-176.4-65.866000110.3V316V316-H318 WeakPolarHBondContact CG1-ND1 3.28Å
319S29.5Very low41.3Very low102 Ų102142.2 Ų142.271%0.71379%0.788SS**  cis-162.8150.631.3-53.50000113.1
320H37.8Very low41.4Very low194 Ų194142.3 Ų142.390%0.89879%0.793SS**  trans-85.2148.8165.8-72.5-101.7000111.8
321H43.6Very low41.4Very low182 Ų182139.9 Ų139.984%0.84379%0.789SS**  trans-140.8145.7161.452.7-73.1000110.2
322M36.7Very low42.9Very low187 Ų187142.6 Ų142.692%0.92180%0.795SS**  trans-103.2150.8-166.3-57.9-153.9-171.900113.1
323M41.1Very low43.8Very low197 Ų197139.6 Ų139.697%0.9779%0.791SS**  trans-149.4145.4148.5-99.2-169.8174.900110.9
324A44.7Very low44.3Very low95 Ų95140 Ų14079%0.78579%0.793SS**PPolyproline II helixtrans-99.2151.3-17700000112.2
325P43.5Very low44.8Very low117 Ų117140.7 Ų140.776%0.7680%0.798SS**PPolyproline II helixtrans-91.3154.4177.235.8-33.7000113.2
326P48Very low46.1Very low109 Ų109140 Ų14071%0.70880%0.796SS**PPolyproline II helixtrans-80154.2-176.432.5-35.7000114.1
327Q48Very low47Very low178 Ų178140.8 Ų140.883%0.83280%0.803SS**PPolyproline II helixtrans-75.6134173.6-68.2-75.4-14.900111.2
328H44.8Very low48.3Very low157 Ų157140.1 Ų140.173%0.72780%0.796SS**  trans-135.9127.1165.2-82.4-78.7000111.2
329N42.9Very low48.7Very low163 Ų163138 Ų13887%0.87280%0.797SS**PPolyproline II helixtrans-61.1140.8-176.7-67.925.1000112.9
330F39.8Very low49.4Very low209 Ų209139.8 Ų139.892%0.91780%0.797SS**PPolyproline II helixtrans-90.5126162.8-71.5-89.1000110.3
331G54.9Low49.4Very low64 Ų64135.8 Ų135.866%0.6679%0.791SS**PPolyproline II helixtrans-78.6166.3164.800000112.1
332P62.5Low49.4Very low125 Ų125135 Ų13581%0.81279%0.787SS**PPolyproline II helixtrans-68.1153.7-179.529-34.9000112.4
333P58Low49.6Very low118 Ų118131.5 Ų131.577%0.76678%0.778SS**PPolyproline II helixtrans-71.8152.8-17830.4-35.9000112.8
334P59.1Low49.3Very low116 Ų116130.5 Ų130.575%0.75377%0.773SS**PPolyproline II helixtrans-71.6152.7176.530.7-35.4000112.4
335P63.4Low49Very low119 Ų119134.9 Ų134.977%0.77378%0.778SS**PPolyproline II helixtrans-71.9157.5178.830.5-35.6000112.9
336P61.9Low48.7Very low117 Ų117137.4 Ų137.476%0.7678%0.779SS**PPolyproline II helixtrans-70.8153.617830.3-35.7000112.7
337P58.3Low48.4Very low119 Ų119137.8 Ų137.877%0.77378%0.781SS**PPolyproline II helixtrans-71.5151.6178.430.4-35.4000112.5
338P59.4Low47.9Very low108 Ų108134.1 Ų134.170%0.70178%0.781SS**PPolyproline II helixtrans-71.1156.3179.130.5-35.8000112.6
339P45.7Very low47.6Very low123 Ų123135.7 Ų135.780%0.79979%0.789SS**PPolyproline II helixtrans-67.9133.5178.428.5-34.4000111.5S341P339-S341 PolarHBondContact O-N 3.21Å
340I42.5Very low47.1Very low138 Ų138132.6 Ų132.671%0.70879%0.786SS**  trans-79.2103.9179.9-66.5170.5000109.6H342I340-H342 WeakPolarHBondContact CG2-CD2 3.43Å; I340-H342 WeakPolarHBondContact CG2-NE2 3.46Å
341S39.8Very low47Very low110 Ų110128.6 Ų128.677%0.76978%0.784SS**  trans-92.492.5168.957.30000110.5P339 P343P339-S341 PolarHBondContact O-N 3.21Å; S341-P343 WeakPolarHBondContact O-CD 3.37Å
342H41.6Very low46.1Very low166 Ų166128.9 Ų128.977%0.76979%0.787SS**PPolyproline II helixtrans-86.7120.3169.6-70.5-51000110.7I340I340-H342 WeakPolarHBondContact CG2-CD2 3.43Å; I340-H342 WeakPolarHBondContact CG2-NE2 3.46Å
343P41Very low44.8Very low113 Ų113129.8 Ų129.873%0.73479%0.791SS**PPolyproline II helixtrans-75137.4160.231.4-31.4000109.8S341 Q345S341-P343 WeakPolarHBondContact O-CD 3.37Å; P343-Q345 PolarHBondContact O-N 2.94Å
344M36Very low44.4Very low176 Ų176129.8 Ų129.887%0.86779%0.791SS**PPolyproline II helixtrans-67.7118.1176.6-164.488.673.700110
345Q37.6Very low43.2Very low188 Ų188132 Ų13288%0.87979%0.791SS**PPolyproline II helixtrans-81.6122.4172.4-75.1-174.2-3200110.7P343P343-Q345 PolarHBondContact O-N 2.94Å
346H37.6Very low42.1Very low170 Ų170134.1 Ų134.179%0.78779%0.792SS**PPolyproline II helixtrans-89.4151.6166.9-102.8-145.3000110.8
347P42Very low41.2Very low116 Ų116134.9 Ų134.975%0.75379%0.794SS**PPolyproline II helixtrans-74155176.332-35000112.2
348A36.5Very low40.1Very low101 Ų101138.9 Ų138.984%0.83580%0.795SS**PPolyproline II helixtrans-67.3143.3-172.400000114.4
349Q38.6Very low38.8Very low191 Ų191139.4 Ų139.489%0.89379%0.793SS**  trans-124.5151.7166.3-82.7-86.6-41.500108.7
350A32.2Very low38.5Very low98 Ų98142.6 Ų142.681%0.8180%0.797SS**  trans-76.2161.4-161.100000115.4
351S38.7Very low38.4Very low125 Ų125140.6 Ų140.687%0.87480%0.801SS**  trans-70.4142.4-177.748.70000115.2
352G34.9Very low38.9Very low70 Ų70140.9 Ų140.972%0.72280%0.8SS**  trans175.963.2169.400000117.7
353T37.1Very low39.3Very low144 Ų144138.9 Ų138.988%0.88380%0.802SS**  trans38.7154.1147.443.50000123.9
354P47.8Very low39.9Very low118 Ų118139.1 Ų139.177%0.76680%0.804SS**  trans-111.5165-144.941.2-35000116.8
355H35.2Very low40.4Very low163 Ų163137 Ų13776%0.75580%0.803SS**  trans-148.3113.6158.4-147.7-105.3000115.5
356M40.6Very low40.8Very low163 Ų163136.7 Ų136.780%0.80380%0.804SS**  trans64.5141.5148.6-64.8-164.1-179.400124.8
357V42.8Very low40.7Very low133 Ų133134.5 Ų134.581%0.80681%0.807SS**  trans-88.8139.4178.9161.50000110.9
358Y33.7Very low40.6Very low202 Ų202133.7 Ų133.779%0.79281%0.811SS**  trans-159.8129.1133.1-141.4-119.3000116.1
359N32.8Very low40.9Very low120 Ų120133.4 Ų133.464%0.64281%0.808SS**  trans62.3150.4154.2-80.412.8000125.4
360Q40Very low41.3Very low189 Ų189130.1 Ų130.188%0.88380%0.803SS**  trans-119.8151.4-173.4-56.2154.83500109
361A40.6Very low42.2Very low97 Ų97130.9 Ų130.980%0.80280%0.8SS**  trans154.9174.9147.600000110.5
362P50.2Low42.6Very low116 Ų116131 Ų13175%0.75380%0.798SS**  -110.4172.1-102.623-1.2000114.1
363P48.8Very low43.1Very low124 Ų124135.4 Ų135.481%0.80580%0.803SS**PPolyproline II helixtrans-83.3140.8-173.632.6-35.1000114.2
364P54.8Low43.5Very low118 Ų118134.6 Ų134.677%0.76680%0.798SS**PPolyproline II helixtrans-85.3164.1165.534.7-33.1000112.4
365P45.7Very low43.7Very low131 Ų131134.5 Ų134.585%0.85180%0.797SS**PPolyproline II helixtrans-84.6168.6-160.433.7-37.6000115.7
366M46.3Very low44.1Very low182 Ų182132.5 Ų132.590%0.89780%0.799SS**PPolyproline II helixtrans-66.5136.1-176.9-52.1176.772.900113.5
367S35.9Very low44.4Very low123 Ų123130.5 Ų130.586%0.8680%0.798SS**  trans-166.4128.2144.5-86.50000113.4
368A39.2Very low44Very low100 Ų100127.2 Ų127.283%0.82679%0.791SS**  trans30.6135.8151.800000123.6
369A42Very low44.1Very low95 Ų95125.8 Ų125.879%0.78579%0.792SS**  trans86.9128.215200000119.8
370P47.3Very low44.5Very low121 Ų121127.6 Ų127.679%0.78680%0.8SS**PPolyproline II helixtrans-85.2153.3170.135.1-33.8000112.6
371P51.3Low44.3Very low114 Ų114126.3 Ų126.374%0.7480%0.795SS**PPolyproline II helixtrans-78.3152.9-178.432.1-35.8000113.6
372P47.8Very low44Very low128 Ų128125.4 Ų125.483%0.83180%0.795SS**PPolyproline II helixtrans-77.1142.217931.6-34.8000113
373I46.2Very low43.4Very low163 Ų163127.3 Ų127.384%0.83679%0.794SS**PPolyproline II helixtrans-92.8123.8178.8-59.8168.4000109.7
374T45.1Very low42.7Very low126 Ų126129.2 Ų129.277%0.77380%0.796SS**PPolyproline II helixtrans-86.3130171.945.40000112
375P50.9Low42.1Very low116 Ų116128.7 Ų128.775%0.75379%0.793SS**PPolyproline II helixtrans-83.7149.4170.833.4-33.5000112.5
376P44Very low42Very low121 Ų121128.2 Ų128.279%0.78679%0.79SS**PPolyproline II helixtrans-82.2163.617833.8-35.6000113.5
377P47.3Very low41.6Very low121 Ų121129.5 Ų129.579%0.78679%0.786SS**  trans-104.8138.4-169.114.56.4000115.3
378G34.5Very low41.9Very low64 Ų64130.1 Ų130.166%0.6678%0.778SS**  trans95.8152.1172.700000114.5
379H35.9Very low41.7Very low173 Ų173132.4 Ų132.480%0.80178%0.776SS**  cis-149.7135.114.9-33.9-83.4000113.4
380I40Very low41.8Very low158 Ų158135.3 Ų135.381%0.8177%0.774SS**  trans60.5102.1134.3-52.9167.6000121
381M36.4Very low41.9Very low161 Ų161135 Ų13579%0.79377%0.771SS**  64.9118.8128.6-156.766.666.100122.8
382G34.3Very low42Very low78 Ų78135.1 Ų135.180%0.80477%0.772SS**  trans-160.584.7165.800000112.2
383Q37.1Very low42Very low156 Ų156135.3 Ų135.373%0.72977%0.773SS**  trans-32.7137.7-178.1-66.5-83.59.700118.3
384I34.5Very low42.1Very low165 Ų165130.7 Ų130.785%0.84677%0.766SS**  trans-177.2142135.4-92.3149.4000107.9
385P41.8Very low42.6Very low107 Ų107130.5 Ų130.570%0.69577%0.767SS**  trans-95.6152.3-140.934.7-36.6000116.8
386P43.9Very low42.3Very low121 Ų121130.5 Ų130.579%0.78677%0.767SS**  trans-90.5120.7168.534.3-29.4000111.6
387Y38.8Very low42.3Very low209 Ų209130 Ų13082%0.8276%0.764SS**  trans-137.896.6158.2-102.8-83.1000109.6
388I42.5Very low42Very low136 Ų136133.2 Ų133.270%0.69777%0.768SS**  trans-157.3115.9148.7-95.9145.3000104.6H390I388-H390 WeakPolarHBondContact CG2-CE1 3.08Å
389N34.9Very low42.2Very low147 Ų147138.8 Ų138.879%0.78678%0.777SS**  trans-82.5119.3178.2-79.5-75.6000109.1
390H42.8Very low42.3Very low157 Ų157136.4 Ų136.473%0.72778%0.779SS**  trans-104.4119.9161.5-38-81.6000107.4I388I388-H390 WeakPolarHBondContact CG2-CE1 3.08Å
391P50.1Low42.1Very low114 Ų114132.1 Ų132.174%0.7477%0.774SS**PPolyproline II helixtrans-70.6142167.529.8-32.3000109.5
392P52.6Low42.3Very low117 Ų117130.5 Ų130.576%0.7678%0.776SS**PPolyproline II helixtrans-69.7150.6177.729.3-34.7000111.5G394P392-G394 PolarHBondContact O-N 3.33Å
393P48.9Very low42.8Very low131 Ų131132.8 Ų132.885%0.85178%0.777SS**PPolyproline II helixtrans-67.8131176.527.9-33.6000111.2
394G47.6Very low42.9Very low66 Ų66132.2 Ų132.268%0.6878%0.784SS**PPolyproline II helixtrans-78.6166.8175.700000113.8P392P392-G394 PolarHBondContact O-N 3.33Å
395P56.5Low43.3Very low123 Ų123132.6 Ų132.680%0.79979%0.787SS**PPolyproline II helixtrans-70159.2178.730.3-35.5000112.8
396P44.4Very low43.1Very low116 Ų116131.5 Ų131.575%0.75379%0.787SS**PPolyproline II helixtrans-72.4150.1-173.329.5-36000113.3
397P44.4Very low43.1Very low111 Ų111131.4 Ų131.472%0.72179%0.787SS**PPolyproline II helixtrans-76.6129.8-179.4-9.426.1000112.5H399P397-H399 PolarHBondContact O-N 3.13Å
398Q40.9Very low43.5Very low187 Ų187126.8 Ų126.887%0.87478%0.782SS**  trans-78.5105.7165.7-70.3-72.4-3.700109.4
399H38.7Very low43.6Very low181 Ų181125.8 Ų125.884%0.83878%0.784SS**  trans-82.2117.1175.2-101.3-94.2000111.2P397P397-H399 PolarHBondContact O-N 3.13Å
400S38Very low44Very low123 Ų123127.7 Ų127.786%0.8679%0.788SS**  trans-137105.3164.9510000109.8
401G36Very low43.9Very low68 Ų68129.3 Ų129.370%0.70180%0.796SS**  trans-176.3140.6-178.500000112.1
402P39.8Very low43.1Very low127 Ų127134.2 Ų134.283%0.82580%0.801SS**  trans-83.4170.7-168.135.1-37.4000114.2
403P44.1Very low42.4Very low127 Ų127134.3 Ų134.383%0.82580%0.795SS**  trans-87.1148.6-15333.8-36.1000114.9
404V39.5Very low41.9Very low144 Ų144133.3 Ų133.387%0.87379%0.789SS**  trans-114.2134.2160.5-690000109.7
405N42.6Very low41.7Very low172 Ų172134.9 Ų134.992%0.9279%0.789SS**  trans-90.6119.6-167.2-156.82.9000110.1
406A38.4Very low40.8Very low84 Ų84133.8 Ų133.869%0.69479%0.785SS**  trans-144.8136.4175.300000110.5
407P44.7Very low40.5Very low120 Ų120135.6 Ų135.678%0.77979%0.785SS**PPolyproline II helixtrans-75.6152.8-169.330-35.5000113.4
408P46.9Very low40.3Very low111 Ų111137.9 Ų137.972%0.72179%0.786SS**PPolyproline II helixtrans-73.8144.6-175.430-35.4000112.9
409P43.8Very low40.2Very low115 Ų115136.8 Ų136.875%0.74778%0.781SS**PPolyproline II helixtrans-70.8132.8175.729.1-33.6000111.4H411P409-H411 PolarHBondContact O-N 3.46Å
410H43.3Very low39.8Very low188 Ų188137.2 Ų137.287%0.8778%0.781SS**PPolyproline II helixtrans-57.7131-173.3-66-87.9000113.6Y412H410-Y412 PolarHBondContact O-N 2.97Å
411H40.3Very low39.4Very low190 Ų190136.1 Ų136.188%0.8877%0.773SS**PPolyproline II helixtrans-72.6119.9166.5-61.7-11.4000109.8P409 N413P409-H411 PolarHBondContact O-N 3.46Å; H411-N413 PolarHBondContact O-N 2.95Å
412Y34.4Very low39.3Very low218 Ų218141.4 Ų141.486%0.85578%0.779SS**  trans-85.4112.6177-162.9-95.1000110.7H410H410-Y412 PolarHBondContact O-N 2.97Å
413N36.9Very low39.2Very low118 Ų118142.2 Ų142.263%0.63178%0.776SS**  trans-105117.8177.4179.34.2000109.7H411 S415H411-N413 PolarHBondContact O-N 2.95Å; N413-S415 VanDerWaalsContact C-N 3.26Å; N413-S415 PolarHBondContact O-N 3.33Å
414P39.6Very low38.7Very low111 Ų111144.8 Ų144.872%0.72178%0.777SS**SBendtrans-8551.9-173.336.4-37.2000112.8
415S42.5Very low38.3Very low99 Ų99140.8 Ų140.869%0.69277%0.766SS**  trans-153.757.3-175.6-72.60000115.6N413N413-S415 VanDerWaalsContact C-N 3.26Å; N413-S415 PolarHBondContact O-N 3.33Å
416S38.1Very low38.2Very low100 Ų100139 Ų13970%0.69976%0.761SS**  trans-175.8129.3163.9510000107
417M37Very low38Very low154 Ų154142.8 Ų142.876%0.75977%0.769SS**  cis-143.3145.531.9-56.1-84.9-102.100107.7
418Q40.2Very low37.7Very low159 Ų159142.5 Ų142.574%0.74377%0.77SS**  52.18968.1-79.7-174.2-11.200116.7
419Q40Very low37.8Very low163 Ų163143 Ų14376%0.76277%0.773SS**  59108.8113.9-169.8176-20.500120
420F28.9Very low38.3Very low191 Ų191143.3 Ų143.384%0.83878%0.775SS**  trans-140.2153158.3-58.2-79.2000110
421S30.4Very low37.7Very low99 Ų99142.8 Ų142.869%0.69277%0.771SS**  trans-121.2164.2-164.2-54.50000114.5
422E33.5Very low37.4Very low180 Ų180139.2 Ų139.284%0.84177%0.767SS**  trans41.3121.9152.8-10892103.300123.1
423D38.1Very low37.7Very low143 Ų143135.7 Ų135.777%0.76576%0.758SS**  trans76.9152.8131.3-157.4-126000122.9
424Q33.8Very low37.8Very low181 Ų181135.9 Ų135.985%0.84677%0.766SS**  trans72.1137.7-174.5-53.9178.721.200115.8
425G30.7Very low37.3Very low61 Ų61134.1 Ų134.163%0.62977%0.768SS**  cis166.4126-7.100000112.6
426T40.6Very low37Very low135 Ų135133 Ų13383%0.82877%0.772SS**  trans65.8154.1156.4720000122
427L34.6Very low37.1Very low162 Ų162136.6 Ų136.685%0.84878%0.782SS**  trans85.2102.8158.5-50.3-174.3000121.5
428S37.8Very low37.1Very low115 Ų115134.9 Ų134.980%0.80479%0.785SS**  trans-67.5161.9149.3-35.50000111.5
429P49.2Very low37.5Very low121 Ų121133.5 Ų133.579%0.78679%0.79SS**  -157.5-173.8102.140.2-21.6000114.7
430P54.2Low37Very low121 Ų121129 Ų12979%0.78679%0.787SS**  cis-124.2171.4-34.428-9.2000113.5
431F30.2Very low37.4Very low178 Ų178128.6 Ų128.678%0.78179%0.79SS**  trans-87.1142.3175-171.6-100.4000111.5Q433F431-Q433 HydrophobicContact CD1-CG 4.39Å; F431-Q433 HydrophobicContact CE1-CB 3.9Å; F431-Q433 HydrophobicContact CE1-CG 3.54Å; F431-Q433 HydrophobicContact CE2-CG 4.39Å; F431-Q433 HydrophobicContact CZ-CB 4.41Å; F431-Q433 HydrophobicContact CZ-CG 3.55Å
432S35.3Very low37.9Very low115 Ų115136 Ų13680%0.80480%0.803SS**  trans-141.9105.3168.7-720000110.9
433Q39.7Very low38.5Very low143 Ų143133.3 Ų133.367%0.66880%0.801SS**  trans-112.8146.4165.5-79.7-95-5500108.5F431F431-Q433 HydrophobicContact CD1-CG 4.39Å; F431-Q433 HydrophobicContact CE1-CB 3.9Å; F431-Q433 HydrophobicContact CE1-CG 3.54Å; F431-Q433 HydrophobicContact CE2-CG 4.39Å; F431-Q433 HydrophobicContact CZ-CB 4.41Å; F431-Q433 HydrophobicContact CZ-CG 3.55Å
434P38.9Very low38.6Very low123 Ų123130.8 Ų130.880%0.79980%0.8SS**  trans-110.3148.6131-10.529.1000111
435G29.6Very low39.4Very low74 Ų74128.4 Ų128.476%0.76380%0.801SS**  trans-65.4172.1-178.800000114.1
436G37Very low39.7Very low74 Ų74137.7 Ų137.776%0.76382%0.817SS**  cis112.880.818.200000110.1
437L38.6Very low39.9Very low176 Ų176134.4 Ų134.492%0.92181%0.809SS**  trans-139.8151.5168.4-74-180000110.4
438S37.6Very low40.8Very low118 Ų118132.7 Ų132.783%0.82581%0.808SS**  trans-83171.8-162.8-80.80000114.9
439P48.1Very low41.4Very low131 Ų131132.9 Ų132.985%0.85181%0.807SS**  trans-86.7150.3-157.934.4-35.4000114.2
440G30.5Very low41.5Very low67 Ų67133.3 Ų133.369%0.69181%0.81SS**  trans-164.9133173.900000115.3
441M37.7Very low40.9Very low183 Ų183138.8 Ų138.890%0.90182%0.815SS**  trans64.490.2147.7-62.9156.257.200119
442W40.3Very low41.5Very low255 Ų255138.5 Ų138.597%0.96682%0.818SS**PPolyproline II helixtrans-81.4125.1147.8-67.794.4000109.6
443P47.1Very low41.8Very low124 Ų124142.5 Ų142.581%0.80582%0.824SS**PPolyproline II helixtrans-75.5125.6174.7-1631.2000111.9
444A40Very low42Very low90 Ų90139 Ų13974%0.74483%0.826SS**PPolyproline II helixtrans-100.3131.1168.700000110.6
445P48.9Very low42.5Very low131 Ų131139.2 Ų139.285%0.85183%0.827SS**PPolyproline II helixtrans-82.3117.5165.6-6.724.7000110.1
446R38Very low43.9Very low255 Ų255141.4 Ų141.496%0.96283%0.828SS**PPolyproline II helixtrans-81.8135.7168.3-73.6-179.9174.9171-1.6110.2
447G43.8Very low44.6Very low66 Ų66144 Ų14468%0.6883%0.831SS**  trans-146.8138.4165.800000110.3
448P55.3Low44.7Very low126 Ų126145 Ų14582%0.81883%0.831SS**PPolyproline II helixtrans-80.8162-175.332.9-35.5000113.7
449P49.6Very low44.8Very low119 Ų119143 Ų14377%0.77383%0.83SS**PPolyproline II helixtrans-88.2145.6-169.834.3-34.8000113.8
450P50.6Low44.2Very low131 Ų131145.1 Ų145.185%0.85183%0.828SS**PPolyproline II helixtrans-80.3137.9165.832-31.6000111.7
451R42.9Very low44.3Very low236 Ų236149.6 Ų149.689%0.89183%0.833SS**PPolyproline II helixtrans-90.7139.3-176.7-165.4174.989.6168.76.8111.9
452M41.9Very low44.6Very low171 Ų171146 Ų14684%0.84282%0.824SS**  trans-13.7127.2167-62.9-79.69500117.7
453Q40.8Very low44.5Very low199 Ų199136.4 Ų136.493%0.9380%0.804SS**  trans-133.1138.5146.7-69-16842.500109.1
454G44.4Very low44.3Very low69 Ų69137 Ų13771%0.71181%0.808SS**  trans-88.5-176-170.500000114.8
455P50.6Low44.3Very low128 Ų128141.4 Ų141.483%0.83181%0.812SS**PPolyproline II helixtrans-72.1145.2-179.130.1-34.8000112.5
456P57.8Low43.7Very low120 Ų120142.7 Ų142.778%0.77981%0.807SS**PPolyproline II helixtrans-72.7159.9174.630.4-34.4000112.7
457P51.2Low44.1Very low128 Ų128135.4 Ų135.483%0.83179%0.792SS**PPolyproline II helixtrans-84.1169.4-162.433.8-37.8000115.4G459P457-G459 PolarHBondContact O-N 3.46Å
458Q42.5Very low43.7Very low197 Ų197138.9 Ų138.992%0.92180%0.795SS**PPolyproline II helixtrans-59.1122.9179.5-64.5174.8-74.100113.3
459G37.8Very low42.9Very low77 Ų77141.1 Ų141.179%0.79480%0.795SS**PPolyproline II helixtrans-90140.9153.300000110.2P457P457-G459 PolarHBondContact O-N 3.46Å
460Q36.2Very low42.1Very low175 Ų175140.7 Ų140.782%0.81880%0.795SS**PPolyproline II helixtrans-87.3166.3-174.5-59.2-179.816.200113.5
461M33.6Very low41.8Very low161 Ų161145.7 Ų145.779%0.79380%0.797SS**  trans80152.1160.3-46.5-56.5-89.500118.3
462P44Very low41.4Very low109 Ų109145.4 Ų145.471%0.70880%0.797SS**  cis-127177.4-42.434.7-18.7000112.7
463G38.5Very low41.6Very low53 Ų53144.8 Ų144.855%0.54679%0.785SS.*  trans-75.6-178.4-167.400000118H465G463-H465 PolarHBondContact O-N 3.39Å
464P42.4Very low42Very low137 Ų137141.1 Ų141.189%0.8978%0.779SS**PPolyproline II helixtrans-77.6120.2-168.530.1-35.1000113.6
465H38.4Very low41.7Very low181 Ų181146 Ų14684%0.83878%0.777SS**PPolyproline II helixtrans-79.5117.8171.9-74.6-92.8000111.9G463G463-H465 PolarHBondContact O-N 3.39Å
466H36.6Very low41.3Very low159 Ų159150.3 Ų150.374%0.73678%0.778SS**PPolyproline II helixtrans-99170.6152.8-145.1-128.1000106.9
467P46.6Very low40.3Very low101 Ų101156.4 Ų156.466%0.65680%0.796SS**  trans-101.5-156.5-134.321.36000109.7
468D35.7Very low39.8Very low139 Ų139157.8 Ų157.874%0.74380%0.795SS**  trans76.489.4175.5-145.9-72.6000114.5
469Q37.9Very low39.7Very low174 Ų174155.7 Ų155.781%0.81379%0.788SS**  -160.1125.7106.8-109.4174.587.300112.3
470S33.5Very low39.8Very low110 Ų110160.1 Ų160.177%0.76979%0.788SS**  trans-69.1123.1169.849.60000111.7
471R45.1Very low40Very low236 Ų236159.2 Ų159.289%0.89179%0.786SS**  trans-127101.8152.3-79.4-159.1-166.5162.26.3111.7
472Y34.3Very low40.4Very low229 Ų229159.1 Ų159.190%0.89879%0.785SS**  trans15.7138.2141.5-135.6-104.3000121.8
473R45.4Very low40.1Very low158 Ų158162.5 Ų162.560%0.59679%0.791SS**  trans-49.5162.2171.6-104.8-171.1179.2-151.21116.3Y475R473-Y475 VanDerWaalsContact NH1-CD1 3.32Å; R473-Y475 VanDerWaalsContact NH1-CD2 3.3Å
474P48.6Very low40.2Very low123 Ų123170.3 Ų170.380%0.79981%0.808SS**  -117.8142.183.735.3-30.9000111.9
475Y38.7Very low40.1Very low170 Ų170172.8 Ų172.867%0.66780%0.802SS**  61.1124.967-95.6-68.1000115R473R473-Y475 VanDerWaalsContact NH1-CD1 3.32Å; R473-Y475 VanDerWaalsContact NH1-CD2 3.3Å
476Y42.5Very low40.2Very low220 Ų220172.2 Ų172.286%0.86380%0.799SS**  trans71.8100.4-175.2-70.5-82.4000117.9
477Q37.6Very low40.5Very low247 Ų247173.4 Ų173.4100%1.15480%0.804SS**  -148.4098.5-165.469.788.600109.3

Retrieved 477 of 477 residues in 406.2 ms (Link to these results)