A0A096MV71_PAPAN Loading...

Heterogeneous nuclear ribonucleoprotein D-like

Acts as a transcriptional regulator. Promotes transcription repression. Promotes transcription activation in differentiated myotubes. Binds to double- and single-stranded DNA sequences. Binds to the transcription suppressor CATR sequence of the COX5B promoter. Binds with high affinity to RNA molecules that contain AU-rich elements (AREs) found within the 3'-UTR of many proto-oncogenes and cytokine mRNAs. Binds both to nuclear and cytoplasmic poly(A) mRNAs. Binds to poly(G) and poly(A), but not to poly(U) or poly(C) RNA homopolymers. Binds to the 5'-ACUAGC-3' RNA consensus sequence.

AlphaFold DB (A0A0D9QWR3), UniProt , Accession A0A096MV71, Species PAPAN (Papio anubis, Olive baboon), Gene HNRNPDL, Length 420 aa.

Structure Viewer
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.8Very low52.4Low240 Ų240155.4 Ų155.4100%1.18284%0.839SS**  0110.10-61177.3-179.500103.8
2E44.2Very low53.4Low193 Ų193151.2 Ų151.290%0.90283%0.826SS**  -156.4164.360.1-89.7171.4115.900111.9
3V56.8Low53.3Low129 Ų129147.8 Ų147.878%0.78282%0.816SS**PPolyproline II helixtrans-79.5141.9-174.3178.20000111
4P63.5Low52.8Low113 Ų113149 Ų14973%0.73482%0.819SS**PPolyproline II helixtrans-81.7136.4162.530.7-30.8000111.2
5P66.1Low52.5Low132 Ų132152.9 Ų152.986%0.85783%0.825SS**PPolyproline II helixtrans-82.8162.1-178.532.7-33.1000113.9
6R47.4Very low52.8Low222 Ų222151.3 Ų151.384%0.83883%0.825SS**PPolyproline II helixtrans-89.8156.9-165.9-75.4176.7169.7-1331114.6
7L47.4Very low52.1Low137 Ų137149.1 Ų149.172%0.71782%0.823SS**  trans55.8123.8137.1-83.6139.6000120.5
8S53.6Low52Low126 Ų126146 Ų14688%0.88182%0.821SS**  -149.1136123.758.90000111.9
9H48.8Very low52.1Low171 Ų171144.9 Ų144.979%0.79282%0.821SS**  trans-115.6173.5-176.9-14923.8000106.6
10V49.8Very low51.6Low133 Ų133142.6 Ų142.681%0.80682%0.82SS**  trans109144.1164.2-174.80000115.1
11P53.9Low51.2Low113 Ų113142.7 Ų142.773%0.73482%0.823SS**  -131.9-129.7-109.129.42.3000114.5
12P64.1Low51Low105 Ų105139.6 Ų139.668%0.68281%0.81SS**  -103.4-168.9-122.340.6-20.9000115.6
13P53.1Low50.6Low108 Ų108134.6 Ų134.670%0.70180%0.802SS**  -149.2135.6103.834.7-15000116
14L45.8Very low49.8Very low164 Ų164133.5 Ų133.586%0.85980%0.801SS**  72.7100.5104.2-59.1169.5000116.6
15F49Very low48.6Very low207 Ų207139.7 Ų139.791%0.90881%0.809SS**PPolyproline II helixtrans-102.9135158-77.8-81.1000109.7
16P56.6Low47.1Very low128 Ų128138.7 Ų138.783%0.83181%0.805SS**PPolyproline II helixtrans-83.2138175.631-30.5000112.7
17S41.7Very low46.6Very low113 Ų113135.1 Ų135.179%0.7980%0.802SS**PPolyproline II helixtrans-72153.9178.248.40000114.5
18A49Very low46.2Very low94 Ų94134 Ų13478%0.77781%0.806SS**PPolyproline II helixtrans-56.9159.3162.400000113.1
19P53.8Low45.8Very low126 Ų126135.9 Ų135.982%0.81880%0.8SS**  trans-112131.2156.833.8-24.5000112.2
20A42.4Very low45.1Very low98 Ų98140 Ų14081%0.8181%0.809SS**  trans-123.3128.2156.500000107.5
21T43.1Very low44.7Very low145 Ų145144.8 Ų144.889%0.8981%0.813SS**  trans-151.1137.5158.333.50000111.7
22L40.6Very low44.1Very low174 Ų174145.7 Ų145.791%0.91182%0.818SS**  trans-78.5160.4-176.6-71.4103.4000114.8
23A36.9Very low42.8Very low89 Ų89151.7 Ų151.774%0.73683%0.827SS**  trans-175.2103.5130.600000108.9
24S39.3Very low42.5Very low106 Ų106150.6 Ų150.674%0.74183%0.827SS**  66.2109.991.777.30000116.2
25R37.3Very low42.7Very low243 Ų243149 Ų14992%0.91783%0.827SS**  168.1128.4121.5-96.2172.3137.8-154.9-4.5114.4
26S35Very low42.3Very low110 Ų110150 Ų15077%0.76982%0.824SS**  trans80.4119136.1-1580000122.3
27L37.8Very low41.4Very low147 Ų147152.9 Ų152.977%0.7783%0.827SS**  trans-27.4141.3159.3-74.173.7000116.6
28S38.1Very low41.2Very low114 Ų114155.7 Ų155.780%0.79783%0.832SS**  -178.1135.6102.832.60000112.6
29H45.6Very low41Very low165 Ų165155.5 Ų155.576%0.76483%0.831SS**  trans-15.5140.6161.1-65.161.7000116.7
30W33.6Very low40.9Very low258 Ų258155.5 Ų155.598%0.97783%0.831SS**  -175.1142123-101.943.9000111.7
31R41.8Very low40.8Very low234 Ų234159 Ų15988%0.88384%0.835SS**PPolyproline II helixtrans-73.7161.6-172.6-86.7174.6163.5-127.21114
32P42.1Very low40.9Very low131 Ų131159.4 Ų159.485%0.85183%0.831SS**PPolyproline II helixtrans-73.3139176.730.8-33.7000112
33R36.7Very low41.2Very low231 Ų231157.2 Ų157.287%0.87283%0.827SS**PPolyproline II helixtrans-101.2120.7178.4-140.4179.9-172.2-1663.9109.3
34A46.8Very low41.1Very low85 Ų85157.7 Ų157.770%0.70283%0.825SS**PPolyproline II helixtrans-66.5150.8173.200000112R36A34-R36 PolarHBondContact O-N 3.34Å
35P50Low41Very low131 Ų131161.1 Ų161.185%0.85183%0.834SS**PPolyproline II helixtrans-73.8125.717128.1-30.1000110.8
36R39.9Very low41.2Very low227 Ų227153.7 Ų153.786%0.85782%0.824SS**PPolyproline II helixtrans-64.9134.9175.9-83.3175.6158.3-171.2-7.4111A34A34-R36 PolarHBondContact O-N 3.34Å
37Q37.2Very low42.2Very low190 Ų190154.4 Ų154.489%0.88883%0.826SS**PPolyproline II helixtrans-64.6139.5161.7-63.6-1483.800111.1
38L39Very low42.1Very low171 Ų171153.4 Ų153.490%0.89583%0.832SS**  trans-115.5107.4164.7-89.4160.1000107.5
39A43.6Very low42Very low90 Ų90152.8 Ų152.874%0.74483%0.827SS**PPolyproline II helixtrans-80.4145.2163.100000109.5
40P52.9Low41.5Very low126 Ų126149.1 Ų149.182%0.81883%0.826SS**PPolyproline II helixtrans-100.3150.3153.532.7-25.6000111.7
41L39.7Very low41.6Very low171 Ų171147 Ų14790%0.89582%0.817SS**PPolyproline II helixtrans-66.9153.3-172.1-68147.2000113.7
42L44.2Very low41.2Very low154 Ų154144 Ų14481%0.80681%0.814SS**PPolyproline II helixtrans-52.4164.8168.6-73.1154.6000113.5
43P47Very low40.8Very low129 Ų129141.6 Ų141.684%0.83881%0.813SS**  -130.6138.2104.335.2-26.5000113.5
44S36Very low40.7Very low98 Ų98135.1 Ų135.169%0.68581%0.808SS**  trans-88.7132.4165.864.20000110.3
45L37.5Very low40.3Very low179 Ų179142.7 Ų142.794%0.93782%0.819SS**  trans-160.3115.2147.8-103.1148.5000108.1
46A39.7Very low39.6Very low86 Ų86147.3 Ų147.371%0.71182%0.819SS**  trans-108-169167.700000108.1
47P56.9Low39.4Very low125 Ų125141.3 Ų141.381%0.81282%0.818SS**  -122.4166.8-65.734.4-20000111.3
48S36.4Very low39.3Very low126 Ų126139.3 Ų139.388%0.88181%0.809SS**  trans-161.7158.7151.9-159.10000113.3
49S34.9Very low39.2Very low101 Ų101143.4 Ų143.471%0.70681%0.812SS**  trans-104.6156.8-146.955.40000115.7
50A35Very low38.7Very low88 Ų88146.3 Ų146.373%0.72781%0.81SS**  trans68.7120.2137.100000120.5
51R35.9Very low37.7Very low213 Ų213145.8 Ų145.880%0.80480%0.804SS**  169132.496.2-100.7-174.9-175-142.42.3112.7
52Q34.7Very low37.4Very low172 Ų172143.8 Ų143.880%0.80480%0.8SS**  trans40.6129133.6-69.9171.4-2.200121.3
53G32Very low37.1Very low81 Ų81140.4 Ų140.484%0.83579%0.794SS**  trans-17776.5159.600000113.1
54A35.4Very low36.3Very low94 Ų94143.3 Ų143.378%0.77780%0.796SS**  trans-68.3150.1173.500000113.3
55R39.1Very low36.5Very low244 Ų244147.2 Ų147.292%0.92180%0.804SS**  trans174.2100.7144.5-94.7159.9-165.4-108.85.3106.6
56R34.8Very low37.5Very low229 Ų229144 Ų14486%0.86479%0.793SS**  51.9100.571.5-158-178.2-170.6-149.13.4113.3
57A35.7Very low37.2Very low101 Ų101145.3 Ų145.384%0.83580%0.798SS**  trans-159.597.8137.500000109.6
58Q34.8Very low36.1Very low148 Ų148150.9 Ų150.969%0.69280%0.802SS**  trans-70.9140.7155.8-71.3168.2-39.700108.3
59R36.8Very low36Very low256 Ų256153 Ų15397%0.96680%0.803SS**  trans-141.5142136.7-85.6-161.3171.5-169-3.3110.2
60H33.6Very low35.8Very low152 Ų152152.9 Ų152.970%0.70481%0.808SS**  trans-99.3160-161.3-111.8-92.3000110.9
61V31.8Very low35.6Very low114 Ų114152.7 Ų152.769%0.69182%0.815SS**  trans77.6126.1143.9178.10000114
62T32.7Very low35.2Very low130 Ų130146.1 Ų146.180%0.79881%0.813SS**  -166.3143.467.3-29.30000111.3
63A38.6Very low35.1Very low83 Ų83142.7 Ų142.769%0.68681%0.814SS**  trans-78.5153.816700000111.7
64Q31Very low35.2Very low190 Ų190144.3 Ų144.389%0.88881%0.808SS**  trans167.6126.3133.8-94.6168.628.300112.6
65Q38.4Very low35.4Very low180 Ų180147 Ų14784%0.84181%0.808SS**  trans-91.6-175.6137.6-67.5-173.9-2.900107.5
66P60.1Low35.2Very low111 Ų111145.5 Ų145.572%0.72181%0.808SS**  cis-136178.3-13.825-0.8000113.7
67S32.8Very low35.1Very low114 Ų114138.6 Ų138.680%0.79781%0.808SS**  trans169.4120.1143.139.90000110.4
68R33.2Very low34.9Very low241 Ų241137.8 Ų137.891%0.90981%0.809SS**  55.8121.290.2-80.2-166.9179.4-169.21.8116.1
69L34.6Very low35Very low171 Ų171141.5 Ų141.590%0.89582%0.817SS**  trans159.1111.9139-84.7156.2000107.4
70A31.6Very low34.9Very low99 Ų99139 Ų13982%0.81881%0.808SS**  73.3125.469.600000114.7
71G29.7Very low35.1Very low84 Ų84142.1 Ų142.187%0.86681%0.813SS**  trans114.9118.6170.400000112.3
72G28.2Very low35.5Very low75 Ų75145.8 Ų145.877%0.77381%0.814SS**  cis118.4131.518.600000109.8
73A32.5Very low36.3Very low99 Ų99145.9 Ų145.982%0.81882%0.817SS**  trans83.4140.5172.100000117.5
74T33.4Very low36.2Very low116 Ų116146.4 Ų146.471%0.71281%0.809SS**  cis-170.7132.8-1.3-93.10000110.7
75I39.3Very low36.4Very low149 Ų149144.7 Ų144.776%0.76481%0.805SS**  trans36.6125.8135.8-45.9175.3000122.4
76K36.5Very low36.2Very low214 Ų214143.4 Ų143.493%0.9380%0.797SS**  -174.4127.4125.6-96.7173.1-175.9-179.20106
77G31.2Very low35Very low83 Ų83149.7 Ų149.786%0.85681%0.806SS**  cis121.398.427.900000107.9
78G31.7Very low35.4Very low84 Ų84154.2 Ų154.287%0.86681%0.806SS**  trans-171.9105.8177.500000113.1
79R37.2Very low35.6Very low226 Ų226150.7 Ų150.785%0.85380%0.799SS**  trans-87165.8-175.1-70.5179.1173.8-175.1-1.1113.1
80R35.7Very low35.5Very low205 Ų205152.8 Ų152.877%0.77480%0.801SS**  trans97.2131.4153.1-57.4-174.2-173.4-161.21.5113.8
81R37.9Very low35.7Very low216 Ų216156.4 Ų156.482%0.81580%0.799SS**  cis-162.31447.4-104.8168-178.1-166.40.6107.8
82R39.1Very low35.8Very low191 Ų191158.1 Ų158.172%0.72180%0.797SS**  trans-79.7172.5160.7-71.1-167.6170.5170.8-4110.6D84R82-D84 WeakPolarHBondContact CD-OD2 3.16Å; R82-D84 IonicContact CZ-OD1 3.65Å; R82-D84 IonicContact CZ-OD2 3.3Å; R82-D84 IonicContact NE-OD1 3.42Å; R82-D84 IonicContact NE-OD2 2.68Å; R82-D84 VanDerWaalsContact NH1-CG 3.35Å; R82-D84 IonicContact NH1-OD1 2.57Å; R82-D84 PolarHBondContact NH1-OD1 3.21Å; R82-D84 IonicContact NH1-OD2 3.64Å; R82-D84 PolarHBondContact NH1-OD2 3.07Å
83P50.1Low36.2Very low133 Ų133159.3 Ų159.386%0.86479%0.794SS**  -130.8149.983.719.51.1000114.9
84D35.5Very low36.3Very low94 Ų94160 Ų16050%0.50379%0.792SS.*  trans-78.4169.2167.6-63.8-64000112.3R82R82-D84 WeakPolarHBondContact CD-OD2 3.16Å; R82-D84 IonicContact CZ-OD1 3.65Å; R82-D84 IonicContact CZ-OD2 3.3Å; R82-D84 IonicContact NE-OD1 3.42Å; R82-D84 IonicContact NE-OD2 2.68Å; R82-D84 VanDerWaalsContact NH1-CG 3.35Å; R82-D84 IonicContact NH1-OD1 2.57Å; R82-D84 PolarHBondContact NH1-OD1 3.21Å; R82-D84 IonicContact NH1-OD2 3.64Å; R82-D84 PolarHBondContact NH1-OD2 3.07Å
85L35.7Very low36.6Very low154 Ų154162.2 Ų162.281%0.80680%0.798SS**  trans155133133.2-79.9154000106.2
86F33.8Very low36.4Very low152 Ų152163.9 Ų163.967%0.66780%0.803SS**  cis-164.5125.923.4-140.5-78.5000106.2R88F86-R88 HydrophobicContact CD1-CG 3.9Å; F86-R88 HydrophobicContact CE1-CG 3.83Å
87R35.3Very low36.3Very low244 Ų244165.6 Ų165.692%0.92180%0.804SS**  trans-127.6105.3168-163.4172.4-150.8-142.12.7109.3
88R41.6Very low36.6Very low209 Ų209167.7 Ų167.779%0.78981%0.805SS**  trans-81.3135.9174.5-72.6-177.8-172.2-173.4-0.3110.3F86F86-R88 HydrophobicContact CD1-CG 3.9Å; F86-R88 HydrophobicContact CE1-CG 3.83Å
89H36.4Very low36.6Very low166 Ų166168.4 Ų168.477%0.76980%0.803SS**  trans-76.9148.3164.9-88.949.8000110.7
90F33Very low36.3Very low215 Ų215162.2 Ų162.294%0.94380%0.8SS**  trans-138.5135.5147.6-134.7-95000109.1
91K36.1Very low36Very low176 Ų176157.1 Ų157.177%0.76580%0.802SS**  trans-102.4158.2-178.8-82.2178.4172.11790110.3
92S31.9Very low35.7Very low120 Ų120151.9 Ų151.984%0.83981%0.805SS**  trans70.6146.6155.5-119.40000116.1
93S36.9Very low35.2Very low99 Ų99147.1 Ų147.169%0.69281%0.806SS**  cis-164.9144.71936.10000109.9
94S34.1Very low34.3Very low113 Ų113145.1 Ų145.179%0.7980%0.801SS**  trans-71.7136.9168.448.50000112.4
95I40.1Very low34.2Very low163 Ų163147 Ų14784%0.83682%0.815SS**  trans-119.7118.5166.9-64.6176.2000108.7
96Q35Very low34Very low184 Ų184150.7 Ų150.786%0.8682%0.819SS**  trans-91.8148.7172.2-77.2177-29.900110.6
97R34.3Very low33.9Very low251 Ų251150.1 Ų150.195%0.94783%0.828SS**  trans-73.1146.6173.7-68.1175.8175.3-142.6-2.3111.2
98S36.8Very low33.8Very low126 Ų126142.4 Ų142.488%0.88182%0.816SS**  trans-145.1153.7155.553.80000110.8
99A31.9Very low33.3Very low100 Ų100143.4 Ų143.483%0.82682%0.82SS**  trans-108.8156.7-169.500000111.8
100A30.7Very low33Very low96 Ų96144.7 Ų144.779%0.79383%0.826SS**  trans155.9119.4152.500000107.4
101A29.8Very low33Very low98 Ų98143.1 Ų143.181%0.8182%0.822SS**  95131.761.600000113.5
102A31.1Very low34.2Very low106 Ų106139.9 Ų139.988%0.87682%0.818SS**  trans72147.5165.300000117.9
103A29.3Very low34.9Very low91 Ų91139.8 Ų139.875%0.75282%0.815SS**  cis-172.4157.1-15.800000107.7
104A30.7Very low34.7Very low91 Ų91139.2 Ų139.275%0.75282%0.816SS**  trans81.8132.3144.900000122.9
105T32.8Very low34.5Very low132 Ų132141.4 Ų141.481%0.8182%0.819SS**  trans91.599.4140.820.50000122
106R33.3Very low34.1Very low233 Ų233138.7 Ų138.788%0.87982%0.815SS**  trans9.8135.9130.4-66.4175.3166.7171.3-5117.8
107T31.7Very low34Very low140 Ų140135.5 Ų135.586%0.85981%0.813SS**  175.6149.3104.6-65.50000112.9
108A31.8Very low33.8Very low81 Ų81127.7 Ų127.767%0.66980%0.802SS**  trans-34.2153.7-179.800000123.7
109R31.5Very low33.6Very low230 Ų230127.3 Ų127.387%0.86879%0.794SS**  trans41.7129134.7-72.7-178.9165.7-178.3-4.5119.9
110Q30.4Very low34.1Very low194 Ų194131.4 Ų131.491%0.90780%0.799SS**  175143.1108-90.9170.221.600112.8
111H32.1Very low34.5Very low182 Ų182136.2 Ų136.284%0.84381%0.805SS**  trans-106.4179.6163.1-104.7-70.5000107.6
112P62.2Low34.6Very low107 Ų107138.4 Ų138.470%0.69580%0.803SS**  -122.1-163.9-59.736.5-15.7000110.3
113P46.8Very low35.3Very low119 Ų119141.2 Ų141.277%0.77380%0.8SS**  -145.9142.684.428.4-5.5000114.2
114A32.2Very low35.4Very low87 Ų87143.6 Ų143.672%0.71980%0.8SS**  67.8114.191.100000116.2
115D29.6Very low36.1Very low158 Ų158146.9 Ų146.985%0.84580%0.8SS**  -164.3133.6127.8-106.9-18.6000113.7
116S31.7Very low36.7Very low106 Ų106150.4 Ų150.474%0.74180%0.8SS**  trans16.5139.815562.20000120.6
117S33.5Very low37.1Very low117 Ų117143.6 Ų143.682%0.81879%0.788SS**  cis-168.4150.340.4510000112.6
118A30.7Very low37.2Very low88 Ų88144.2 Ų144.273%0.72779%0.786SS**  trans-54162.5174.400000114.4
119T32.1Very low37.9Very low117 Ų117148.3 Ų148.372%0.71880%0.795SS**  cis-171.1144.848.144.80000110.7
120M41Very low38.5Very low186 Ų186145.3 Ų145.392%0.91679%0.79SS**  157.3109.8127.5-85.8-169.5-143.400109.9
121E39.2Very low38.9Very low198 Ų198144.1 Ų144.193%0.92579%0.785SS**  trans-77.7127162.8-63173.1156.700108.2
122D33.4Very low39.2Very low144 Ų144143.5 Ų143.577%0.7778%0.78SS**  trans-164122.3131.5-150.75.3000111.6
123M44.4Very low38.2Very low165 Ų165143.3 Ų143.381%0.81379%0.787SS**  trans20.2110152-61.2-87.4-163.500119.9
124N32.9Very low38.4Very low140 Ų140145 Ų14575%0.74979%0.785SS**  trans-153.376.3140.1-143.218.1000110.9
125E45.2Very low38.8Very low160 Ų160144.1 Ų144.175%0.74879%0.785SS**  trans-60.4136.9157.6-161.7171.9-172.900107.8
126Y44.7Very low39.6Very low207 Ų207142 Ų14281%0.81278%0.783SS**  trans82.181.2-173.3-58.3-87.2000117.3
127S42.8Very low40.1Very low90 Ų90146.2 Ų146.263%0.62979%0.787SS**  trans-179.1104137.2330000110.4
128N33.3Very low40.9Very low152 Ų152143.1 Ų143.181%0.81376%0.761SS**  trans-167.969.2148.9-92.5-20.7000108.4E130N128-E130 VanDerWaalsContact C-N 3.35Å; N128-E130 PolarHBondContact O-N 3.21Å
129I45.4Very low41.9Very low168 Ų168142.9 Ų142.986%0.86275%0.748SS**  trans-79.894155.9-63.9171.4000104.6E131I129-E131 PolarHBondContact O-N 3.12Å
130E44.3Very low42.6Very low166 Ų166138.8 Ų138.878%0.77673%0.726SS**  trans-67.3102.7172.2-71.8-173.7166.800109.7N128N128-E130 VanDerWaalsContact C-N 3.35Å; N128-E130 PolarHBondContact O-N 3.21Å
131E39.8Very low43.1Very low169 Ų169134.9 Ų134.979%0.7972%0.717SS**  57.981.7122.5-148.9163.7-173.400117.6I129 A133I129-E131 PolarHBondContact O-N 3.12Å; E131-A133 PolarHBondContact O-N 2.72Å
132F37.5Very low43.5Very low169 Ų169130.2 Ų130.274%0.74169%0.694SS**  trans14.988.3131.5-69.9-90.9000117.8E134F132-E134 HydrophobicContact CB-CB 4.46Å; F132-E134 PolarHBondContact O-N 3.27Å; F132-E134 VanDerWaalsContact O-N 3.12Å
133A41.7Very low44.4Very low103 Ų103127.3 Ų127.385%0.85168%0.678SS**  trans-7971145.400000109.2E131 G135E131-A133 PolarHBondContact O-N 2.72Å; A133-G135 PolarHBondContact O-N 3.04Å
134E51.3Low45Very low154 Ų154125.1 Ų125.172%0.7267%0.666SS**THydrogen-bonded Turntrans-69.9106.8176.9-170158.2-163.900109.7F132F132-E134 HydrophobicContact CB-CB 4.46Å; F132-E134 PolarHBondContact O-N 3.27Å; F132-E134 VanDerWaalsContact O-N 3.12Å
135G40.4Very low46.1Very low70 Ų70125.8 Ų125.872%0.72266%0.664SS**THydrogen-bonded Turntrans141.315.6165.400000119.2A133A133-G135 PolarHBondContact O-N 3.04Å
136S45.7Very low47.3Very low114 Ų114121.1 Ų121.180%0.79764%0.644SS**SBendtrans-140.811.7-177.7-77.50000118.8
137K43.4Very low48.9Very low193 Ų193116.8 Ų116.884%0.83964%0.635SS**SBendtrans-133.732.5-179.3-65.1-170.5-174.8175.20117.1
138I48.7Very low50.8Low53 Ų53113.1 Ų113.127%0.27261%0.611SS.*  trans-135123.8147.570.9-65.4000112.7A140 V175 D176 L195I138-A140 HydrophobicContact CB-CB 4.41Å; I138-A140 HydrophobicContact CG1-CB 3.72Å; I138-A140 PolarHBondContact O-N 2.86Å; I138-V175 HydrophobicContact CG2-CG1 3.67Å; I138-D176 HydrophobicContact CB-CB 3.96Å; I138-D176 HydrophobicContact CD1-CB 3.37Å; I138-D176 WeakPolarHBondContact CD1-OD1 3.5Å; I138-D176 WeakPolarHBondContact CD1-OD2 3.47Å; I138-D176 HydrophobicContact CG1-CB 3.36Å; I138-D176 WeakPolarHBondContact CG1-OD2 3.47Å; I138-D176 HydrophobicContact CG2-CB 3.43Å; I138-D176 VanDerWaalsContact CG2-CB 3.43Å; I138-L195 HydrophobicContact CB-CD2 4.1Å; I138-L195 HydrophobicContact CG2-CD2 3.39Å
139N52.9Low53.5Low83 Ų83107.2 Ų107.244%0.44458%0.578SS.*  trans-73.952.1158.6-79.2-58.3000109.8S141 K142N139-S141 PolarHBondContact O-N 2.93Å; N139-K142 HydrophobicContact CB-CB 3.83Å; N139-K142 HydrophobicContact CB-CD 3.72Å; N139-K142 HydrophobicContact CB-CG 3.7Å; N139-K142 VanDerWaalsContact CG-CE 3.45Å; N139-K142 PolarHBondContact ND2-NZ 2.78Å; N139-K142 PolarHBondContact O-N 2.77Å; N139-K142 WeakPolarHBondContact OD1-CD 3.31Å; N139-K142 WeakPolarHBondContact OD1-CE 3.24Å
140A47Very low55.6Low31 Ų3199.2 Ų99.226%0.25654%0.537SS..THydrogen-bonded Turntrans-61.9-13.8173.200000112.3I138 K149I138-A140 HydrophobicContact CB-CB 4.41Å; I138-A140 HydrophobicContact CG1-CB 3.72Å; I138-A140 PolarHBondContact O-N 2.86Å; A140-K149 PolarHBondContact O-NZ 2.98Å
141S49.9Very low57.9Low104 Ų10494 Ų9473%0.72751%0.512SS*.THydrogen-bonded Turntrans-97-7.5172.739.20000114.9N139N139-S141 PolarHBondContact O-N 2.93Å
142K47.9Very low60.4Low100 Ų10086 Ų8644%0.43548%0.475SS..SBendtrans-77.1128.9166-73.5-177.4-177.1164.20108N139 Q144N139-K142 HydrophobicContact CB-CB 3.83Å; N139-K142 HydrophobicContact CB-CD 3.72Å; N139-K142 HydrophobicContact CB-CG 3.7Å; N139-K142 VanDerWaalsContact CG-CE 3.45Å; N139-K142 PolarHBondContact ND2-NZ 2.78Å; N139-K142 PolarHBondContact O-N 2.77Å; N139-K142 WeakPolarHBondContact OD1-CD 3.31Å; N139-K142 WeakPolarHBondContact OD1-CE 3.24Å; K142-Q144 HydrophobicContact CB-CG 4.45Å; K142-Q144 PolarHBondContact O-N 3.26Å
143N53.5Low63Low82 Ų8278.2 Ų78.244%0.43944%0.443SS..  trans-71.431.5176.2-66.4-31.6000112.6L226 G228N143-L226 PolarHBondContact OD1-O 3.4Å; N143-G228 VanDerWaalsContact ND2-CA 3.3Å; N143-G228 WeakPolarHBondContact ND2-CA 3.41Å; N143-G228 PolarHBondContact ND2-N 3.49Å; N143-G228 PolarHBondContact ND2-O 3.22Å
144Q55.9Low65.4Low119 Ų11975.2 Ų75.256%0.55642%0.422SS*.  trans-82.4139175.4-72.1176.8-3.500108.6K142 D146K142-Q144 HydrophobicContact CB-CG 4.45Å; K142-Q144 PolarHBondContact O-N 3.26Å; Q144-D146 VanDerWaalsContact C-N 3.32Å; Q144-D146 PolarHBondContact O-N 3.15Å
145Q57.5Low67.4Low154 Ų15468.1 Ų68.172%0.7239%0.389SS*.  trans-68.696.8168.1-87.6174.4-28.800107.2A225Q145-A225 HydrophobicContact CG-CB 3.79Å
146D70.6Confident69.8Low62 Ų6265.3 Ų65.333%0.33236%0.358SS..  trans-92.7115.8167-72.3-39000107.6Q144 G148 K149 L195Q144-D146 VanDerWaalsContact C-N 3.32Å; Q144-D146 PolarHBondContact O-N 3.15Å; D146-G148 PolarHBondContact O-N 3.31Å; D146-G148 VanDerWaalsContact O-N 3.15Å; D146-K149 HydrophobicContact CB-CB 4.05Å; D146-K149 VanDerWaalsContact O-CB 3.3Å; D146-K149 WeakPolarHBondContact O-CB 3.45Å; D146-K149 PolarHBondContact O-N 3.46Å; D146-L195 HydrophobicContact CB-CD1 4.17Å
147D77.4Confident72Confident117 Ų11766.2 Ų66.263%0.62634%0.344SS*.THydrogen-bonded Turntrans-63.2-18.4178.9-70.7-31.9000112.9K149 A199D147-K149 VanDerWaalsContact C-N 3.34Å; D147-A199 HydrophobicContact CB-CB 4.11Å
148G83.6Confident74.1Confident12 Ų1263.8 Ų63.812%0.12434%0.341CS..THydrogen-bonded Turntrans-80.7-6.7170.800000114.5D146 F196D146-G148 PolarHBondContact O-N 3.31Å; D146-G148 VanDerWaalsContact O-N 3.15Å; G148-F196 PolarHBondContact O-N 3.39Å
149K88.7Confident76Confident28 Ų2861.6 Ų61.612%0.12233%0.33CS..EExtended strand (participates in β ladder)trans-89.9131.1-178.2-164.7-179.3-170.9169.80111.2A140 D146 D147 V194 L195 A223A140-K149 PolarHBondContact O-NZ 2.98Å; D146-K149 HydrophobicContact CB-CB 4.05Å; D146-K149 VanDerWaalsContact O-CB 3.3Å; D146-K149 WeakPolarHBondContact O-CB 3.45Å; D146-K149 PolarHBondContact O-N 3.46Å; D147-K149 VanDerWaalsContact C-N 3.34Å; K149-V194 CarbonylContact C-O 3.56Å; K149-V194 WeakPolarHBondContact CA-O 3.36Å; K149-L195 HydrophobicContact CB-CD1 3.97Å; K149-A223 VanDerWaalsContact C-CB 3.5Å; K149-A223 HydrophobicContact CB-CB 3.9Å; K149-A223 HydrophobicContact CD-CB 4.04Å; K149-A223 HydrophobicContact CG-CB 3.65Å; K149-A223 WeakPolarHBondContact O-CB 3.23Å; K149-A223 PolarHBondContact O-N 3.4Å
150M90.4Very high77.8Confident0 Ų059.8 Ų59.80%032%0.324CS..EExtended strand (participates in β ladder)trans-121.4141.4179.2-163.9-178-76.800111I152 F193 V194 F196 V202 V205 P220 K221M150-I152 HydrophobicContact CB-CD1 4.4Å; M150-I152 HydrophobicContact CG-CD1 3.81Å; M150-I152 HydrophobicContact SD-CD1 3.46Å; M150-I152 WeakPolarHBondContact SD-CD1 3.16Å; M150-F193 CarbonylContact O-C 3.39Å; M150-F193 VanDerWaalsContact O-CA 3.27Å; M150-F193 WeakPolarHBondContact O-CA 3.26Å; M150-V194 PolarHBondContact N-O 3.05Å; M150-V194 PolarHBondContact O-N 3.44Å; M150-F196 HydrophobicContact CB-CE2 4.44Å; M150-F196 HydrophobicContact CE-CD2 4.48Å; M150-F196 HydrophobicContact CE-CE2 3.9Å; M150-F196 HydrophobicContact SD-CE2 4.2Å; M150-V202 HydrophobicContact CE-CB 3.76Å; M150-V202 HydrophobicContact CE-CG1 3.52Å; M150-V202 HydrophobicContact CE-CG2 3.97Å; M150-V202 WeakPolarHBondContact CE-O 3.16Å; M150-V205 HydrophobicContact CE-CB 3.53Å; M150-V205 HydrophobicContact CE-CG1 3.8Å; M150-V205 HydrophobicContact CE-CG2 3.89Å; M150-V205 HydrophobicContact SD-CB 4.12Å; M150-V205 HydrophobicContact SD-CG1 3.7Å; M150-V205 HydrophobicContact SD-CG2 4.42Å; M150-P220 HydrophobicContact CG-CB 4.42Å; M150-P220 HydrophobicContact SD-CB 3.53Å; M150-P220 VanDerWaalsContact SD-CB 3.53Å; M150-K221 WeakPolarHBondContact CG-O 3.47Å
151F92.3Very high79.8Confident57 Ų5762.4 Ų62.425%0.2533%0.329CS..EExtended strand (participates in β ladder)trans-93.5131.4167.4168.7-92000108.6F191 F193 P220 K221 A223F151-F191 HydrophobicContact CD2-CD2 4.38Å; F151-F191 HydrophobicContact CE2-CB 3.85Å; F151-F191 AromaticContact CE2-CD2 3.59Å; F151-F191 HydrophobicContact CE2-CD2 3.59Å; F151-F191 HydrophobicContact CE2-CE2 4.38Å; F151-F191 AromaticContact CE2-CG 3.95Å; F151-F191 HydrophobicContact CE2-CG 3.95Å; F151-F191 HydrophobicContact CZ-CB 3.89Å; F151-F191 HydrophobicContact CZ-CD2 4.39Å; F151-F191 HydrophobicContact CZ-CG 4.31Å; F151-F193 HydrophobicContact CB-CD1 4.32Å; F151-F193 HydrophobicContact CB-CE1 4.15Å; F151-F193 HydrophobicContact CD2-CD1 4.43Å; F151-F193 AromaticContact CD2-CE1 3.83Å; F151-F193 HydrophobicContact CD2-CE1 3.83Å; F151-F193 AromaticContact CD2-CZ 3.96Å; F151-F193 HydrophobicContact CD2-CZ 3.96Å; F151-F193 HydrophobicContact CG-CE1 4.5Å; F151-P220 CarbonylContact O-C 3.49Å; F151-P220 WeakPolarHBondContact O-CA 3.46Å; F151-K221 HydrophobicContact CD1-CB 4.2Å; F151-K221 PolarHBondContact N-O 3.09Å; F151-K221 PolarHBondContact O-N 3.29Å; F151-K221 VanDerWaalsContact O-O 3.13Å; F151-A223 HydrophobicContact CB-CB 4.46Å
152I92.1Very high81.8Confident0 Ų065.5 Ų65.50%033%0.329CS..EExtended strand (participates in β ladder)trans-116.2108.6175.7-45.8-65.2000108.3M150 L155 L164 L168 F191 G192 V194 I218 P220M150-I152 HydrophobicContact CB-CD1 4.4Å; M150-I152 HydrophobicContact CG-CD1 3.81Å; M150-I152 HydrophobicContact SD-CD1 3.46Å; M150-I152 WeakPolarHBondContact SD-CD1 3.16Å; I152-L155 HydrophobicContact CB-CD2 4.45Å; I152-L155 HydrophobicContact CG2-CD2 3.59Å; I152-L155 HydrophobicContact CG2-CG 4.12Å; I152-L164 HydrophobicContact CG1-CD1 4.37Å; I152-L164 HydrophobicContact CG2-CD1 4.14Å; I152-L168 HydrophobicContact CD1-CD1 3.96Å; I152-L168 HydrophobicContact CD1-CD2 4.48Å; I152-L168 HydrophobicContact CG1-CD1 4.12Å; I152-F191 CarbonylContact O-C 3.5Å; I152-F191 WeakPolarHBondContact O-CA 3.49Å; I152-F191 WeakPolarHBondContact O-CB 3.17Å; I152-G192 PolarHBondContact N-O 2.57Å; I152-G192 PolarHBondContact O-N 3.47Å; I152-V194 HydrophobicContact CG1-CG2 3.78Å; I152-I218 HydrophobicContact CG2-CB 4.1Å; I152-I218 HydrophobicContact CG2-CD1 4Å; I152-I218 HydrophobicContact CG2-CG1 4.4Å; I152-P220 HydrophobicContact CD1-CB 3.79Å
153G92.4Very high83.9Confident7 Ų763.4 Ų63.47%0.07232%0.323CS..EExtended strand (participates in β ladder)trans-92.3163.8173.900000112.4L155 I218 D219G153-L155 VanDerWaalsContact C-N 3.32Å; G153-L155 PolarHBondContact O-N 2.82Å; G153-I218 CarbonylContact O-C 3.56Å; G153-I218 VanDerWaalsContact O-CA 3.29Å; G153-I218 WeakPolarHBondContact O-CA 3.3Å; G153-D219 PolarHBondContact N-O 2.98Å; G153-D219 PolarHBondContact O-N 3.22Å
154G91.5Very high85.7Confident40 Ų4059.5 Ų59.541%0.41230%0.302SS..SBendtrans76.415.117200000115.2G190G154-G190 PolarHBondContact N-O 3.44Å; G154-G190 VanDerWaalsContact N-O 3.11Å
155L92.8Very high87.3Confident5 Ų555.7 Ų55.73%0.02629%0.287CS..  trans-62.2146175.9-60.3178.5000110.7I152 G153 T159 L164 I179 G190 L213 I218I152-L155 HydrophobicContact CB-CD2 4.45Å; I152-L155 HydrophobicContact CG2-CD2 3.59Å; I152-L155 HydrophobicContact CG2-CG 4.12Å; G153-L155 VanDerWaalsContact C-N 3.32Å; G153-L155 PolarHBondContact O-N 2.82Å; L155-T159 HydrophobicContact CD2-CG2 4.41Å; L155-L164 HydrophobicContact CD1-CD2 3.98Å; L155-L164 HydrophobicContact CD2-CD1 3.83Å; L155-I179 HydrophobicContact CD1-CG1 4.38Å; L155-G190 PolarHBondContact N-O 3.32Å; L155-G190 VanDerWaalsContact O-CA 3.31Å; L155-G190 WeakPolarHBondContact O-CA 3.49Å; L155-L213 HydrophobicContact CD2-CD2 4.09Å; L155-I218 HydrophobicContact CD2-CB 4.48Å; L155-I218 HydrophobicContact CD2-CG2 3.84Å
156S92.1Very high89Confident11 Ų1155.5 Ų55.58%0.07729%0.286CS..  trans-63.3151.2167.8-159.60000111.1D158 T159 K216S156-D158 PolarHBondContact O-N 3.28Å; S156-T159 VanDerWaalsContact CA-OG1 3.23Å; S156-T159 WeakPolarHBondContact CA-OG1 3.33Å; S156-T159 WeakPolarHBondContact CB-OG1 3.25Å; S156-T159 PolarHBondContact N-OG1 2.94Å; S156-T159 WeakPolarHBondContact O-CB 2.97Å; S156-T159 PolarHBondContact O-N 3.2Å; S156-T159 VanDerWaalsContact O-N 3.11Å; S156-T159 PolarHBondContact O-OG1 3.38Å; S156-K216 PolarHBondContact OG-NZ 2.6Å
157W90.4Very high90Very high133 Ų13353.7 Ų53.750%0.50428%0.275SS..THydrogen-bonded Turntrans-63.8-25.6177.9-64-35000112.7S188W157-S188 WeakPolarHBondContact O-CB 3.3Å
158D88.2Confident90.6Very high142 Ų14248.1 Ų48.176%0.75925%0.245SC*.THydrogen-bonded Turntrans-94.9-2.5-179.8-48.5-53.4000112.5S156 S160S156-D158 PolarHBondContact O-N 3.28Å; D158-S160 PolarHBondContact O-N 3.03Å
159T88.6Confident91Very high7 Ų750.8 Ų50.84%0.04326%0.262CS..  trans-63125.7178.1-42.10000109.3L155 S156 D163 I179 L213 D214L155-T159 HydrophobicContact CD2-CG2 4.41Å; S156-T159 VanDerWaalsContact CA-OG1 3.23Å; S156-T159 WeakPolarHBondContact CA-OG1 3.33Å; S156-T159 WeakPolarHBondContact CB-OG1 3.25Å; S156-T159 PolarHBondContact N-OG1 2.94Å; S156-T159 WeakPolarHBondContact O-CB 2.97Å; S156-T159 PolarHBondContact O-N 3.2Å; S156-T159 VanDerWaalsContact O-N 3.11Å; S156-T159 PolarHBondContact O-OG1 3.38Å; T159-D163 HydrophobicContact CG2-CB 4.39Å; T159-I179 VanDerWaalsContact O-CD1 3.27Å; T159-I179 WeakPolarHBondContact O-CD1 3.3Å; T159-L213 HydrophobicContact CG2-CD2 3.48Å; T159-L213 VanDerWaalsContact CG2-CD2 3.48Å; T159-L213 HydrophobicContact CG2-CG 4.31Å; T159-D214 PolarHBondContact OG1-OD2 3.21Å
160S90.4Very high91.1Very high45 Ų4557.1 Ų57.132%0.31529%0.285SS..  trans-93.4165.8177.1820000112.4D158 K162 D163 L164 I179D158-S160 PolarHBondContact O-N 3.03Å; S160-K162 PolarHBondContact O-N 3.32Å; S160-K162 PolarHBondContact OG-N 2.95Å; S160-D163 VanDerWaalsContact CB-OD2 3.25Å; S160-D163 WeakPolarHBondContact CB-OD2 3.12Å; S160-D163 PolarHBondContact N-OD2 2.76Å; S160-D163 PolarHBondContact O-N 2.89Å; S160-D163 PolarHBondContact OG-N 3.08Å; S160-D163 PolarHBondContact OG-OD2 3.49Å; S160-L164 PolarHBondContact O-N 2.67Å; S160-I179 VanDerWaalsContact C-CD1 3.42Å
161K90.1Very high91Very high86 Ų8658.4 Ų58.437%0.37429%0.291SS..Hα-helixtrans-54.4-38.4172.5-174.9-178.5171.5163.60110.9T165 D176 C177K161-T165 PolarHBondContact O-N 3.04Å; K161-T165 VanDerWaalsContact O-N 3.08Å; K161-T165 PolarHBondContact O-OG1 3.32Å; K161-D176 IonicContact NZ-OD1 3.64Å; K161-D176 PolarHBondContact NZ-OD1 2.98Å; K161-C177 WeakPolarHBondContact CD-O 3.25Å; K161-C177 WeakPolarHBondContact CE-O 3.27Å; K161-C177 WeakPolarHBondContact CE-SG 3.3Å; K161-C177 HydrophobicContact CG-CB 4.42Å; K161-C177 WeakPolarHBondContact CG-SG 3.09Å; K161-C177 PolarHBondContact NZ-O 3.29Å
162K91.1Very high90.9Very high168 Ų16856.4 Ų56.473%0.7329%0.286SS*.Hα-helixtrans-66.8-51.1-176.8-64.9-175.3177.3-175.30111S160 L164 T165 E166S160-K162 PolarHBondContact O-N 3.32Å; S160-K162 PolarHBondContact OG-N 2.95Å; K162-L164 VanDerWaalsContact C-N 3.29Å; K162-L164 PolarHBondContact O-N 3.06Å; K162-T165 WeakPolarHBondContact O-CB 3.37Å; K162-T165 PolarHBondContact O-N 2.79Å; K162-E166 WeakPolarHBondContact O-CB 3.4Å; K162-E166 PolarHBondContact O-N 3.44Å
163D91.8Very high90.9Very high56 Ų5661.6 Ų61.630%0.29931%0.31SS..Hα-helixtrans-60.6-41.6-178.2-45-42.4000111.3T159 S160 T165 Y167T159-D163 HydrophobicContact CG2-CB 4.39Å; S160-D163 VanDerWaalsContact CB-OD2 3.25Å; S160-D163 WeakPolarHBondContact CB-OD2 3.12Å; S160-D163 PolarHBondContact N-OD2 2.76Å; S160-D163 PolarHBondContact O-N 2.89Å; S160-D163 PolarHBondContact OG-N 3.08Å; S160-D163 PolarHBondContact OG-OD2 3.49Å; D163-T165 VanDerWaalsContact C-N 3.35Å; D163-T165 PolarHBondContact O-N 2.87Å; D163-Y167 VanDerWaalsContact O-CB 3.32Å; D163-Y167 WeakPolarHBondContact O-CB 3.4Å; D163-Y167 PolarHBondContact O-N 2.87Å
164L91.1Very high90.8Very high0 Ų062.4 Ų62.40%031%0.314CS..Hα-helixtrans-64-40.7176.4-176.160.1000112.1I152 L155 S160 K162 L168 I179 V194 L213I152-L164 HydrophobicContact CG1-CD1 4.37Å; I152-L164 HydrophobicContact CG2-CD1 4.14Å; L155-L164 HydrophobicContact CD1-CD2 3.98Å; L155-L164 HydrophobicContact CD2-CD1 3.83Å; S160-L164 PolarHBondContact O-N 2.67Å; K162-L164 VanDerWaalsContact C-N 3.29Å; K162-L164 PolarHBondContact O-N 3.06Å; L164-L168 HydrophobicContact CD1-CD1 3.68Å; L164-L168 HydrophobicContact CD1-CG 4.27Å; L164-L168 HydrophobicContact CG-CD1 3.98Å; L164-L168 WeakPolarHBondContact O-CB 3.19Å; L164-L168 WeakPolarHBondContact O-CG 3.39Å; L164-L168 PolarHBondContact O-N 3.05Å; L164-I179 HydrophobicContact CD2-CG1 4.24Å; L164-V194 HydrophobicContact CD2-CG2 3.75Å; L164-V194 HydrophobicContact CG-CG2 4.11Å; L164-L213 HydrophobicContact CD1-CD2 4.04Å
165T91.1Very high90.7Very high40 Ų4063.8 Ų63.825%0.24531%0.314CS..Hα-helixtrans-66.2-50.3177.9-51.30000110.8K161 K162 D163 Y167 L168 S169 V174 C177K161-T165 PolarHBondContact O-N 3.04Å; K161-T165 VanDerWaalsContact O-N 3.08Å; K161-T165 PolarHBondContact O-OG1 3.32Å; K162-T165 WeakPolarHBondContact O-CB 3.37Å; K162-T165 PolarHBondContact O-N 2.79Å; D163-T165 VanDerWaalsContact C-N 3.35Å; D163-T165 PolarHBondContact O-N 2.87Å; T165-Y167 VanDerWaalsContact C-N 3.3Å; T165-Y167 PolarHBondContact O-N 3.15Å; T165-L168 PolarHBondContact O-N 3.05Å; T165-S169 VanDerWaalsContact O-CB 3.24Å; T165-S169 WeakPolarHBondContact O-CB 3.3Å; T165-S169 PolarHBondContact O-N 3.18Å; T165-V174 HydrophobicContact CG2-CB 3.99Å; T165-V174 HydrophobicContact CG2-CG1 4.11Å; T165-V174 HydrophobicContact CG2-CG2 4.46Å; T165-C177 PolarHBondContact OG1-SG 2.87Å
166E92.2Very high90.5Very high149 Ų14964.4 Ų64.470%0.69632%0.318SS*.Hα-helixtrans-59.6-43.6-179.2-175.5178.5171.300110.9K162K162-E166 WeakPolarHBondContact O-CB 3.4Å; K162-E166 PolarHBondContact O-N 3.44Å
167Y91.3Very high90.4Very high25 Ų2564 Ų6410%0.09831%0.314CS..Hα-helixtrans-61.8-48.9175.9-176.7-95.9000111.9D163 T165 S169 R170 F171 H211 K212 L213 I218D163-Y167 VanDerWaalsContact O-CB 3.32Å; D163-Y167 WeakPolarHBondContact O-CB 3.4Å; D163-Y167 PolarHBondContact O-N 2.87Å; T165-Y167 VanDerWaalsContact C-N 3.3Å; T165-Y167 PolarHBondContact O-N 3.15Å; Y167-S169 VanDerWaalsContact C-N 3.33Å; Y167-S169 PolarHBondContact O-N 3.36Å; Y167-R170 VanDerWaalsContact CD2-CZ 3.42Å; Y167-R170 WeakPolarHBondContact O-CD 3.36Å; Y167-R170 WeakPolarHBondContact O-CG 3.32Å; Y167-R170 PolarHBondContact O-NE 3.47Å; Y167-F171 HydrophobicContact CE1-CE2 4.02Å; Y167-H211 HydrophobicContact CE1-CB 4.22Å; Y167-H211 AromaticContact CE1-ND1 3.73Å; Y167-H211 AromaticContact CZ-ND1 3.93Å; Y167-H211 PolarHBondContact OH-ND1 2.86Å; Y167-K212 VanDerWaalsContact CE2-O 3.3Å; Y167-K212 WeakPolarHBondContact CE2-O 3.36Å; Y167-K212 PolarHBondContact OH-N 3.01Å; Y167-L213 HydrophobicContact CD2-CD1 3.85Å; Y167-L213 HydrophobicContact CG-CD1 3.76Å; Y167-I218 HydrophobicContact CD1-CD1 4.12Å; Y167-I218 HydrophobicContact CE1-CD1 3.83Å
168L90.6Very high90.4Very high0 Ų059.8 Ų59.80%030%0.303CS..Hα-helixtrans-77-20.2-175.8-70.8172.5000113.7I152 L164 T165 R170 F171 G172 V174 V194 F196 V205I152-L168 HydrophobicContact CD1-CD1 3.96Å; I152-L168 HydrophobicContact CD1-CD2 4.48Å; I152-L168 HydrophobicContact CG1-CD1 4.12Å; L164-L168 HydrophobicContact CD1-CD1 3.68Å; L164-L168 HydrophobicContact CD1-CG 4.27Å; L164-L168 HydrophobicContact CG-CD1 3.98Å; L164-L168 WeakPolarHBondContact O-CB 3.19Å; L164-L168 WeakPolarHBondContact O-CG 3.39Å; L164-L168 PolarHBondContact O-N 3.05Å; T165-L168 PolarHBondContact O-N 3.05Å; L168-R170 PolarHBondContact O-N 3.21Å; L168-R170 VanDerWaalsContact O-N 3.09Å; L168-F171 HydrophobicContact CD2-CD2 4.19Å; L168-F171 PolarHBondContact O-N 3.4Å; L168-G172 PolarHBondContact O-N 2.86Å; L168-V174 HydrophobicContact CB-CG2 4.02Å; L168-V194 HydrophobicContact CD1-CB 4.04Å; L168-V194 HydrophobicContact CD1-CG1 3.89Å; L168-V194 HydrophobicContact CD1-CG2 3.58Å; L168-F196 HydrophobicContact CB-CE1 4.31Å; L168-F196 HydrophobicContact CB-CZ 3.91Å; L168-F196 HydrophobicContact CD2-CZ 4.3Å; L168-F196 HydrophobicContact CG-CZ 4.47Å; L168-V205 HydrophobicContact CD2-CG1 4.35Å; L168-V205 HydrophobicContact CD2-CG2 4.23Å
169S91.2Very high90.6Very high68 Ų6854.5 Ų54.548%0.47628%0.275SS..THydrogen-bonded Turntrans-60.8-19.5177.4-167.30000113.1T165 Y167 F171 G172T165-S169 VanDerWaalsContact O-CB 3.24Å; T165-S169 WeakPolarHBondContact O-CB 3.3Å; T165-S169 PolarHBondContact O-N 3.18Å; Y167-S169 VanDerWaalsContact C-N 3.33Å; Y167-S169 PolarHBondContact O-N 3.36Å; S169-F171 PolarHBondContact O-N 3.42Å; S169-G172 VanDerWaalsContact CA-O 3.31Å; S169-G172 WeakPolarHBondContact CA-O 3.28Å
170R90.8Very high90.6Very high160 Ų16058.3 Ų58.360%0.60429%0.291SS*.THydrogen-bonded Turntrans-68.5-21.7174.378.8-171.964.9-167-9113.5Y167 L168Y167-R170 VanDerWaalsContact CD2-CZ 3.42Å; Y167-R170 WeakPolarHBondContact O-CD 3.36Å; Y167-R170 WeakPolarHBondContact O-CG 3.32Å; Y167-R170 PolarHBondContact O-NE 3.47Å; L168-R170 PolarHBondContact O-N 3.21Å; L168-R170 VanDerWaalsContact O-N 3.09Å
171F89.4Confident90.7Very high28 Ų2859.7 Ų59.712%0.12330%0.297CS..THydrogen-bonded Turntrans-99.6-24.2-178.9-55.6-66.9000112.3Y167 L168 S169 V205 L208 H211Y167-F171 HydrophobicContact CE1-CE2 4.02Å; L168-F171 HydrophobicContact CD2-CD2 4.19Å; L168-F171 PolarHBondContact O-N 3.4Å; S169-F171 PolarHBondContact O-N 3.42Å; F171-V205 HydrophobicContact CB-CG2 3.53Å; F171-V205 HydrophobicContact CD1-CG2 4.44Å; F171-V205 HydrophobicContact CD2-CG2 3.65Å; F171-V205 HydrophobicContact CE2-CG2 4.49Å; F171-V205 HydrophobicContact CG-CG2 3.61Å; F171-L208 HydrophobicContact CD1-CD1 4.35Å; F171-L208 HydrophobicContact CE1-CD1 3.22Å; F171-L208 HydrophobicContact CE1-CG 4.37Å; F171-L208 HydrophobicContact CZ-CD1 3.39Å; F171-H211 AromaticContact CE2-CE1 3.85Å; F171-H211 AromaticContact CE2-ND1 3.98Å; F171-H211 AromaticContact CZ-CE1 3.72Å; F171-H211 AromaticContact CZ-ND1 3.96Å
172G89.9Confident90.6Very high15 Ų1558.1 Ų58.116%0.15529%0.293CS..SBendtrans172.7172.4174.600000113.7L168 S169 V174 S201L168-G172 PolarHBondContact O-N 2.86Å; S169-G172 VanDerWaalsContact CA-O 3.31Å; S169-G172 WeakPolarHBondContact CA-O 3.28Å; G172-V174 PolarHBondContact O-N 3.12Å; G172-S201 WeakPolarHBondContact CA-OG 3.32Å
173E91.3Very high90.4Very high108 Ų10856.1 Ų56.151%0.50530%0.297SS..  trans-67.9116.7179.2-168-178.1149.800110.4F196 K197E173-F196 WeakPolarHBondContact O-CA 3.36Å; E173-K197 HydrophobicContact CB-CB 4.2Å; E173-K197 HydrophobicContact CB-CD 4.29Å; E173-K197 VanDerWaalsContact CD-NZ 3.26Å; E173-K197 HydrophobicContact CG-CD 4.24Å; E173-K197 PolarHBondContact O-N 3.35Å; E173-K197 WeakPolarHBondContact OE1-CD 3.23Å; E173-K197 IonicContact OE1-NZ 3.04Å; E173-K197 PolarHBondContact OE1-NZ 2.65Å; E173-K197 WeakPolarHBondContact OE2-CD 3.47Å; E173-K197 IonicContact OE2-NZ 2.72Å; E173-K197 PolarHBondContact OE2-NZ 3Å
174V91.3Very high90.1Very high25 Ų2559.6 Ų59.615%0.15232%0.32CS..EExtended strand (participates in β ladder)trans-86.5117.7176.6176.60000108.8T165 L168 G172 D176 C177 V194 F196T165-V174 HydrophobicContact CG2-CB 3.99Å; T165-V174 HydrophobicContact CG2-CG1 4.11Å; T165-V174 HydrophobicContact CG2-CG2 4.46Å; L168-V174 HydrophobicContact CB-CG2 4.02Å; G172-V174 PolarHBondContact O-N 3.12Å; V174-D176 WeakPolarHBondContact CG1-O 3.36Å; V174-C177 HydrophobicContact CG1-CB 4.38Å; V174-V194 HydrophobicContact CB-CG1 4.42Å; V174-V194 HydrophobicContact CG1-CG1 3.58Å; V174-V194 HydrophobicContact CG2-CG1 4Å; V174-F196 HydrophobicContact CG2-CD1 4.01Å; V174-F196 HydrophobicContact CG2-CE1 3.66Å; V174-F196 HydrophobicContact CG2-CZ 4.32Å
175V89.9Confident90Very high69 Ų6964 Ų6442%0.41835%0.347SS..EExtended strand (participates in β ladder)trans-79.6-39.4177.1179.80000110.8I138 L195 K197I138-V175 HydrophobicContact CG2-CG1 3.67Å; V175-L195 HydrophobicContact CB-CD2 4.26Å; V175-L195 HydrophobicContact CB-CG 4.42Å; V175-L195 HydrophobicContact CG1-CD2 4.24Å; V175-L195 PolarHBondContact N-O 3.22Å; V175-K197 HydrophobicContact CG2-CB 3.67Å; V175-K197 HydrophobicContact CG2-CG 4.35Å
176D87.9Confident89.7Confident18 Ų1864.6 Ų64.610%0.09636%0.361CS..EExtended strand (participates in β ladder)trans-155.5160.3172-175.250.3000112.6I138 K161 V174 T178 V194 L195I138-D176 HydrophobicContact CB-CB 3.96Å; I138-D176 HydrophobicContact CD1-CB 3.37Å; I138-D176 WeakPolarHBondContact CD1-OD1 3.5Å; I138-D176 WeakPolarHBondContact CD1-OD2 3.47Å; I138-D176 HydrophobicContact CG1-CB 3.36Å; I138-D176 WeakPolarHBondContact CG1-OD2 3.47Å; I138-D176 HydrophobicContact CG2-CB 3.43Å; I138-D176 VanDerWaalsContact CG2-CB 3.43Å; K161-D176 IonicContact NZ-OD1 3.64Å; K161-D176 PolarHBondContact NZ-OD1 2.98Å; V174-D176 WeakPolarHBondContact CG1-O 3.36Å; D176-T178 PolarHBondContact OD2-OG1 2.77Å; D176-V194 CarbonylContact O-C 3.53Å; D176-V194 WeakPolarHBondContact O-CA 3.48Å; D176-L195 PolarHBondContact N-O 3.23Å; D176-L195 PolarHBondContact O-N 3.43Å
177C89.9Confident89.6Confident1 Ų163.9 Ų63.91%0.00735%0.352CS..EExtended strand (participates in β ladder)trans-143.7142.3167.853.30000110.9K161 T165 V174 F193 V194K161-C177 WeakPolarHBondContact CD-O 3.25Å; K161-C177 WeakPolarHBondContact CE-O 3.27Å; K161-C177 WeakPolarHBondContact CE-SG 3.3Å; K161-C177 HydrophobicContact CG-CB 4.42Å; K161-C177 WeakPolarHBondContact CG-SG 3.09Å; K161-C177 PolarHBondContact NZ-O 3.29Å; T165-C177 PolarHBondContact OG1-SG 2.87Å; V174-C177 HydrophobicContact CG1-CB 4.38Å; C177-F193 CarbonylContact C-O 3.3Å; C177-F193 VanDerWaalsContact CA-O 3.3Å; C177-F193 WeakPolarHBondContact CA-O 3.27Å; C177-V194 HydrophobicContact CB-CB 4.44Å; C177-V194 HydrophobicContact CB-CG1 4.36Å; C177-V194 HydrophobicContact CB-CG2 3.84Å
178T90.3Very high89.5Confident45 Ų4563.2 Ų63.228%0.27635%0.351SS..EExtended strand (participates in β ladder)trans-135.6115.7-177.7-67.10000108.7D176 K180 G192 F193D176-T178 PolarHBondContact OD2-OG1 2.77Å; T178-K180 HydrophobicContact CG2-CD 4.49Å; T178-G192 CarbonylContact O-C 3.54Å; T178-G192 WeakPolarHBondContact O-CA 3.18Å; T178-F193 PolarHBondContact N-O 3.28Å; T178-F193 PolarHBondContact O-N 3.1Å
179I91.6Very high89.5Confident32 Ų3270.5 Ų70.516%0.16438%0.379CS..EExtended strand (participates in β ladder)trans-88.3131.6172.1-61.2-179.3000108.6L155 T159 S160 L164 T181 S188L155-I179 HydrophobicContact CD1-CG1 4.38Å; T159-I179 VanDerWaalsContact O-CD1 3.27Å; T159-I179 WeakPolarHBondContact O-CD1 3.3Å; S160-I179 VanDerWaalsContact C-CD1 3.42Å; L164-I179 HydrophobicContact CD2-CG1 4.24Å; I179-T181 PolarHBondContact O-N 2.79Å; I179-S188 WeakPolarHBondContact CG2-OG 3.13Å
180K89.6Confident89.4Confident87 Ų8767.7 Ų67.738%0.37836%0.361SS..EExtended strand (participates in β ladder)trans-84.6115177.3-67.8-58.4-173.5-174.30109.4T178 R189 F191 F193T178-K180 HydrophobicContact CG2-CD 4.49Å; K180-R189 VanDerWaalsContact O-CB 3.23Å; K180-R189 WeakPolarHBondContact O-CB 3.41Å; K180-R189 WeakPolarHBondContact O-CG 3.46Å; K180-R189 PolarHBondContact O-N 3.46Å; K180-F191 HydrophobicContact CB-CD2 4.09Å; K180-F191 HydrophobicContact CB-CE1 4.38Å; K180-F191 HydrophobicContact CB-CE2 3.58Å; K180-F191 HydrophobicContact CB-CZ 3.73Å; K180-F191 HydrophobicContact CG-CD2 4.11Å; K180-F191 HydrophobicContact CG-CE2 3.5Å; K180-F191 HydrophobicContact CG-CZ 4.06Å; K180-F191 PolarHBondContact N-O 2.81Å; K180-F193 HydrophobicContact CG-CD2 4.32Å; K180-F193 HydrophobicContact CG-CE2 4.15Å
181T91.5Very high89.5Confident73 Ų7362.1 Ų62.145%0.44834%0.341SS..EExtended strand (participates in β ladder)trans-99.3157171.152.90000110.5I179 R187I179-T181 PolarHBondContact O-N 2.79Å; T181-R187 CarbonylContact C-O 3.58Å; T181-R187 VanDerWaalsContact CA-O 3.26Å; T181-R187 WeakPolarHBondContact CA-O 3.39Å
182D88.8Confident89.7Confident53 Ų5360.8 Ų60.828%0.28334%0.335SS..  trans-70.6123.7169.5175.35.7000108.8V184 T185 G186 R187 R189D182-V184 PolarHBondContact O-N 3Å; D182-V184 PolarHBondContact OD1-N 2.75Å; D182-T185 WeakPolarHBondContact CB-OG1 3.21Å; D182-T185 VanDerWaalsContact CG-OG1 3.29Å; D182-T185 WeakPolarHBondContact OD2-CG2 3.17Å; D182-T185 PolarHBondContact OD2-OG1 2.79Å; D182-G186 VanDerWaalsContact O-CA 3.23Å; D182-G186 WeakPolarHBondContact O-CA 3.49Å; D182-G186 PolarHBondContact O-N 2.87Å; D182-R187 PolarHBondContact N-O 3.2Å; D182-R189 HydrophobicContact CB-CG 4.45Å
183P86.9Confident89.8Confident126 Ų12662.2 Ų62.282%0.81834%0.337SS*.THydrogen-bonded Turntrans-64.3-21.1-178.626.4-36.1000113.8
184V85.7Confident89.9Confident130 Ų13057.1 Ų57.179%0.78831%0.313SS*.THydrogen-bonded Turntrans-88.5-47.4-178.2-176.80000111.2D182D182-V184 PolarHBondContact O-N 3Å; D182-V184 PolarHBondContact OD1-N 2.75Å
185T88.5Confident89.8Confident92 Ų9257.5 Ų57.556%0.56431%0.314SS*.THydrogen-bonded Turntrans-96.7-12.2-174.463.20000113.6D182 R187D182-T185 WeakPolarHBondContact CB-OG1 3.21Å; D182-T185 VanDerWaalsContact CG-OG1 3.29Å; D182-T185 WeakPolarHBondContact OD2-CG2 3.17Å; D182-T185 PolarHBondContact OD2-OG1 2.79Å; T185-R187 PolarHBondContact O-N 2.88Å; T185-R187 VanDerWaalsContact O-N 3.08Å; T185-R187 WeakPolarHBondContact OG1-CB 3.44Å; T185-R187 PolarHBondContact OG1-N 3.01Å
186G85.9Confident89.9Confident52 Ų5254.5 Ų54.554%0.53630%0.295SS..  trans69.5-4.5-173.400000114D182D182-G186 VanDerWaalsContact O-CA 3.23Å; D182-G186 WeakPolarHBondContact O-CA 3.49Å; D182-G186 PolarHBondContact O-N 2.87Å
187R88.4Confident90Very high135 Ų13559.1 Ų59.151%0.50932%0.315SS..  trans-71.3140.5-176.4-165.7-177.8-166.9168.312.4110.9T181 D182 T185 R189T181-R187 CarbonylContact C-O 3.58Å; T181-R187 VanDerWaalsContact CA-O 3.26Å; T181-R187 WeakPolarHBondContact CA-O 3.39Å; D182-R187 PolarHBondContact N-O 3.2Å; T185-R187 PolarHBondContact O-N 2.88Å; T185-R187 VanDerWaalsContact O-N 3.08Å; T185-R187 WeakPolarHBondContact OG1-CB 3.44Å; T185-R187 PolarHBondContact OG1-N 3.01Å; R187-R189 PolarHBondContact O-N 2.82Å
188S90.8Very high90Very high11 Ų1163.5 Ų63.58%0.07734%0.338CS..EExtended strand (participates in β ladder)trans-59135171.5177.50000110.9W157 I179 G190W157-S188 WeakPolarHBondContact O-CB 3.3Å; I179-S188 WeakPolarHBondContact CG2-OG 3.13Å; S188-G190 PolarHBondContact O-N 3.22Å; S188-G190 PolarHBondContact OG-N 3.48Å
189R89.3Confident89.9Confident153 Ų15363.4 Ų63.458%0.57734%0.342SS*.EExtended strand (participates in β ladder)trans-79.43.2174.7-59.4178.263.6-176.3-3.4112.2K180 D182 R187 F191K180-R189 VanDerWaalsContact O-CB 3.23Å; K180-R189 WeakPolarHBondContact O-CB 3.41Å; K180-R189 WeakPolarHBondContact O-CG 3.46Å; K180-R189 PolarHBondContact O-N 3.46Å; D182-R189 HydrophobicContact CB-CG 4.45Å; R187-R189 PolarHBondContact O-N 2.82Å; R189-F191 VanDerWaalsContact C-N 3.32Å; R189-F191 HydrophobicContact CB-CD1 3.68Å; R189-F191 HydrophobicContact CB-CE1 3.39Å; R189-F191 HydrophobicContact CB-CZ 4.29Å; R189-F191 HydrophobicContact CG-CE1 4.29Å; R189-F191 WeakPolarHBondContact O-CD1 3.23Å
190G90.6Very high89.9Confident9 Ų964.7 Ų64.79%0.09336%0.357CS..EExtended strand (participates in β ladder)trans73.921.718000000113.7G154 L155 S188G154-G190 PolarHBondContact N-O 3.44Å; G154-G190 VanDerWaalsContact N-O 3.11Å; L155-G190 PolarHBondContact N-O 3.32Å; L155-G190 VanDerWaalsContact O-CA 3.31Å; L155-G190 WeakPolarHBondContact O-CA 3.49Å; S188-G190 PolarHBondContact O-N 3.22Å; S188-G190 PolarHBondContact OG-N 3.48Å
191F92.8Very high89.9Confident43 Ų4360.7 Ų60.719%0.18934%0.34CS..EExtended strand (participates in β ladder)trans-150156.9173.271-90.7000112F151 I152 K180 R189 F193F151-F191 HydrophobicContact CD2-CD2 4.38Å; F151-F191 HydrophobicContact CE2-CB 3.85Å; F151-F191 AromaticContact CE2-CD2 3.59Å; F151-F191 HydrophobicContact CE2-CD2 3.59Å; F151-F191 HydrophobicContact CE2-CE2 4.38Å; F151-F191 AromaticContact CE2-CG 3.95Å; F151-F191 HydrophobicContact CE2-CG 3.95Å; F151-F191 HydrophobicContact CZ-CB 3.89Å; F151-F191 HydrophobicContact CZ-CD2 4.39Å; F151-F191 HydrophobicContact CZ-CG 4.31Å; I152-F191 CarbonylContact O-C 3.5Å; I152-F191 WeakPolarHBondContact O-CA 3.49Å; I152-F191 WeakPolarHBondContact O-CB 3.17Å; K180-F191 HydrophobicContact CB-CD2 4.09Å; K180-F191 HydrophobicContact CB-CE1 4.38Å; K180-F191 HydrophobicContact CB-CE2 3.58Å; K180-F191 HydrophobicContact CB-CZ 3.73Å; K180-F191 HydrophobicContact CG-CD2 4.11Å; K180-F191 HydrophobicContact CG-CE2 3.5Å; K180-F191 HydrophobicContact CG-CZ 4.06Å; K180-F191 PolarHBondContact N-O 2.81Å; R189-F191 VanDerWaalsContact C-N 3.32Å; R189-F191 HydrophobicContact CB-CD1 3.68Å; R189-F191 HydrophobicContact CB-CE1 3.39Å; R189-F191 HydrophobicContact CB-CZ 4.29Å; R189-F191 HydrophobicContact CG-CE1 4.29Å; R189-F191 WeakPolarHBondContact O-CD1 3.23Å; F191-F193 HydrophobicContact CD2-CE2 4.44Å; F191-F193 HydrophobicContact CE2-CE2 4.21Å
192G92.3Very high89.8Confident0 Ų057.2 Ų57.20%032%0.319CS..EExtended strand (participates in β ladder)trans-148.6175.3-18000000112.7I152 T178I152-G192 PolarHBondContact N-O 2.57Å; I152-G192 PolarHBondContact O-N 3.47Å; T178-G192 CarbonylContact O-C 3.54Å; T178-G192 WeakPolarHBondContact O-CA 3.18Å
193F92.9Very high89.9Confident45 Ų4558.4 Ų58.420%0.19733%0.325CS..EExtended strand (participates in β ladder)trans-121.3142.5171.7-64.9-86.2000109.2M150 F151 C177 T178 K180 F191 A223M150-F193 CarbonylContact O-C 3.39Å; M150-F193 VanDerWaalsContact O-CA 3.27Å; M150-F193 WeakPolarHBondContact O-CA 3.26Å; F151-F193 HydrophobicContact CB-CD1 4.32Å; F151-F193 HydrophobicContact CB-CE1 4.15Å; F151-F193 HydrophobicContact CD2-CD1 4.43Å; F151-F193 AromaticContact CD2-CE1 3.83Å; F151-F193 HydrophobicContact CD2-CE1 3.83Å; F151-F193 AromaticContact CD2-CZ 3.96Å; F151-F193 HydrophobicContact CD2-CZ 3.96Å; F151-F193 HydrophobicContact CG-CE1 4.5Å; C177-F193 CarbonylContact C-O 3.3Å; C177-F193 VanDerWaalsContact CA-O 3.3Å; C177-F193 WeakPolarHBondContact CA-O 3.27Å; T178-F193 PolarHBondContact N-O 3.28Å; T178-F193 PolarHBondContact O-N 3.1Å; K180-F193 HydrophobicContact CG-CD2 4.32Å; K180-F193 HydrophobicContact CG-CE2 4.15Å; F191-F193 HydrophobicContact CD2-CE2 4.44Å; F191-F193 HydrophobicContact CE2-CE2 4.21Å; F193-A223 HydrophobicContact CD1-CB 4.25Å; F193-A223 HydrophobicContact CE1-CB 4.45Å
194V92.3Very high90.1Very high1 Ų157.8 Ų57.81%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-130.2136.8178.9-177.90000107.8K149 M150 I152 L164 L168 V174 D176 C177 F196K149-V194 CarbonylContact C-O 3.56Å; K149-V194 WeakPolarHBondContact CA-O 3.36Å; M150-V194 PolarHBondContact N-O 3.05Å; M150-V194 PolarHBondContact O-N 3.44Å; I152-V194 HydrophobicContact CG1-CG2 3.78Å; L164-V194 HydrophobicContact CD2-CG2 3.75Å; L164-V194 HydrophobicContact CG-CG2 4.11Å; L168-V194 HydrophobicContact CD1-CB 4.04Å; L168-V194 HydrophobicContact CD1-CG1 3.89Å; L168-V194 HydrophobicContact CD1-CG2 3.58Å; V174-V194 HydrophobicContact CB-CG1 4.42Å; V174-V194 HydrophobicContact CG1-CG1 3.58Å; V174-V194 HydrophobicContact CG2-CG1 4Å; D176-V194 CarbonylContact O-C 3.53Å; D176-V194 WeakPolarHBondContact O-CA 3.48Å; C177-V194 HydrophobicContact CB-CB 4.44Å; C177-V194 HydrophobicContact CB-CG1 4.36Å; C177-V194 HydrophobicContact CB-CG2 3.84Å; V194-F196 HydrophobicContact CG1-CD2 4.48Å; V194-F196 HydrophobicContact CG1-CE2 4.2Å; V194-F196 HydrophobicContact CG1-CZ 4.43Å
195L90.6Very high90.3Very high33 Ų3351.6 Ų51.617%0.17327%0.272CS..EExtended strand (participates in β ladder)trans-111115.5174.5-174.471.3000107.9I138 D146 K149 V175 D176I138-L195 HydrophobicContact CB-CD2 4.1Å; I138-L195 HydrophobicContact CG2-CD2 3.39Å; D146-L195 HydrophobicContact CB-CD1 4.17Å; K149-L195 HydrophobicContact CB-CD1 3.97Å; V175-L195 HydrophobicContact CB-CD2 4.26Å; V175-L195 HydrophobicContact CB-CG 4.42Å; V175-L195 HydrophobicContact CG1-CD2 4.24Å; V175-L195 PolarHBondContact N-O 3.22Å; D176-L195 PolarHBondContact N-O 3.23Å; D176-L195 PolarHBondContact O-N 3.43Å
196F92.2Very high90.4Very high5 Ų550.2 Ų50.22%0.02226%0.261CS..EExtended strand (participates in β ladder)trans-84.2154.1168.7-71.8-80.8000110.5G148 M150 L168 E173 V174 V194 D198 V202 V205G148-F196 PolarHBondContact O-N 3.39Å; M150-F196 HydrophobicContact CB-CE2 4.44Å; M150-F196 HydrophobicContact CE-CD2 4.48Å; M150-F196 HydrophobicContact CE-CE2 3.9Å; M150-F196 HydrophobicContact SD-CE2 4.2Å; L168-F196 HydrophobicContact CB-CE1 4.31Å; L168-F196 HydrophobicContact CB-CZ 3.91Å; L168-F196 HydrophobicContact CD2-CZ 4.3Å; L168-F196 HydrophobicContact CG-CZ 4.47Å; E173-F196 WeakPolarHBondContact O-CA 3.36Å; V174-F196 HydrophobicContact CG2-CD1 4.01Å; V174-F196 HydrophobicContact CG2-CE1 3.66Å; V174-F196 HydrophobicContact CG2-CZ 4.32Å; V194-F196 HydrophobicContact CG1-CD2 4.48Å; V194-F196 HydrophobicContact CG1-CE2 4.2Å; V194-F196 HydrophobicContact CG1-CZ 4.43Å; F196-D198 VanDerWaalsContact C-N 3.34Å; F196-D198 WeakPolarHBondContact CB-O 3.2Å; F196-V202 HydrophobicContact CB-CG2 4.48Å; F196-V202 HydrophobicContact CD2-CG2 3.78Å; F196-V202 HydrophobicContact CG-CG2 4.5Å; F196-V205 HydrophobicContact CE2-CG2 4.25Å; F196-V205 HydrophobicContact CZ-CG2 3.93Å
197K89.9Confident90.5Very high116 Ų11655.5 Ų55.550%0.50427%0.272SS..SBendtrans-65.7-41.8171.6-173.3172.6178.6174.60111.3E173 V175E173-K197 HydrophobicContact CB-CB 4.2Å; E173-K197 HydrophobicContact CB-CD 4.29Å; E173-K197 VanDerWaalsContact CD-NZ 3.26Å; E173-K197 HydrophobicContact CG-CD 4.24Å; E173-K197 PolarHBondContact O-N 3.35Å; E173-K197 WeakPolarHBondContact OE1-CD 3.23Å; E173-K197 IonicContact OE1-NZ 3.04Å; E173-K197 PolarHBondContact OE1-NZ 2.65Å; E173-K197 WeakPolarHBondContact OE2-CD 3.47Å; E173-K197 IonicContact OE2-NZ 2.72Å; E173-K197 PolarHBondContact OE2-NZ 3Å; V175-K197 HydrophobicContact CG2-CB 3.67Å; V175-K197 HydrophobicContact CG2-CG 4.35Å
198D89.1Confident90.4Very high93 Ų9353.1 Ų53.150%0.49727%0.268SS..SBendtrans-113.5135.9-178.6-60.3-45.6000111.2F196 A200 S201F196-D198 VanDerWaalsContact C-N 3.34Å; F196-D198 WeakPolarHBondContact CB-O 3.2Å; D198-A200 PolarHBondContact O-N 3.45Å; D198-S201 WeakPolarHBondContact O-CB 3.34Å; D198-S201 PolarHBondContact O-N 2.86Å; D198-S201 VanDerWaalsContact O-N 3.15Å
199A88.8Confident89.8Confident42 Ų4262.2 Ų62.235%0.34731%0.307SS..Hα-helixtrans-64.5-25.6172.900000112.3D147 S201 V202 D203D147-A199 HydrophobicContact CB-CB 4.11Å; A199-S201 PolarHBondContact O-N 3.11Å; A199-V202 VanDerWaalsContact O-CB 3.28Å; A199-V202 WeakPolarHBondContact O-CB 3.3Å; A199-V202 PolarHBondContact O-N 2.77Å; A199-D203 PolarHBondContact O-N 3.35Å
200A90.6Very high89.8Confident59 Ų5962.1 Ų62.149%0.48831%0.313SS..Hα-helixtrans-62.9-28.7174.900000112.7D198 V202 D203 K204D198-A200 PolarHBondContact O-N 3.45Å; A200-V202 VanDerWaalsContact C-N 3.27Å; A200-V202 PolarHBondContact O-N 3.24Å; A200-D203 PolarHBondContact O-N 3.29Å; A200-K204 WeakPolarHBondContact O-CG 3.21Å; A200-K204 PolarHBondContact O-N 3.17Å
201S90.5Very high89.7Confident4 Ų461.8 Ų61.83%0.02831%0.309CS..Hα-helixtrans-66.2-33174.3-56.40000111.6G172 D198 A199 D203 K204 V205G172-S201 WeakPolarHBondContact CA-OG 3.32Å; D198-S201 WeakPolarHBondContact O-CB 3.34Å; D198-S201 PolarHBondContact O-N 2.86Å; D198-S201 VanDerWaalsContact O-N 3.15Å; A199-S201 PolarHBondContact O-N 3.11Å; S201-D203 VanDerWaalsContact C-N 3.33Å; S201-K204 PolarHBondContact O-N 3.41Å; S201-V205 WeakPolarHBondContact O-CG2 3.43Å; S201-V205 PolarHBondContact O-N 2.93Å
202V89.5Confident89.5Confident0 Ų066 Ų660%033%0.327CS..Hα-helixtrans-63.4-42.4175.5172.50000110.6M150 F196 A199 A200 V205 L206 R222M150-V202 HydrophobicContact CE-CB 3.76Å; M150-V202 HydrophobicContact CE-CG1 3.52Å; M150-V202 HydrophobicContact CE-CG2 3.97Å; M150-V202 WeakPolarHBondContact CE-O 3.16Å; F196-V202 HydrophobicContact CB-CG2 4.48Å; F196-V202 HydrophobicContact CD2-CG2 3.78Å; F196-V202 HydrophobicContact CG-CG2 4.5Å; A199-V202 VanDerWaalsContact O-CB 3.28Å; A199-V202 WeakPolarHBondContact O-CB 3.3Å; A199-V202 PolarHBondContact O-N 2.77Å; A200-V202 VanDerWaalsContact C-N 3.27Å; A200-V202 PolarHBondContact O-N 3.24Å; V202-V205 PolarHBondContact O-N 2.97Å; V202-L206 HydrophobicContact CG1-CD1 3.89Å; V202-L206 VanDerWaalsContact O-CG 3.3Å; V202-L206 WeakPolarHBondContact O-CG 3.4Å; V202-L206 PolarHBondContact O-N 3.34Å; V202-L206 VanDerWaalsContact O-N 3.1Å; V202-R222 HydrophobicContact CG1-CG 4.03Å
203D90.6Very high89.3Confident78 Ų7866.7 Ų66.742%0.41733%0.331SS..Hα-helixtrans-64.6-42.1177.9-75.4-53.4000112.8A199 A200 S201 V205 L206 E207 R222A199-D203 PolarHBondContact O-N 3.35Å; A200-D203 PolarHBondContact O-N 3.29Å; S201-D203 VanDerWaalsContact C-N 3.33Å; D203-V205 VanDerWaalsContact C-N 3.3Å; D203-V205 PolarHBondContact O-N 3.27Å; D203-L206 PolarHBondContact O-N 2.88Å; D203-L206 VanDerWaalsContact O-N 3.12Å; D203-E207 WeakPolarHBondContact O-CB 3.2Å; D203-E207 PolarHBondContact O-N 2.93Å; D203-R222 IonicContact OD1-CZ 2.82Å; D203-R222 IonicContact OD1-NH2 3.05Å; D203-R222 PolarHBondContact OD1-NH2 2.79Å; D203-R222 IonicContact OD2-NH2 3.47Å; D203-R222 PolarHBondContact OD2-NH2 2.85Å
204K90.9Very high88.9Confident112 Ų11268.8 Ų68.849%0.48734%0.344SS..Hα-helixtrans-61.2-37.3176.7-69.2174.7-175.3177.80113.2A200 S201A200-K204 WeakPolarHBondContact O-CG 3.21Å; A200-K204 PolarHBondContact O-N 3.17Å; S201-K204 PolarHBondContact O-N 3.41Å
205V90.3Very high88.5Confident0 Ų071.4 Ų71.40%037%0.372CS..Hα-helixtrans-66.5-48.1174178.20000109.1M150 L168 F171 F196 S201 V202 D203 E207 L208 H211 P220M150-V205 HydrophobicContact CE-CB 3.53Å; M150-V205 HydrophobicContact CE-CG1 3.8Å; M150-V205 HydrophobicContact CE-CG2 3.89Å; M150-V205 HydrophobicContact SD-CB 4.12Å; M150-V205 HydrophobicContact SD-CG1 3.7Å; M150-V205 HydrophobicContact SD-CG2 4.42Å; L168-V205 HydrophobicContact CD2-CG1 4.35Å; L168-V205 HydrophobicContact CD2-CG2 4.23Å; F171-V205 HydrophobicContact CB-CG2 3.53Å; F171-V205 HydrophobicContact CD1-CG2 4.44Å; F171-V205 HydrophobicContact CD2-CG2 3.65Å; F171-V205 HydrophobicContact CE2-CG2 4.49Å; F171-V205 HydrophobicContact CG-CG2 3.61Å; F196-V205 HydrophobicContact CE2-CG2 4.25Å; F196-V205 HydrophobicContact CZ-CG2 3.93Å; S201-V205 WeakPolarHBondContact O-CG2 3.43Å; S201-V205 PolarHBondContact O-N 2.93Å; V202-V205 PolarHBondContact O-N 2.97Å; D203-V205 VanDerWaalsContact C-N 3.3Å; D203-V205 PolarHBondContact O-N 3.27Å; V205-E207 VanDerWaalsContact C-N 3.25Å; V205-E207 PolarHBondContact O-N 2.79Å; V205-L208 WeakPolarHBondContact O-CB 3.23Å; V205-L208 PolarHBondContact O-N 2.88Å; V205-H211 WeakPolarHBondContact CG1-NE2 3.31Å; V205-H211 PolarHBondContact O-CE1 2.86Å; V205-H211 PolarHBondContact O-NE2 2.88Å; V205-P220 HydrophobicContact CG1-CB 3.52Å; V205-P220 HydrophobicContact CG1-CG 3.57Å
206L89.9Confident88.5Confident63 Ų6373.8 Ų73.833%0.3338%0.38SS..Hα-helixtrans-67.3-24.6-177.7-65.8167.9000114.2V202 D203 L208 P220 R222V202-L206 HydrophobicContact CG1-CD1 3.89Å; V202-L206 VanDerWaalsContact O-CG 3.3Å; V202-L206 WeakPolarHBondContact O-CG 3.4Å; V202-L206 PolarHBondContact O-N 3.34Å; V202-L206 VanDerWaalsContact O-N 3.1Å; D203-L206 PolarHBondContact O-N 2.88Å; D203-L206 VanDerWaalsContact O-N 3.12Å; L206-L208 PolarHBondContact O-N 2.84Å; L206-P220 VanDerWaalsContact CD2-O 3.29Å; L206-P220 WeakPolarHBondContact CD2-O 3.29Å; L206-R222 HydrophobicContact CD1-CG 3.53Å
207E89.4Confident88.4Confident164 Ų16479 Ų7977%0.76641%0.408SS*.Hα-helixtrans-62.7-32172.8-172.2172.3-167.400111.4D203 V205 K209D203-E207 WeakPolarHBondContact O-CB 3.2Å; D203-E207 PolarHBondContact O-N 2.93Å; V205-E207 VanDerWaalsContact C-N 3.25Å; V205-E207 PolarHBondContact O-N 2.79Å; E207-K209 PolarHBondContact O-N 2.94Å
208L86.3Confident88.5Confident84 Ų8474 Ų7444%0.4439%0.387SS..  trans-81.1113.2169.7-68.9179.8000110.3F171 V205 L206 E210 H211F171-L208 HydrophobicContact CD1-CD1 4.35Å; F171-L208 HydrophobicContact CE1-CD1 3.22Å; F171-L208 HydrophobicContact CE1-CG 4.37Å; F171-L208 HydrophobicContact CZ-CD1 3.39Å; V205-L208 WeakPolarHBondContact O-CB 3.23Å; V205-L208 PolarHBondContact O-N 2.88Å; L206-L208 PolarHBondContact O-N 2.84Å; L208-E210 PolarHBondContact O-N 3.19Å; L208-H211 WeakPolarHBondContact CB-NE2 3.29Å; L208-H211 PolarHBondContact O-CD2 2.81Å; L208-H211 PolarHBondContact O-NE2 3.12Å
209K78.1Confident88.6Confident203 Ų20374.3 Ų74.388%0.88339%0.388SS*.SBendtrans-69.4-23.8-179.3-165.9173.7-179.7178.60113.3E207E207-K209 PolarHBondContact O-N 2.94Å
210E87.4Confident88.7Confident150 Ų15073 Ų7370%0.70138%0.376SS*.  trans-132.8124.8-175.7-64.7-174174.400111L208L208-E210 PolarHBondContact O-N 3.19Å
211H88.8Confident88.7Confident2 Ų275.4 Ų75.41%0.00938%0.375CS..EExtended strand (participates in β ladder)trans-124.5138174.6-67.8-87.4000109.8Y167 F171 V205 L208 L217 I218 P220Y167-H211 HydrophobicContact CE1-CB 4.22Å; Y167-H211 AromaticContact CE1-ND1 3.73Å; Y167-H211 AromaticContact CZ-ND1 3.93Å; Y167-H211 PolarHBondContact OH-ND1 2.86Å; F171-H211 AromaticContact CE2-CE1 3.85Å; F171-H211 AromaticContact CE2-ND1 3.98Å; F171-H211 AromaticContact CZ-CE1 3.72Å; F171-H211 AromaticContact CZ-ND1 3.96Å; V205-H211 WeakPolarHBondContact CG1-NE2 3.31Å; V205-H211 PolarHBondContact O-CE1 2.86Å; V205-H211 PolarHBondContact O-NE2 2.88Å; L208-H211 WeakPolarHBondContact CB-NE2 3.29Å; L208-H211 PolarHBondContact O-CD2 2.81Å; L208-H211 PolarHBondContact O-NE2 3.12Å; H211-L217 CarbonylContact O-C 3.58Å; H211-L217 VanDerWaalsContact O-CA 3.3Å; H211-L217 WeakPolarHBondContact O-CA 3.39Å; H211-I218 HydrophobicContact CB-CD1 3.73Å; H211-I218 HydrophobicContact CB-CG1 3.23Å; H211-I218 PolarHBondContact O-N 3.08Å; H211-P220 WeakPolarHBondContact CD2-CG 3.36Å
212K89.1Confident88.7Confident132 Ų13280.1 Ų80.157%0.57439%0.393SS*.EExtended strand (participates in β ladder)trans-129125.5-179.4-169.2175.5177178.50110.1Y167 G215 K216 L217Y167-K212 VanDerWaalsContact CE2-O 3.3Å; Y167-K212 WeakPolarHBondContact CE2-O 3.36Å; Y167-K212 PolarHBondContact OH-N 3.01Å; K212-G215 WeakPolarHBondContact CE-O 3.3Å; K212-K216 CarbonylContact C-O 3.59Å; K212-K216 VanDerWaalsContact CA-O 3.27Å; K212-K216 WeakPolarHBondContact CA-O 3.27Å; K212-K216 WeakPolarHBondContact CG-O 3.48Å; K212-L217 HydrophobicContact CB-CD2 4.29Å
213L88.6Confident88.4Confident14 Ų1481 Ų817%0.07340%0.399CS..EExtended strand (participates in β ladder)trans-132.6130.8177.2-169.866.8000108.6L155 T159 L164 Y167 G215 K216 I218L155-L213 HydrophobicContact CD2-CD2 4.09Å; T159-L213 HydrophobicContact CG2-CD2 3.48Å; T159-L213 VanDerWaalsContact CG2-CD2 3.48Å; T159-L213 HydrophobicContact CG2-CG 4.31Å; L164-L213 HydrophobicContact CD1-CD2 4.04Å; Y167-L213 HydrophobicContact CD2-CD1 3.85Å; Y167-L213 HydrophobicContact CG-CD1 3.76Å; L213-G215 PolarHBondContact O-N 3.3Å; L213-G215 VanDerWaalsContact O-N 3.12Å; L213-K216 PolarHBondContact N-O 3.16Å; L213-K216 PolarHBondContact O-N 2.83Å; L213-K216 VanDerWaalsContact O-O 3.06Å; L213-I218 HydrophobicContact CB-CD1 4.39Å; L213-I218 HydrophobicContact CB-CG2 3.77Å
214D84.6Confident87.9Confident89 Ų8985 Ų8548%0.47641%0.413SS..THydrogen-bonded Turntrans51.936.6179.3-52.7-30.8000114.5T159 K216T159-D214 PolarHBondContact OG1-OD2 3.21Å; D214-K216 PolarHBondContact O-N 3.05Å
215G84.1Confident86.7Confident57 Ų5780.7 Ų80.759%0.58840%0.399SS*.THydrogen-bonded Turntrans79.9-6.2-178.100000115K212 L213K212-G215 WeakPolarHBondContact CE-O 3.3Å; L213-G215 PolarHBondContact O-N 3.3Å; L213-G215 VanDerWaalsContact O-N 3.12Å
216K89.1Confident85.4Confident82 Ų8287.6 Ų87.636%0.35744%0.435SS..EExtended strand (participates in β ladder)trans-104.4147177.8-76.5179.6-177.7161.70112.2S156 K212 L213 D214S156-K216 PolarHBondContact OG-NZ 2.6Å; K212-K216 CarbonylContact C-O 3.59Å; K212-K216 VanDerWaalsContact CA-O 3.27Å; K212-K216 WeakPolarHBondContact CA-O 3.27Å; K212-K216 WeakPolarHBondContact CG-O 3.48Å; L213-K216 PolarHBondContact N-O 3.16Å; L213-K216 PolarHBondContact O-N 2.83Å; L213-K216 VanDerWaalsContact O-O 3.06Å; D214-K216 PolarHBondContact O-N 3.05Å
217L90.7Very high83.7Confident116 Ų11691.8 Ų91.861%0.60745%0.451SS*.EExtended strand (participates in β ladder)trans-78125.5171.7-70.1172000109.4H211 K212H211-L217 CarbonylContact O-C 3.58Å; H211-L217 VanDerWaalsContact O-CA 3.3Å; H211-L217 WeakPolarHBondContact O-CA 3.39Å; K212-L217 HydrophobicContact CB-CD2 4.29Å
218I93.1Very high81.8Confident10 Ų1085.4 Ų85.45%0.05143%0.429CS..EExtended strand (participates in β ladder)trans-100.8146.8175.671.3175.9000109I152 G153 L155 Y167 H211 L213 P220I152-I218 HydrophobicContact CG2-CB 4.1Å; I152-I218 HydrophobicContact CG2-CD1 4Å; I152-I218 HydrophobicContact CG2-CG1 4.4Å; G153-I218 CarbonylContact O-C 3.56Å; G153-I218 VanDerWaalsContact O-CA 3.29Å; G153-I218 WeakPolarHBondContact O-CA 3.3Å; L155-I218 HydrophobicContact CD2-CB 4.48Å; L155-I218 HydrophobicContact CD2-CG2 3.84Å; Y167-I218 HydrophobicContact CD1-CD1 4.12Å; Y167-I218 HydrophobicContact CE1-CD1 3.83Å; H211-I218 HydrophobicContact CB-CD1 3.73Å; H211-I218 HydrophobicContact CB-CG1 3.23Å; H211-I218 PolarHBondContact O-N 3.08Å; L213-I218 HydrophobicContact CB-CD1 4.39Å; L213-I218 HydrophobicContact CB-CG2 3.77Å; I218-P220 VanDerWaalsContact O-CD 3.3Å; I218-P220 WeakPolarHBondContact O-CD 3.49Å
219D90.4Very high80.3Confident100 Ų10090.9 Ų90.954%0.53545%0.449SS..EExtended strand (participates in β ladder)trans-115.188.6-179.3-177.334.3000109.2G153G153-D219 PolarHBondContact N-O 2.98Å; G153-D219 PolarHBondContact O-N 3.22Å
220P91.1Very high79Confident13 Ų1386.2 Ų86.28%0.08443%0.43CS..EExtended strand (participates in β ladder)trans-73.5132.1173.825.6-25.6000110.4M150 F151 I152 V205 L206 H211 I218M150-P220 HydrophobicContact CG-CB 4.42Å; M150-P220 HydrophobicContact SD-CB 3.53Å; M150-P220 VanDerWaalsContact SD-CB 3.53Å; F151-P220 CarbonylContact O-C 3.49Å; F151-P220 WeakPolarHBondContact O-CA 3.46Å; I152-P220 HydrophobicContact CD1-CB 3.79Å; V205-P220 HydrophobicContact CG1-CB 3.52Å; V205-P220 HydrophobicContact CG1-CG 3.57Å; L206-P220 VanDerWaalsContact CD2-O 3.29Å; L206-P220 WeakPolarHBondContact CD2-O 3.29Å; H211-P220 WeakPolarHBondContact CD2-CG 3.36Å; I218-P220 VanDerWaalsContact O-CD 3.3Å; I218-P220 WeakPolarHBondContact O-CD 3.49Å
221K90.9Very high77.5Confident110 Ų11081.6 Ų81.648%0.47841%0.413SS..EExtended strand (participates in β ladder)trans-138.6147.9179.1-166.7166.9-169.3156.20109.5M150 F151 A223M150-K221 WeakPolarHBondContact CG-O 3.47Å; F151-K221 HydrophobicContact CD1-CB 4.2Å; F151-K221 PolarHBondContact N-O 3.09Å; F151-K221 PolarHBondContact O-N 3.29Å; F151-K221 VanDerWaalsContact O-O 3.13Å; K221-A223 PolarHBondContact O-N 3.43Å; K221-A223 VanDerWaalsContact O-N 3.16Å
222R89.3Confident76.3Confident104 Ų10483.1 Ų83.139%0.39242%0.423SS..EExtended strand (participates in β ladder)trans-52127169.1-66.4-170.2169.1-105.47.3109.3V202 D203 L206 K224V202-R222 HydrophobicContact CG1-CG 4.03Å; D203-R222 IonicContact OD1-CZ 2.82Å; D203-R222 IonicContact OD1-NH2 3.05Å; D203-R222 PolarHBondContact OD1-NH2 2.79Å; D203-R222 IonicContact OD2-NH2 3.47Å; D203-R222 PolarHBondContact OD2-NH2 2.85Å; L206-R222 HydrophobicContact CD1-CG 3.53Å; R222-K224 PolarHBondContact O-N 3.47Å
223A83.8Confident75.7Confident17 Ų1781.6 Ų81.614%0.1442%0.417CS..  trans-65.2114.9-17800000108K149 F151 F193 K221 A225K149-A223 VanDerWaalsContact C-CB 3.5Å; K149-A223 HydrophobicContact CB-CB 3.9Å; K149-A223 HydrophobicContact CD-CB 4.04Å; K149-A223 HydrophobicContact CG-CB 3.65Å; K149-A223 WeakPolarHBondContact O-CB 3.23Å; K149-A223 PolarHBondContact O-N 3.4Å; F151-A223 HydrophobicContact CB-CB 4.46Å; F193-A223 HydrophobicContact CD1-CB 4.25Å; F193-A223 HydrophobicContact CE1-CB 4.45Å; K221-A223 PolarHBondContact O-N 3.43Å; K221-A223 VanDerWaalsContact O-N 3.16Å; A223-A225 PolarHBondContact O-N 2.72Å
224K79.1Confident75.6Confident163 Ų16384.1 Ų84.171%0.70943%0.427SS*.  trans-70.6116.3161.2-64.9-174.3179.1-174.50105R222 L226R222-K224 PolarHBondContact O-N 3.47Å; K224-L226 VanDerWaalsContact C-N 3.31Å; K224-L226 PolarHBondContact O-N 3.38Å
225A67Low75.7Confident22 Ų2279.9 Ų79.918%0.18241%0.405CS..  trans-51.3110.516000000105Q145 A223 K227Q145-A225 HydrophobicContact CG-CB 3.79Å; A223-A225 PolarHBondContact O-N 2.72Å; A225-K227 PolarHBondContact O-N 3.44Å
226L62.7Low76Confident145 Ų14579.5 Ų79.576%0.75939%0.387SS*.  trans-58.7104.1164.1-155.177.3000101.3N143 K224 G228N143-L226 PolarHBondContact OD1-O 3.4Å; K224-L226 VanDerWaalsContact C-N 3.31Å; K224-L226 PolarHBondContact O-N 3.38Å; L226-G228 WeakPolarHBondContact O-CA 3.44Å; L226-G228 PolarHBondContact O-N 2.98Å
227K54.5Low75.9Confident151 Ų15175.6 Ų75.666%0.65737%0.37SS*.  trans-57.687.4171.4-76.9-169.7176.3-165.30103.9A225 K229A225-K227 PolarHBondContact O-N 3.44Å; K227-K229 PolarHBondContact O-N 3.49Å
228G49.3Very low75.8Confident30 Ų3070.4 Ų70.431%0.30934%0.344SS..  trans-76.393.3-162.800000103.9N143 L226 E230N143-G228 VanDerWaalsContact ND2-CA 3.3Å; N143-G228 WeakPolarHBondContact ND2-CA 3.41Å; N143-G228 PolarHBondContact ND2-N 3.49Å; N143-G228 PolarHBondContact ND2-O 3.22Å; L226-G228 WeakPolarHBondContact O-CA 3.44Å; L226-G228 PolarHBondContact O-N 2.98Å; G228-E230 PolarHBondContact O-N 3.32Å
229K55Low75.4Confident198 Ų19872.2 Ų72.286%0.86137%0.365SS*.  trans26.764.3-177.3-69.4178.8176.7-1790109.8K227K227-K229 PolarHBondContact O-N 3.49Å
230E50.3Low75.2Confident106 Ų10668.1 Ų68.150%0.49534%0.343SS..  trans-46.6125.4161.1-75.5174.6-17900104.1G228 P232G228-E230 PolarHBondContact O-N 3.32Å; E230-P232 VanDerWaalsContact O-CD 3.24Å; E230-P232 WeakPolarHBondContact O-CD 3.49Å
231P55.1Low74.7Confident52 Ų5268.7 Ų68.734%0.33835%0.348SS..  trans-50.5114.9176.822.4-31.5000104K233 E284P231-K233 PolarHBondContact O-N 3.17Å; P231-E284 HydrophobicContact CG-CB 4.03Å; P231-E284 VanDerWaalsContact CG-OE2 3.32Å; P231-E284 WeakPolarHBondContact CG-OE2 3.11Å
232P64.4Low74.1Confident34 Ų3466.9 Ų66.922%0.22135%0.347CS..  trans-59.2122.3-168.821.1-30.5000104.9E230 K234 V307E230-P232 VanDerWaalsContact O-CD 3.24Å; E230-P232 WeakPolarHBondContact O-CD 3.49Å; P232-K234 WeakPolarHBondContact CB-O 3.2Å; P232-K234 WeakPolarHBondContact CG-O 3.37Å; P232-K234 CarbonylContact O-C 3.55Å; P232-K234 PolarHBondContact O-N 3.17Å; P232-K234 VanDerWaalsContact O-O 3.06Å; P232-V307 HydrophobicContact CG-CB 4.33Å; P232-V307 HydrophobicContact CG-CG1 3.3Å
233K77.4Confident73.6Confident101 Ų10168.1 Ų68.144%0.43936%0.361SS..SBendtrans-50.7-20.3169.7-62.5-171.2177.8-1580111P231 T280 Y281 T282P231-K233 PolarHBondContact O-N 3.17Å; K233-T280 HydrophobicContact CB-CG2 4.43Å; K233-T280 CarbonylContact O-C 3.42Å; K233-T280 WeakPolarHBondContact O-CA 3.33Å; K233-Y281 WeakPolarHBondContact CB-O 3.47Å; K233-Y281 PolarHBondContact O-N 3.48Å; K233-T282 PolarHBondContact NZ-O 3.45Å
234K85.3Confident73.5Confident66 Ų6667.5 Ų67.529%0.28736%0.356SS..EExtended strand (participates in β ladder)trans-84.8122.2168.7-161.3168.3-173.4166.20112.8P232 E263 F278 I279 A308P232-K234 WeakPolarHBondContact CB-O 3.2Å; P232-K234 WeakPolarHBondContact CG-O 3.37Å; P232-K234 CarbonylContact O-C 3.55Å; P232-K234 PolarHBondContact O-N 3.17Å; P232-K234 VanDerWaalsContact O-O 3.06Å; K234-E263 IonicContact NZ-OE2 2.86Å; K234-E263 PolarHBondContact NZ-OE2 2.79Å; K234-F278 HydrophobicContact CD-CB 4.25Å; K234-F278 HydrophobicContact CD-CD1 4.42Å; K234-F278 VanDerWaalsContact CE-CG 3.46Å; K234-F278 HydrophobicContact CG-CB 4.1Å; K234-F278 HydrophobicContact CG-CD1 4.35Å; K234-I279 CarbonylContact C-O 3.56Å; K234-I279 VanDerWaalsContact CA-O 3.27Å; K234-I279 WeakPolarHBondContact CA-O 3.22Å; K234-A308 HydrophobicContact CB-CB 3.91Å; K234-A308 HydrophobicContact CD-CB 4.33Å; K234-A308 HydrophobicContact CG-CB 3.73Å; K234-A308 WeakPolarHBondContact O-CB 3.45Å; K234-A308 PolarHBondContact O-N 3.06Å
235V87.9Confident73.8Confident1 Ų161.1 Ų61.11%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-106.3139175.4-176.70000109.1V237 F278 I279 Y281 V287 I305V235-V237 HydrophobicContact CG1-CG2 4.25Å; V235-F278 CarbonylContact O-C 3.59Å; V235-F278 VanDerWaalsContact O-CA 3.23Å; V235-F278 WeakPolarHBondContact O-CA 3.42Å; V235-I279 PolarHBondContact N-O 3.44Å; V235-I279 PolarHBondContact O-N 2.78Å; V235-Y281 HydrophobicContact CG2-CD2 4.08Å; V235-Y281 HydrophobicContact CG2-CE2 3.92Å; V235-V287 HydrophobicContact CG2-CB 4.01Å; V235-V287 HydrophobicContact CG2-CG1 3.74Å; V235-V287 HydrophobicContact CG2-CG2 3.54Å; V235-I305 HydrophobicContact CG1-CG2 3.26Å
236F88.5Confident74.6Confident49 Ų4964.7 Ų64.722%0.21535%0.345CS..EExtended strand (participates in β ladder)trans-93.9127.1167.6171.2-91.2000109F276 F278 I305 K306 A308F236-F276 HydrophobicContact CD2-CD2 4.35Å; F236-F276 HydrophobicContact CE2-CB 3.59Å; F236-F276 HydrophobicContact CE2-CD1 4.44Å; F236-F276 AromaticContact CE2-CD2 3.7Å; F236-F276 HydrophobicContact CE2-CD2 3.7Å; F236-F276 AromaticContact CE2-CG 3.67Å; F236-F276 HydrophobicContact CE2-CG 3.67Å; F236-F276 HydrophobicContact CZ-CB 3.72Å; F236-F276 HydrophobicContact CZ-CG 4.14Å; F236-F278 HydrophobicContact CB-CD1 4.13Å; F236-F278 HydrophobicContact CB-CE1 4.04Å; F236-F278 HydrophobicContact CD2-CD1 4.13Å; F236-F278 AromaticContact CD2-CE1 3.58Å; F236-F278 HydrophobicContact CD2-CE1 3.58Å; F236-F278 AromaticContact CD2-CZ 3.85Å; F236-F278 HydrophobicContact CD2-CZ 3.85Å; F236-F278 HydrophobicContact CE2-CZ 4.44Å; F236-F278 HydrophobicContact CG-CE1 4.3Å; F236-I305 WeakPolarHBondContact O-CA 3.39Å; F236-K306 HydrophobicContact CB-CB 4.37Å; F236-K306 HydrophobicContact CD1-CB 4Å; F236-K306 HydrophobicContact CD1-CD 4.46Å; F236-K306 HydrophobicContact CD1-CG 4.5Å; F236-K306 PolarHBondContact N-O 2.93Å; F236-K306 PolarHBondContact O-N 3.14Å; F236-A308 HydrophobicContact CB-CB 4.38Å
237V88.9Confident75.8Confident0 Ų065.1 Ų65.10%034%0.343CS..EExtended strand (participates in β ladder)trans-117.2107.1174.9-175.30000107.4V235 L240 F253 F276 C277 I279 C303 E304V235-V237 HydrophobicContact CG1-CG2 4.25Å; V237-L240 HydrophobicContact CB-CD1 4.36Å; V237-L240 HydrophobicContact CG1-CD1 3.96Å; V237-L240 HydrophobicContact CG1-CD2 4.01Å; V237-L240 HydrophobicContact CG1-CG 3.97Å; V237-F253 HydrophobicContact CB-CZ 4.31Å; V237-F253 HydrophobicContact CG1-CE2 3.98Å; V237-F253 HydrophobicContact CG1-CZ 3.67Å; V237-F253 HydrophobicContact CG2-CE1 4.18Å; V237-F253 HydrophobicContact CG2-CE2 4.06Å; V237-F253 HydrophobicContact CG2-CZ 3.65Å; V237-F276 CarbonylContact O-C 3.5Å; V237-F276 WeakPolarHBondContact O-CA 3.24Å; V237-F276 VanDerWaalsContact O-CB 3.32Å; V237-F276 WeakPolarHBondContact O-CB 3.34Å; V237-C277 PolarHBondContact N-O 3.39Å; V237-C277 PolarHBondContact O-N 3.24Å; V237-I279 HydrophobicContact CG2-CD1 3.91Å; V237-I279 HydrophobicContact CG2-CG1 4.31Å; V237-C303 HydrophobicContact CG1-CB 3.72Å; V237-E304 CarbonylContact C-O 3.55Å; V237-E304 WeakPolarHBondContact CA-O 3.35Å
238G87.8Confident77.3Confident7 Ų761.8 Ų61.87%0.07233%0.33CS..EExtended strand (participates in β ladder)trans-103.2163.7177.800000112.4L240 G275 C303 E304G238-L240 VanDerWaalsContact C-N 3.34Å; G238-G275 CarbonylContact C-O 3.46Å; G238-C303 CarbonylContact O-C 3.57Å; G238-C303 WeakPolarHBondContact O-CA 3.32Å; G238-C303 VanDerWaalsContact O-CB 3.32Å; G238-C303 WeakPolarHBondContact O-CB 3.21Å; G238-E304 PolarHBondContact N-O 3.16Å; G238-E304 PolarHBondContact O-N 3.35Å
239G84.8Confident79.1Confident48 Ų4860.4 Ų60.450%0.49532%0.315SS..  trans76.620.6178.200000114.2G275 K302G239-G275 PolarHBondContact N-O 3.3Å; G239-K302 CarbonylContact O-C 3.55Å
240L85.1Confident80.7Confident13 Ų1356.9 Ų56.97%0.06830%0.3CS..  trans-71.4139.5171.3-67.1168.9000109.5V237 G238 T244 I249 G275 C277 I298 C303V237-L240 HydrophobicContact CB-CD1 4.36Å; V237-L240 HydrophobicContact CG1-CD1 3.96Å; V237-L240 HydrophobicContact CG1-CD2 4.01Å; V237-L240 HydrophobicContact CG1-CG 3.97Å; G238-L240 VanDerWaalsContact C-N 3.34Å; L240-T244 HydrophobicContact CD2-CG2 4.42Å; L240-I249 HydrophobicContact CD1-CD1 3.77Å; L240-I249 HydrophobicContact CD1-CG1 4.38Å; L240-I249 HydrophobicContact CD2-CG1 4.45Å; L240-G275 PolarHBondContact N-O 3.15Å; L240-G275 WeakPolarHBondContact O-CA 3.41Å; L240-C277 HydrophobicContact CD1-CB 3.87Å; L240-C277 WeakPolarHBondContact CD1-SG 3.46Å; L240-I298 HydrophobicContact CD2-CB 4.49Å; L240-I298 HydrophobicContact CD2-CD1 4.18Å; L240-C303 HydrophobicContact CD2-CB 3.82Å; L240-C303 HydrophobicContact CG-CB 4.3Å
241S81.4Confident82.6Confident25 Ų2559.4 Ų59.418%0.17531%0.312CS..  trans-66.4143.1172.4-171.20000109.1D243 T244S241-D243 PolarHBondContact O-N 3Å; S241-D243 VanDerWaalsContact O-N 3.14Å; S241-T244 VanDerWaalsContact O-CB 3.31Å; S241-T244 WeakPolarHBondContact O-CB 3.47Å; S241-T244 PolarHBondContact O-N 3.31Å; S241-T244 PolarHBondContact O-OG1 3.32Å
242P78.3Confident84.1Confident72 Ų7260.7 Ų60.747%0.46831%0.31SS..THydrogen-bonded Turntrans-58.3-23.8172.625-35.2000112.5T244 R273P242-T244 VanDerWaalsContact C-N 3.3Å; P242-T244 PolarHBondContact O-N 3.46Å; P242-R273 WeakPolarHBondContact O-CD 3.19Å; P242-R273 PolarHBondContact O-NH1 2.93Å
243D79.9Confident85.2Confident130 Ų13059 Ų5970%0.69530%0.3SS*.THydrogen-bonded Turntrans-75.6-17.6176.9-55.6-36.8000113.2S241 S245S241-D243 PolarHBondContact O-N 3Å; S241-D243 VanDerWaalsContact O-N 3.14Å; D243-S245 PolarHBondContact O-N 3.44Å
244T81.2Confident85.6Confident4 Ų456 Ų563%0.02530%0.297CS..  trans-70.4114.7-177.3-56.10000110.8L240 S241 P242 Q248 I249 R273 I298L240-T244 HydrophobicContact CD2-CG2 4.42Å; S241-T244 VanDerWaalsContact O-CB 3.31Å; S241-T244 WeakPolarHBondContact O-CB 3.47Å; S241-T244 PolarHBondContact O-N 3.31Å; S241-T244 PolarHBondContact O-OG1 3.32Å; P242-T244 VanDerWaalsContact C-N 3.3Å; P242-T244 PolarHBondContact O-N 3.46Å; T244-Q248 HydrophobicContact CG2-CB 4.22Å; T244-I249 HydrophobicContact CG2-CD1 4.07Å; T244-I249 HydrophobicContact CG2-CG1 3.75Å; T244-R273 VanDerWaalsContact C-NH1 3.34Å; T244-R273 PolarHBondContact O-NH1 3.47Å; T244-I298 HydrophobicContact CG2-CG2 3.79Å
245S84Confident85.7Confident29 Ų2956.9 Ų56.920%0.20332%0.316CS..  trans-75.5157.9177.965.80000112.3D243 E247 Q248 I249D243-S245 PolarHBondContact O-N 3.44Å; S245-E247 PolarHBondContact O-N 3.08Å; S245-Q248 PolarHBondContact O-N 3.34Å; S245-Q248 WeakPolarHBondContact OG-CG 3.46Å; S245-Q248 PolarHBondContact OG-N 3.37Å; S245-I249 WeakPolarHBondContact O-CG1 3.4Å; S245-I249 PolarHBondContact O-N 2.9Å
246E85.3Confident85.5Confident97 Ų9759.7 Ų59.745%0.45333%0.329SS..Hα-helixtrans-57.5-35172.6-178.1-179165.500111.7Q248 I249 K250 I262 L264E246-Q248 PolarHBondContact O-N 3.3Å; E246-I249 WeakPolarHBondContact O-CB 3.48Å; E246-I249 PolarHBondContact O-N 2.93Å; E246-K250 WeakPolarHBondContact O-CB 3.25Å; E246-K250 PolarHBondContact O-N 2.61Å; E246-I262 HydrophobicContact CG-CB 4.5Å; E246-I262 HydrophobicContact CG-CD1 4.2Å; E246-I262 HydrophobicContact CG-CG2 4.41Å; E246-L264 HydrophobicContact CB-CD1 4.11Å; E246-L264 HydrophobicContact CB-CD2 4.46Å; E246-L264 HydrophobicContact CG-CD1 3.89Å
247E87.3Confident85.4Confident154 Ų15458.2 Ų58.272%0.7233%0.327SS*.Hα-helixtrans-60-46.1177.9-63.5168.1179.900111.8S245 I249 K250 E251S245-E247 PolarHBondContact O-N 3.08Å; E247-I249 VanDerWaalsContact C-N 3.32Å; E247-I249 PolarHBondContact O-N 2.76Å; E247-K250 PolarHBondContact O-N 3.11Å; E247-E251 WeakPolarHBondContact O-CB 3.47Å; E247-E251 PolarHBondContact O-N 3.38Å
248Q86.7Confident85.4Confident82 Ų8264.7 Ų64.738%0.38336%0.358SS..Hα-helixtrans-64-39177.3-70.7174.9-6.400111.9T244 S245 E246 Y252 I298T244-Q248 HydrophobicContact CG2-CB 4.22Å; S245-Q248 PolarHBondContact O-N 3.34Å; S245-Q248 WeakPolarHBondContact OG-CG 3.46Å; S245-Q248 PolarHBondContact OG-N 3.37Å; E246-Q248 PolarHBondContact O-N 3.3Å; Q248-Y252 WeakPolarHBondContact O-CB 3.5Å; Q248-Y252 PolarHBondContact O-N 3.09Å; Q248-I298 HydrophobicContact CB-CG2 4.47Å
249I86.8Confident85.5Confident1 Ų165.9 Ų65.91%0.00536%0.362CS..Hα-helixtrans-64.1-48.9175.6-66.7164.2000108.7L240 T244 S245 E246 E247 E251 Y252 F253 I262 L264 I279L240-I249 HydrophobicContact CD1-CD1 3.77Å; L240-I249 HydrophobicContact CD1-CG1 4.38Å; L240-I249 HydrophobicContact CD2-CG1 4.45Å; T244-I249 HydrophobicContact CG2-CD1 4.07Å; T244-I249 HydrophobicContact CG2-CG1 3.75Å; S245-I249 WeakPolarHBondContact O-CG1 3.4Å; S245-I249 PolarHBondContact O-N 2.9Å; E246-I249 WeakPolarHBondContact O-CB 3.48Å; E246-I249 PolarHBondContact O-N 2.93Å; E247-I249 VanDerWaalsContact C-N 3.32Å; E247-I249 PolarHBondContact O-N 2.76Å; I249-E251 PolarHBondContact O-N 3.23Å; I249-Y252 PolarHBondContact O-N 2.87Å; I249-F253 HydrophobicContact CB-CD2 4.32Å; I249-F253 HydrophobicContact CG2-CD2 3.53Å; I249-F253 HydrophobicContact CG2-CE2 3.97Å; I249-F253 WeakPolarHBondContact O-CB 3.49Å; I249-F253 VanDerWaalsContact O-CD2 3.22Å; I249-F253 WeakPolarHBondContact O-CD2 3.47Å; I249-F253 PolarHBondContact O-N 2.94Å; I249-I262 HydrophobicContact CG2-CG2 4.29Å; I249-L264 HydrophobicContact CD1-CD2 3.85Å; I249-I279 HydrophobicContact CG2-CD1 3.77Å; I249-I279 HydrophobicContact CG2-CG1 4.43Å
250K88.6Confident85.6Confident124 Ų12469.9 Ų69.954%0.53937%0.368SS..Hα-helixtrans-63.2-40.1-179.5-171.4175.2-178.8176.30112.6E246 E247 G254 I259 I262E246-K250 WeakPolarHBondContact O-CB 3.25Å; E246-K250 PolarHBondContact O-N 2.61Å; E247-K250 PolarHBondContact O-N 3.11Å; K250-G254 WeakPolarHBondContact O-CA 3.33Å; K250-G254 PolarHBondContact O-N 2.96Å; K250-I259 HydrophobicContact CG-CD1 4.37Å; K250-I262 HydrophobicContact CB-CD1 3.73Å; K250-I262 HydrophobicContact CD-CD1 4.47Å; K250-I262 HydrophobicContact CG-CD1 4.06Å
251E88.9Confident85.6Confident158 Ų15873.8 Ų73.874%0.73839%0.389SS*.Hα-helixtrans-66.2-47.8177.5-174.8174.4-168.300111.3E247 I249 A255E247-E251 WeakPolarHBondContact O-CB 3.47Å; E247-E251 PolarHBondContact O-N 3.38Å; I249-E251 PolarHBondContact O-N 3.23Å; E251-A255 PolarHBondContact O-N 2.86Å
252Y88.4Confident85.8Confident79 Ų7973.4 Ų73.431%0.3139%0.385SS..Hα-helixtrans-67.7-49.3179.9-174.1-95.7000112.3Q248 I249 A255 F256 H296 I298Q248-Y252 WeakPolarHBondContact O-CB 3.5Å; Q248-Y252 PolarHBondContact O-N 3.09Å; I249-Y252 PolarHBondContact O-N 2.87Å; Y252-A255 WeakPolarHBondContact O-CB 3.24Å; Y252-A255 PolarHBondContact O-N 3.49Å; Y252-F256 AromaticContact CD1-CE2 3.98Å; Y252-F256 HydrophobicContact CD1-CE2 3.98Å; Y252-F256 AromaticContact CE1-CE2 3.61Å; Y252-F256 HydrophobicContact CE1-CE2 3.61Å; Y252-F256 HydrophobicContact CE1-CZ 4.13Å; Y252-F256 VanDerWaalsContact O-CD2 3.24Å; Y252-F256 WeakPolarHBondContact O-CD2 3.4Å; Y252-F256 WeakPolarHBondContact O-CE2 3.43Å; Y252-H296 HydrophobicContact CE1-CB 3.93Å; Y252-H296 AromaticContact CE1-ND1 3.58Å; Y252-H296 AromaticContact CZ-ND1 3.68Å; Y252-H296 PolarHBondContact OH-ND1 2.79Å; Y252-I298 HydrophobicContact CD1-CD1 3.57Å; Y252-I298 HydrophobicContact CD1-CG1 3.74Å; Y252-I298 HydrophobicContact CD2-CG1 4.45Å; Y252-I298 HydrophobicContact CE1-CD1 4.13Å; Y252-I298 HydrophobicContact CE1-CG1 4.07Å; Y252-I298 HydrophobicContact CG-CD1 4.08Å; Y252-I298 HydrophobicContact CG-CG1 3.95Å
253F86.9Confident86.2Confident0 Ų074.2 Ų74.20%038%0.382CS..Hα-helixtrans-77.6-27.7-176.8-75.7-66.8000113V237 I249 A255 F256 I259 I279 Y281 L290 I298 I305V237-F253 HydrophobicContact CB-CZ 4.31Å; V237-F253 HydrophobicContact CG1-CE2 3.98Å; V237-F253 HydrophobicContact CG1-CZ 3.67Å; V237-F253 HydrophobicContact CG2-CE1 4.18Å; V237-F253 HydrophobicContact CG2-CE2 4.06Å; V237-F253 HydrophobicContact CG2-CZ 3.65Å; I249-F253 HydrophobicContact CB-CD2 4.32Å; I249-F253 HydrophobicContact CG2-CD2 3.53Å; I249-F253 HydrophobicContact CG2-CE2 3.97Å; I249-F253 WeakPolarHBondContact O-CB 3.49Å; I249-F253 VanDerWaalsContact O-CD2 3.22Å; I249-F253 WeakPolarHBondContact O-CD2 3.47Å; I249-F253 PolarHBondContact O-N 2.94Å; F253-A255 PolarHBondContact O-N 3.38Å; F253-F256 PolarHBondContact O-N 3.16Å; F253-F256 VanDerWaalsContact O-N 3.08Å; F253-I259 HydrophobicContact CB-CD1 3.82Å; F253-I279 HydrophobicContact CB-CD1 3.73Å; F253-I279 HydrophobicContact CD1-CD1 3.91Å; F253-I279 HydrophobicContact CD2-CD1 3.22Å; F253-I279 HydrophobicContact CE1-CD1 4.32Å; F253-I279 HydrophobicContact CE2-CD1 3.66Å; F253-I279 HydrophobicContact CG-CD1 3.33Å; F253-I279 HydrophobicContact CZ-CD1 4.21Å; F253-Y281 VanDerWaalsContact CB-OH 3.31Å; F253-Y281 WeakPolarHBondContact CB-OH 3.44Å; F253-Y281 WeakPolarHBondContact CD1-OH 3.23Å; F253-Y281 PolarHBondContact O-OH 3.26Å; F253-L290 HydrophobicContact CD1-CD1 3.94Å; F253-L290 HydrophobicContact CD1-CD2 4.01Å; F253-L290 HydrophobicContact CE1-CD1 4.19Å; F253-L290 HydrophobicContact CE1-CD2 3.92Å; F253-I298 HydrophobicContact CD2-CD1 3.9Å; F253-I298 HydrophobicContact CE2-CD1 3.11Å; F253-I298 HydrophobicContact CZ-CD1 3.5Å; F253-I298 VanDerWaalsContact CZ-CD1 3.5Å; F253-I305 HydrophobicContact CE1-CD1 3.67Å; F253-I305 HydrophobicContact CZ-CD1 4.18Å
254G85.6Confident86.4Confident36 Ų3669.8 Ų69.837%0.37136%0.358SS..Hα-helixtrans-65.3-24173.500000112.8K250 F256 G257K250-G254 WeakPolarHBondContact O-CA 3.33Å; K250-G254 PolarHBondContact O-N 2.96Å; G254-F256 PolarHBondContact O-N 2.9Å; G254-G257 WeakPolarHBondContact CA-O 3.44Å; G254-G257 PolarHBondContact O-N 2.84Å
255A87.3Confident86.4Confident85 Ų8571.1 Ų71.170%0.70237%0.367SS*.THydrogen-bonded Turntrans-66.8-22.1172.800000113.3E251 Y252 F253E251-A255 PolarHBondContact O-N 2.86Å; Y252-A255 WeakPolarHBondContact O-CB 3.24Å; Y252-A255 PolarHBondContact O-N 3.49Å; F253-A255 PolarHBondContact O-N 3.38Å
256F84.5Confident86.2Confident60 Ų6074.5 Ų74.526%0.26338%0.381SS..THydrogen-bonded Turntrans-88.2-27.1179.4-65.1-90.4000112.7Y252 F253 G254 P286 L290 H296Y252-F256 AromaticContact CD1-CE2 3.98Å; Y252-F256 HydrophobicContact CD1-CE2 3.98Å; Y252-F256 AromaticContact CE1-CE2 3.61Å; Y252-F256 HydrophobicContact CE1-CE2 3.61Å; Y252-F256 HydrophobicContact CE1-CZ 4.13Å; Y252-F256 VanDerWaalsContact O-CD2 3.24Å; Y252-F256 WeakPolarHBondContact O-CD2 3.4Å; Y252-F256 WeakPolarHBondContact O-CE2 3.43Å; F253-F256 PolarHBondContact O-N 3.16Å; F253-F256 VanDerWaalsContact O-N 3.08Å; G254-F256 PolarHBondContact O-N 2.9Å; F256-P286 HydrophobicContact CB-CB 4.2Å; F256-L290 HydrophobicContact CB-CD2 4.49Å; F256-L290 HydrophobicContact CD1-CD2 3.86Å; F256-L290 HydrophobicContact CD1-CG 4.42Å; F256-L290 HydrophobicContact CD2-CD2 3.91Å; F256-L290 HydrophobicContact CE1-CD2 4Å; F256-L290 HydrophobicContact CE2-CD2 4.05Å; F256-L290 HydrophobicContact CG-CD2 3.81Å; F256-L290 HydrophobicContact CG-CG 4.34Å; F256-L290 HydrophobicContact CZ-CD2 4.09Å; F256-H296 AromaticContact CZ-CE1 3.79Å
257G86.2Confident85.9Confident18 Ų1872.5 Ų72.519%0.18637%0.373CS..SBendtrans173.6172.8178.700000112.8G254 I259G254-G257 WeakPolarHBondContact CA-O 3.44Å; G254-G257 PolarHBondContact O-N 2.84Å; G257-I259 PolarHBondContact O-N 3.37Å
258E88.7Confident85.2Confident137 Ų13771.4 Ų71.464%0.6438%0.377SS*.  trans-71.9121.9-179.6-175.3177.5-176.100111.3Y281 T282E258-Y281 WeakPolarHBondContact O-CA 3.31Å; E258-Y281 WeakPolarHBondContact O-CD1 3.25Å; E258-T282 HydrophobicContact CB-CG2 4.4Å; E258-T282 HydrophobicContact CG-CG2 4.05Å; E258-T282 PolarHBondContact O-N 3.4Å; E258-T282 VanDerWaalsContact O-N 3.09Å; E258-T282 PolarHBondContact O-OG1 3.06Å
259I89.2Confident84.6Confident31 Ų3176.4 Ų76.416%0.15940%0.398CS..EExtended strand (participates in β ladder)trans-90.3123-179.3-60.3169.9000109.1K250 F253 G257 I262 I279 Y281K250-I259 HydrophobicContact CG-CD1 4.37Å; F253-I259 HydrophobicContact CB-CD1 3.82Å; G257-I259 PolarHBondContact O-N 3.37Å; I259-I262 HydrophobicContact CD1-CD1 4.17Å; I259-I262 HydrophobicContact CG2-CD1 4.12Å; I259-I262 HydrophobicContact CG2-CG1 3.54Å; I259-I279 HydrophobicContact CB-CG2 4.42Å; I259-I279 HydrophobicContact CD1-CG2 4.12Å; I259-I279 HydrophobicContact CG1-CG2 3.92Å; I259-I279 HydrophobicContact CG2-CG2 3.7Å; I259-Y281 HydrophobicContact CD1-CE1 4.49Å; I259-Y281 HydrophobicContact CG1-CD1 4.01Å; I259-Y281 HydrophobicContact CG1-CE1 3.6Å
260E87.1Confident84Confident132 Ų13280 Ų8062%0.61742%0.42SS*.EExtended strand (participates in β ladder)trans-79.4-43.8174.1-172.5-175.9175.300111.4T280 T282E260-T280 WeakPolarHBondContact CA-O 3.21Å; E260-T280 HydrophobicContact CB-CG2 4.36Å; E260-T280 WeakPolarHBondContact CB-O 3.48Å; E260-T280 PolarHBondContact N-O 2.9Å; E260-T282 HydrophobicContact CB-CG2 4.17Å
261N85.1Confident83.1Confident96 Ų9680.4 Ų80.451%0.51343%0.428SS..EExtended strand (participates in β ladder)trans-154.7144.4-176.6-166.96.7000112.5T280N261-T280 PolarHBondContact N-O 3.24Å; N261-T280 VanDerWaalsContact N-O 3.14Å; N261-T280 PolarHBondContact O-N 3.24Å
262I86.1Confident82.3Confident17 Ų1778.9 Ų78.99%0.08742%0.421CS..EExtended strand (participates in β ladder)trans-122119.6173.7-49.8177.8000108.5E246 I249 K250 I259 L264 F278 I279E246-I262 HydrophobicContact CG-CB 4.5Å; E246-I262 HydrophobicContact CG-CD1 4.2Å; E246-I262 HydrophobicContact CG-CG2 4.41Å; I249-I262 HydrophobicContact CG2-CG2 4.29Å; K250-I262 HydrophobicContact CB-CD1 3.73Å; K250-I262 HydrophobicContact CD-CD1 4.47Å; K250-I262 HydrophobicContact CG-CD1 4.06Å; I259-I262 HydrophobicContact CD1-CD1 4.17Å; I259-I262 HydrophobicContact CG2-CD1 4.12Å; I259-I262 HydrophobicContact CG2-CG1 3.54Å; I262-L264 HydrophobicContact CB-CD1 4.28Å; I262-L264 HydrophobicContact CG2-CD1 3.44Å; I262-L264 VanDerWaalsContact CG2-CD1 3.44Å; I262-L264 HydrophobicContact CG2-CG 4.37Å; I262-F278 CarbonylContact C-O 3.55Å; I262-F278 WeakPolarHBondContact CA-O 3.36Å; I262-I279 HydrophobicContact CG2-CG1 4.32Å
263E85.4Confident81.5Confident89 Ų8979.3 Ų79.342%0.41642%0.422SS..EExtended strand (participates in β ladder)trans-107.6117.5177-169.5-175.2165.900108.9K234 P265 C277 F278K234-E263 IonicContact NZ-OE2 2.86Å; K234-E263 PolarHBondContact NZ-OE2 2.79Å; E263-P265 HydrophobicContact CG-CG 4.24Å; E263-P265 VanDerWaalsContact O-CD 3.32Å; E263-P265 WeakPolarHBondContact O-CD 3.38Å; E263-C277 CarbonylContact O-C 3.53Å; E263-C277 VanDerWaalsContact O-CA 3.32Å; E263-C277 WeakPolarHBondContact O-CA 3.35Å; E263-C277 WeakPolarHBondContact O-CB 3.12Å; E263-F278 HydrophobicContact CB-CB 4.25Å; E263-F278 PolarHBondContact N-O 3.25Å; E263-F278 PolarHBondContact O-N 3.22Å
264L85.6Confident80.8Confident37 Ų3786.3 Ų86.319%0.19445%0.448CS..  trans-113.588.7175-65.890.8000109.9E246 I249 I262 M266 C277E246-L264 HydrophobicContact CB-CD1 4.11Å; E246-L264 HydrophobicContact CB-CD2 4.46Å; E246-L264 HydrophobicContact CG-CD1 3.89Å; I249-L264 HydrophobicContact CD1-CD2 3.85Å; I262-L264 HydrophobicContact CB-CD1 4.28Å; I262-L264 HydrophobicContact CG2-CD1 3.44Å; I262-L264 VanDerWaalsContact CG2-CD1 3.44Å; I262-L264 HydrophobicContact CG2-CG 4.37Å; L264-M266 PolarHBondContact O-N 3.45Å; L264-M266 VanDerWaalsContact O-N 3.13Å; L264-C277 HydrophobicContact CD2-CB 4.49Å; L264-C277 HydrophobicContact CG-CB 3.86Å
265P80.4Confident80.5Confident31 Ų3185.5 Ų85.520%0.20144%0.44CS..PPolyproline II helixtrans-63.4117176.8-25.838.4000111.6E263 R274 F276 F278E263-P265 HydrophobicContact CG-CG 4.24Å; E263-P265 VanDerWaalsContact O-CD 3.32Å; E263-P265 WeakPolarHBondContact O-CD 3.38Å; P265-R274 WeakPolarHBondContact O-CG 3.42Å; P265-R274 PolarHBondContact O-N 2.86Å; P265-F276 HydrophobicContact CB-CE2 4.06Å; P265-F276 HydrophobicContact CB-CZ 4.24Å; P265-F276 HydrophobicContact CG-CE2 3.79Å; P265-F276 HydrophobicContact CG-CZ 4.44Å; P265-F278 HydrophobicContact CG-CD2 4.33Å; P265-F278 HydrophobicContact CG-CE2 4.28Å
266M81.1Confident80.5Confident100 Ų10083.2 Ų83.249%0.49341%0.414SS..BIsolated β-bridgetrans-86148.7170.5-58.9-179.4-173.200109.7L264 T268L264-M266 PolarHBondContact O-N 3.45Å; L264-M266 VanDerWaalsContact O-N 3.13Å; M266-T268 PolarHBondContact O-N 2.84Å
267D77Confident80.7Confident56 Ų5680.3 Ų80.330%0.29940%0.401SS..PPolyproline II helixtrans-72121172.4-163.1-31.7000108.8K269 N271 E272 R274D267-K269 PolarHBondContact O-N 2.8Å; D267-K269 VanDerWaalsContact O-N 3.13Å; D267-K269 PolarHBondContact OD1-N 3.14Å; D267-N271 VanDerWaalsContact O-CA 3.25Å; D267-N271 WeakPolarHBondContact O-CA 3.39Å; D267-N271 PolarHBondContact O-N 2.77Å; D267-E272 PolarHBondContact N-O 2.86Å; D267-R274 HydrophobicContact CB-CG 3.94Å
268T73.4Confident80.8Confident130 Ų13081.3 Ų81.380%0.79840%0.4SS*.THydrogen-bonded Turntrans-66.6-13.2-178.455.20000113.1M266M266-T268 PolarHBondContact O-N 2.84Å
269K73.9Confident80.8Confident188 Ų18874.8 Ų74.882%0.81737%0.37SS*.THydrogen-bonded Turntrans-95.3-37.4-177.7-63.7-176.9179.8-176.50113.4D267D267-K269 PolarHBondContact O-N 2.8Å; D267-K269 VanDerWaalsContact O-N 3.13Å; D267-K269 PolarHBondContact OD1-N 3.14Å
270T73.6Confident80.8Confident77 Ų7774.6 Ų74.647%0.47237%0.371SS..THydrogen-bonded Turntrans-110.7-6.6-177.360.70000112.9E272T270-E272 PolarHBondContact O-N 3.46Å; T270-E272 VanDerWaalsContact O-N 3.09Å; T270-E272 WeakPolarHBondContact OG1-CB 3.27Å; T270-E272 PolarHBondContact OG1-OE2 3.35Å
271N70Confident80.9Confident131 Ų13168.3 Ų68.370%0.70134%0.341SS*.  trans53.318.5-169-85.5-47.5000113.5D267D267-N271 VanDerWaalsContact O-CA 3.25Å; D267-N271 WeakPolarHBondContact O-CA 3.39Å; D267-N271 PolarHBondContact O-N 2.77Å
272E72.4Confident80.9Confident127 Ų12765.6 Ų65.659%0.59333%0.328SS*.  trans-89.2147.2176.5-66.1172.5148.700109.9D267 T270 R274D267-E272 PolarHBondContact N-O 2.86Å; T270-E272 PolarHBondContact O-N 3.46Å; T270-E272 VanDerWaalsContact O-N 3.09Å; T270-E272 WeakPolarHBondContact OG1-CB 3.27Å; T270-E272 PolarHBondContact OG1-OE2 3.35Å; E272-R274 PolarHBondContact O-N 2.88Å
273R72.8Confident80.8Confident88 Ų8869.1 Ų69.133%0.33235%0.347SS..BIsolated β-bridgetrans-66.1131.2174.3-63.2-177.9-177.9147.2-9108.3P242 T244 G275P242-R273 WeakPolarHBondContact O-CD 3.19Å; P242-R273 PolarHBondContact O-NH1 2.93Å; T244-R273 VanDerWaalsContact C-NH1 3.34Å; T244-R273 PolarHBondContact O-NH1 3.47Å; R273-G275 PolarHBondContact O-N 3.26Å
274R71.4Confident80.7Confident146 Ų14670.3 Ų70.355%0.55135%0.352SS*.  trans-70.312.7-177.8-64.4-178.665.8-169.8-3.8114.3P265 D267 E272 F276P265-R274 WeakPolarHBondContact O-CG 3.42Å; P265-R274 PolarHBondContact O-N 2.86Å; D267-R274 HydrophobicContact CB-CG 3.94Å; E272-R274 PolarHBondContact O-N 2.88Å; R274-F276 HydrophobicContact CB-CD1 3.69Å; R274-F276 HydrophobicContact CB-CE1 3.29Å; R274-F276 HydrophobicContact CB-CZ 3.95Å; R274-F276 HydrophobicContact CG-CE1 4.23Å; R274-F276 WeakPolarHBondContact O-CD1 3.04Å; R274-F276 PolarHBondContact O-N 2.83Å
275G80.3Confident80.6Confident19 Ų1974.7 Ų74.720%0.19637%0.372CS..SBendtrans64.820.4-17900000114G238 G239 L240 R273G238-G275 CarbonylContact C-O 3.46Å; G239-G275 PolarHBondContact N-O 3.3Å; L240-G275 PolarHBondContact N-O 3.15Å; L240-G275 WeakPolarHBondContact O-CA 3.41Å; R273-G275 PolarHBondContact O-N 3.26Å
276F86.5Confident80.8Confident37 Ų3773.4 Ų73.416%0.16236%0.364CS..EExtended strand (participates in β ladder)trans-144.6152.6173.567-97.6000111.7F236 V237 P265 R274 F278F236-F276 HydrophobicContact CD2-CD2 4.35Å; F236-F276 HydrophobicContact CE2-CB 3.59Å; F236-F276 HydrophobicContact CE2-CD1 4.44Å; F236-F276 AromaticContact CE2-CD2 3.7Å; F236-F276 HydrophobicContact CE2-CD2 3.7Å; F236-F276 AromaticContact CE2-CG 3.67Å; F236-F276 HydrophobicContact CE2-CG 3.67Å; F236-F276 HydrophobicContact CZ-CB 3.72Å; F236-F276 HydrophobicContact CZ-CG 4.14Å; V237-F276 CarbonylContact O-C 3.5Å; V237-F276 WeakPolarHBondContact O-CA 3.24Å; V237-F276 VanDerWaalsContact O-CB 3.32Å; V237-F276 WeakPolarHBondContact O-CB 3.34Å; P265-F276 HydrophobicContact CB-CE2 4.06Å; P265-F276 HydrophobicContact CB-CZ 4.24Å; P265-F276 HydrophobicContact CG-CE2 3.79Å; P265-F276 HydrophobicContact CG-CZ 4.44Å; R274-F276 HydrophobicContact CB-CD1 3.69Å; R274-F276 HydrophobicContact CB-CE1 3.29Å; R274-F276 HydrophobicContact CB-CZ 3.95Å; R274-F276 HydrophobicContact CG-CE1 4.23Å; R274-F276 WeakPolarHBondContact O-CD1 3.04Å; R274-F276 PolarHBondContact O-N 2.83Å; F276-F278 HydrophobicContact CD2-CD2 4.49Å; F276-F278 HydrophobicContact CD2-CE2 4Å; F276-F278 HydrophobicContact CD2-CZ 4.49Å; F276-F278 HydrophobicContact CE2-CD2 4.47Å; F276-F278 AromaticContact CE2-CE2 3.71Å; F276-F278 HydrophobicContact CE2-CE2 3.71Å; F276-F278 HydrophobicContact CE2-CZ 4.31Å
277C87.7Confident80.9Confident0 Ų068.7 Ų68.70%034%0.34CS..EExtended strand (participates in β ladder)trans-132.5163.8170.476.20000110.7V237 L240 E263 L264V237-C277 PolarHBondContact N-O 3.39Å; V237-C277 PolarHBondContact O-N 3.24Å; L240-C277 HydrophobicContact CD1-CB 3.87Å; L240-C277 WeakPolarHBondContact CD1-SG 3.46Å; E263-C277 CarbonylContact O-C 3.53Å; E263-C277 VanDerWaalsContact O-CA 3.32Å; E263-C277 WeakPolarHBondContact O-CA 3.35Å; E263-C277 WeakPolarHBondContact O-CB 3.12Å; L264-C277 HydrophobicContact CD2-CB 4.49Å; L264-C277 HydrophobicContact CG-CB 3.86Å
278F89.4Confident81.2Confident38 Ų3872.8 Ų72.817%0.16736%0.356CS..EExtended strand (participates in β ladder)trans-116.2136166.2-59.5-89.3000110.2K234 V235 F236 I262 E263 P265 F276 A308K234-F278 HydrophobicContact CD-CB 4.25Å; K234-F278 HydrophobicContact CD-CD1 4.42Å; K234-F278 VanDerWaalsContact CE-CG 3.46Å; K234-F278 HydrophobicContact CG-CB 4.1Å; K234-F278 HydrophobicContact CG-CD1 4.35Å; V235-F278 CarbonylContact O-C 3.59Å; V235-F278 VanDerWaalsContact O-CA 3.23Å; V235-F278 WeakPolarHBondContact O-CA 3.42Å; F236-F278 HydrophobicContact CB-CD1 4.13Å; F236-F278 HydrophobicContact CB-CE1 4.04Å; F236-F278 HydrophobicContact CD2-CD1 4.13Å; F236-F278 AromaticContact CD2-CE1 3.58Å; F236-F278 HydrophobicContact CD2-CE1 3.58Å; F236-F278 AromaticContact CD2-CZ 3.85Å; F236-F278 HydrophobicContact CD2-CZ 3.85Å; F236-F278 HydrophobicContact CE2-CZ 4.44Å; F236-F278 HydrophobicContact CG-CE1 4.3Å; I262-F278 CarbonylContact C-O 3.55Å; I262-F278 WeakPolarHBondContact CA-O 3.36Å; E263-F278 HydrophobicContact CB-CB 4.25Å; E263-F278 PolarHBondContact N-O 3.25Å; E263-F278 PolarHBondContact O-N 3.22Å; P265-F278 HydrophobicContact CG-CD2 4.33Å; P265-F278 HydrophobicContact CG-CE2 4.28Å; F276-F278 HydrophobicContact CD2-CD2 4.49Å; F276-F278 HydrophobicContact CD2-CE2 4Å; F276-F278 HydrophobicContact CD2-CZ 4.49Å; F276-F278 HydrophobicContact CE2-CD2 4.47Å; F276-F278 AromaticContact CE2-CE2 3.71Å; F276-F278 HydrophobicContact CE2-CE2 3.71Å; F276-F278 HydrophobicContact CE2-CZ 4.31Å; F278-A308 HydrophobicContact CD1-CB 3.95Å; F278-A308 HydrophobicContact CE1-CB 4.17Å
279I89.1Confident81.7Confident0 Ų071.5 Ų71.50%034%0.339CS..EExtended strand (participates in β ladder)trans-120.2122.2179.5-55.5178.4000107.6K234 V235 V237 I249 F253 I259 I262 Y281K234-I279 CarbonylContact C-O 3.56Å; K234-I279 VanDerWaalsContact CA-O 3.27Å; K234-I279 WeakPolarHBondContact CA-O 3.22Å; V235-I279 PolarHBondContact N-O 3.44Å; V235-I279 PolarHBondContact O-N 2.78Å; V237-I279 HydrophobicContact CG2-CD1 3.91Å; V237-I279 HydrophobicContact CG2-CG1 4.31Å; I249-I279 HydrophobicContact CG2-CD1 3.77Å; I249-I279 HydrophobicContact CG2-CG1 4.43Å; F253-I279 HydrophobicContact CB-CD1 3.73Å; F253-I279 HydrophobicContact CD1-CD1 3.91Å; F253-I279 HydrophobicContact CD2-CD1 3.22Å; F253-I279 HydrophobicContact CE1-CD1 4.32Å; F253-I279 HydrophobicContact CE2-CD1 3.66Å; F253-I279 HydrophobicContact CG-CD1 3.33Å; F253-I279 HydrophobicContact CZ-CD1 4.21Å; I259-I279 HydrophobicContact CB-CG2 4.42Å; I259-I279 HydrophobicContact CD1-CG2 4.12Å; I259-I279 HydrophobicContact CG1-CG2 3.92Å; I259-I279 HydrophobicContact CG2-CG2 3.7Å; I262-I279 HydrophobicContact CG2-CG1 4.32Å; I279-Y281 HydrophobicContact CB-CE2 4.17Å; I279-Y281 HydrophobicContact CG2-CD2 4.08Å; I279-Y281 HydrophobicContact CG2-CE1 4.32Å; I279-Y281 HydrophobicContact CG2-CE2 3.58Å
280T87.9Confident82.2Confident28 Ų2862.5 Ų62.517%0.17230%0.3CS..EExtended strand (participates in β ladder)trans-99.3121.4171.8-53.70000108.4K233 E260 N261K233-T280 HydrophobicContact CB-CG2 4.43Å; K233-T280 CarbonylContact O-C 3.42Å; K233-T280 WeakPolarHBondContact O-CA 3.33Å; E260-T280 WeakPolarHBondContact CA-O 3.21Å; E260-T280 HydrophobicContact CB-CG2 4.36Å; E260-T280 WeakPolarHBondContact CB-O 3.48Å; E260-T280 PolarHBondContact N-O 2.9Å; N261-T280 PolarHBondContact N-O 3.24Å; N261-T280 VanDerWaalsContact N-O 3.14Å; N261-T280 PolarHBondContact O-N 3.24Å
281Y89.2Confident82.6Confident0 Ų061.3 Ų61.30%029%0.29CS..EExtended strand (participates in β ladder)trans-94.5155.4173.8-69.3-86.5000111.4K233 V235 F253 E258 I259 I279 D283 P286 V287 L290K233-Y281 WeakPolarHBondContact CB-O 3.47Å; K233-Y281 PolarHBondContact O-N 3.48Å; V235-Y281 HydrophobicContact CG2-CD2 4.08Å; V235-Y281 HydrophobicContact CG2-CE2 3.92Å; F253-Y281 VanDerWaalsContact CB-OH 3.31Å; F253-Y281 WeakPolarHBondContact CB-OH 3.44Å; F253-Y281 WeakPolarHBondContact CD1-OH 3.23Å; F253-Y281 PolarHBondContact O-OH 3.26Å; E258-Y281 WeakPolarHBondContact O-CA 3.31Å; E258-Y281 WeakPolarHBondContact O-CD1 3.25Å; I259-Y281 HydrophobicContact CD1-CE1 4.49Å; I259-Y281 HydrophobicContact CG1-CD1 4.01Å; I259-Y281 HydrophobicContact CG1-CE1 3.6Å; I279-Y281 HydrophobicContact CB-CE2 4.17Å; I279-Y281 HydrophobicContact CG2-CD2 4.08Å; I279-Y281 HydrophobicContact CG2-CE1 4.32Å; I279-Y281 HydrophobicContact CG2-CE2 3.58Å; Y281-D283 VanDerWaalsContact C-N 3.34Å; Y281-D283 VanDerWaalsContact CB-O 3.25Å; Y281-D283 WeakPolarHBondContact CB-O 3.32Å; Y281-P286 HydrophobicContact CD1-CB 3.63Å; Y281-P286 HydrophobicContact CD1-CG 3.4Å; Y281-P286 HydrophobicContact CD2-CB 4.31Å; Y281-P286 HydrophobicContact CD2-CG 4.16Å; Y281-P286 HydrophobicContact CE1-CB 3.67Å; Y281-P286 HydrophobicContact CE1-CG 4.01Å; Y281-P286 HydrophobicContact CE2-CB 4.35Å; Y281-P286 HydrophobicContact CG-CB 3.95Å; Y281-P286 HydrophobicContact CG-CG 3.48Å; Y281-P286 VanDerWaalsContact CG-CG 3.48Å; Y281-V287 HydrophobicContact CD2-CG2 3.82Å; Y281-V287 HydrophobicContact CG-CG2 4.49Å; Y281-L290 HydrophobicContact CE2-CD1 3.82Å; Y281-L290 VanDerWaalsContact OH-CD1 3.25Å; Y281-L290 WeakPolarHBondContact OH-CD1 2.95Å
282T85.8Confident83.2Confident38 Ų3861.9 Ų61.923%0.23329%0.289CS..SBendtrans-65.4-42.816952.50000110.7K233 E258 E260K233-T282 PolarHBondContact NZ-O 3.45Å; E258-T282 HydrophobicContact CB-CG2 4.4Å; E258-T282 HydrophobicContact CG-CG2 4.05Å; E258-T282 PolarHBondContact O-N 3.4Å; E258-T282 VanDerWaalsContact O-N 3.09Å; E258-T282 PolarHBondContact O-OG1 3.06Å; E260-T282 HydrophobicContact CB-CG2 4.17Å
283D84.1Confident83.8Confident92 Ų9258.9 Ų58.949%0.49228%0.282SS..SBendtrans-108.2158.4-175.9-63.6-41.7000113.6Y281 P286Y281-D283 VanDerWaalsContact C-N 3.34Å; Y281-D283 VanDerWaalsContact CB-O 3.25Å; Y281-D283 WeakPolarHBondContact CB-O 3.32Å; D283-P286 WeakPolarHBondContact O-CD 3.31Å; D283-P286 WeakPolarHBondContact O-CG 3.49Å
284E82.8Confident84.1Confident113 Ų11362.2 Ų62.253%0.52829%0.294SS..SBendtrans-87.6-17.417760.2175.5-166.700114.1P231 V287 K288P231-E284 HydrophobicContact CG-CB 4.03Å; P231-E284 VanDerWaalsContact CG-OE2 3.32Å; P231-E284 WeakPolarHBondContact CG-OE2 3.11Å; E284-V287 WeakPolarHBondContact O-CB 3.46Å; E284-V287 PolarHBondContact O-N 2.96Å; E284-K288 PolarHBondContact O-N 3.49Å; E284-K288 VanDerWaalsContact O-N 3.15Å
285E83.8Confident84.7Confident129 Ų12961.7 Ų61.760%0.60329%0.293SS*.Hα-helixtrans-57.4-47.9177.1-61.5-162.217100114.5V287 K288 K289E285-V287 VanDerWaalsContact C-N 3.27Å; E285-V287 PolarHBondContact O-N 2.79Å; E285-K288 PolarHBondContact O-N 2.68Å; E285-K289 PolarHBondContact O-N 2.8Å; E285-K289 VanDerWaalsContact O-N 3.17Å
286P84.1Confident84.9Confident5 Ų561.5 Ų61.53%0.03229%0.287CS..Hα-helixtrans-59.1-40.8176.918.8-31.7000111.7F256 Y281 D283 K288 K289 L290F256-P286 HydrophobicContact CB-CB 4.2Å; Y281-P286 HydrophobicContact CD1-CB 3.63Å; Y281-P286 HydrophobicContact CD1-CG 3.4Å; Y281-P286 HydrophobicContact CD2-CB 4.31Å; Y281-P286 HydrophobicContact CD2-CG 4.16Å; Y281-P286 HydrophobicContact CE1-CB 3.67Å; Y281-P286 HydrophobicContact CE1-CG 4.01Å; Y281-P286 HydrophobicContact CE2-CB 4.35Å; Y281-P286 HydrophobicContact CG-CB 3.95Å; Y281-P286 HydrophobicContact CG-CG 3.48Å; Y281-P286 VanDerWaalsContact CG-CG 3.48Å; D283-P286 WeakPolarHBondContact O-CD 3.31Å; D283-P286 WeakPolarHBondContact O-CG 3.49Å; P286-K288 VanDerWaalsContact C-N 3.32Å; P286-K288 PolarHBondContact O-N 2.86Å; P286-K289 PolarHBondContact O-N 2.83Å; P286-L290 WeakPolarHBondContact O-CB 3.1Å; P286-L290 WeakPolarHBondContact O-CG 3.46Å; P286-L290 PolarHBondContact O-N 2.7Å
287V83.6Confident84.7Confident0 Ų066.3 Ų66.30%031%0.31CS..Hα-helixtrans-59.7-44.4178.9179.60000111.1V235 Y281 E284 E285 L290 L291V235-V287 HydrophobicContact CG2-CB 4.01Å; V235-V287 HydrophobicContact CG2-CG1 3.74Å; V235-V287 HydrophobicContact CG2-CG2 3.54Å; Y281-V287 HydrophobicContact CD2-CG2 3.82Å; Y281-V287 HydrophobicContact CG-CG2 4.49Å; E284-V287 WeakPolarHBondContact O-CB 3.46Å; E284-V287 PolarHBondContact O-N 2.96Å; E285-V287 VanDerWaalsContact C-N 3.27Å; E285-V287 PolarHBondContact O-N 2.79Å; V287-L290 PolarHBondContact O-N 3.32Å; V287-L291 HydrophobicContact CG1-CD1 3.89Å; V287-L291 HydrophobicContact CG1-CG 4.41Å; V287-L291 VanDerWaalsContact O-CG 3.23Å; V287-L291 WeakPolarHBondContact O-CG 3.32Å; V287-L291 PolarHBondContact O-N 2.79Å
288K83.1Confident84.3Confident142 Ų14266.6 Ų66.662%0.61731%0.312SS*.Hα-helixtrans-63.6-45.8179.8-170.6179.2176.7-174.30111.9E284 E285 P286 L290 L291 E292E284-K288 PolarHBondContact O-N 3.49Å; E284-K288 VanDerWaalsContact O-N 3.15Å; E285-K288 PolarHBondContact O-N 2.68Å; P286-K288 VanDerWaalsContact C-N 3.32Å; P286-K288 PolarHBondContact O-N 2.86Å; K288-L290 VanDerWaalsContact C-N 3.32Å; K288-L290 PolarHBondContact O-N 2.85Å; K288-L291 PolarHBondContact O-N 3.02Å; K288-E292 PolarHBondContact O-N 3.09Å; K288-E292 VanDerWaalsContact O-N 3.16Å
289K83.7Confident83.6Confident103 Ų10367.6 Ų67.645%0.44833%0.333SS..Hα-helixtrans-61.6-40177.4-69.2174-176.1166.10112E285 P286 L291 E292E285-K289 PolarHBondContact O-N 2.8Å; E285-K289 VanDerWaalsContact O-N 3.17Å; P286-K289 PolarHBondContact O-N 2.83Å; K289-L291 VanDerWaalsContact C-N 3.33Å; K289-L291 PolarHBondContact O-N 2.76Å; K289-E292 PolarHBondContact O-N 3.49Å
290L83.9Confident82.8Confident0 Ų072.3 Ų72.30%037%0.366CS..Hα-helixtrans-69.6-29.2176.8-69.1172.5000113F253 F256 Y281 P286 V287 K288 S293 I305F253-L290 HydrophobicContact CD1-CD1 3.94Å; F253-L290 HydrophobicContact CD1-CD2 4.01Å; F253-L290 HydrophobicContact CE1-CD1 4.19Å; F253-L290 HydrophobicContact CE1-CD2 3.92Å; F256-L290 HydrophobicContact CB-CD2 4.49Å; F256-L290 HydrophobicContact CD1-CD2 3.86Å; F256-L290 HydrophobicContact CD1-CG 4.42Å; F256-L290 HydrophobicContact CD2-CD2 3.91Å; F256-L290 HydrophobicContact CE1-CD2 4Å; F256-L290 HydrophobicContact CE2-CD2 4.05Å; F256-L290 HydrophobicContact CG-CD2 3.81Å; F256-L290 HydrophobicContact CG-CG 4.34Å; F256-L290 HydrophobicContact CZ-CD2 4.09Å; Y281-L290 HydrophobicContact CE2-CD1 3.82Å; Y281-L290 VanDerWaalsContact OH-CD1 3.25Å; Y281-L290 WeakPolarHBondContact OH-CD1 2.95Å; P286-L290 WeakPolarHBondContact O-CB 3.1Å; P286-L290 WeakPolarHBondContact O-CG 3.46Å; P286-L290 PolarHBondContact O-N 2.7Å; V287-L290 PolarHBondContact O-N 3.32Å; K288-L290 VanDerWaalsContact C-N 3.32Å; K288-L290 PolarHBondContact O-N 2.85Å; L290-S293 CarbonylContact O-C 3.58Å; L290-S293 VanDerWaalsContact O-C 3.3Å; L290-S293 PolarHBondContact O-N 3.3Å; L290-I305 HydrophobicContact CB-CD1 3.79Å; L290-I305 HydrophobicContact CB-CG2 4.15Å; L290-I305 HydrophobicContact CD1-CD1 4.39Å; L290-I305 HydrophobicContact CD2-CD1 3.65Å; L290-I305 HydrophobicContact CG-CD1 4.14Å
291L83.1Confident82.1Confident51 Ų5171.5 Ų71.527%0.26736%0.364SS..Hα-helixtrans-77.4-24.7176.1-71170.7000113.2V287 K288 K289 S293 I305 V307V287-L291 HydrophobicContact CG1-CD1 3.89Å; V287-L291 HydrophobicContact CG1-CG 4.41Å; V287-L291 VanDerWaalsContact O-CG 3.23Å; V287-L291 WeakPolarHBondContact O-CG 3.32Å; V287-L291 PolarHBondContact O-N 2.79Å; K288-L291 PolarHBondContact O-N 3.02Å; K289-L291 VanDerWaalsContact C-N 3.33Å; K289-L291 PolarHBondContact O-N 2.76Å; L291-S293 VanDerWaalsContact C-N 3.31Å; L291-I305 HydrophobicContact CD2-CG2 4.41Å; L291-V307 HydrophobicContact CD1-CG2 3.78Å; L291-V307 HydrophobicContact CD2-CG2 3.77Å; L291-V307 HydrophobicContact CG-CG2 4.46Å
292E83.4Confident81.9Confident143 Ų14377.9 Ų77.967%0.66839%0.391SS*.Hα-helixtrans-64.5-39.7170.8-70.5173.6-172.200110.7K288 K289K288-E292 PolarHBondContact O-N 3.09Å; K288-E292 VanDerWaalsContact O-N 3.16Å; K289-E292 PolarHBondContact O-N 3.49Å
293S83.4Confident82Confident64 Ų6476.1 Ų76.145%0.44838%0.38SS..SBendtrans-104.681.8176.4-64.30000111.3L290 L291 Y295 H296L290-S293 CarbonylContact O-C 3.58Å; L290-S293 VanDerWaalsContact O-C 3.3Å; L290-S293 PolarHBondContact O-N 3.3Å; L291-S293 VanDerWaalsContact C-N 3.31Å; S293-Y295 PolarHBondContact O-N 3.22Å; S293-H296 WeakPolarHBondContact CB-NE2 3.47Å; S293-H296 PolarHBondContact O-CD2 2.85Å; S293-H296 PolarHBondContact O-NE2 3.46Å
294R78.9Confident82.2Confident158 Ų15874.1 Ų74.160%0.59637%0.368SS*.  trans-57.9-19.7-176.3-66.4-166.5-175.5-146.73.3115.8E304 I305R294-E304 CarbonylContact O-C 3.59Å; R294-E304 WeakPolarHBondContact O-CA 3.5Å; R294-I305 PolarHBondContact O-N 3.5Å
295Y85.5Confident82.4Confident135 Ų13568.9 Ų68.953%0.52934%0.343SS..EExtended strand (participates in β ladder)trans-122.7127.4-179.8-61.9-75000110.6S293 K302 C303 E304S293-Y295 PolarHBondContact O-N 3.22Å; Y295-K302 HydrophobicContact CD1-CD 4.47Å; Y295-K302 VanDerWaalsContact CD1-CE 3.45Å; Y295-C303 WeakPolarHBondContact CA-O 3.48Å; Y295-E304 HydrophobicContact CD1-CB 4.21Å; Y295-E304 HydrophobicContact CD1-CG 4.31Å; Y295-E304 HydrophobicContact CE1-CB 4.11Å; Y295-E304 HydrophobicContact CE1-CG 3.92Å
296H83.9Confident82.5Confident15 Ų1567 Ų677%0.06933%0.333CS..EExtended strand (participates in β ladder)trans-124.1163.2174.5-70.1-100.8000109.5Y252 F256 S293 K302 C303 I305Y252-H296 HydrophobicContact CE1-CB 3.93Å; Y252-H296 AromaticContact CE1-ND1 3.58Å; Y252-H296 AromaticContact CZ-ND1 3.68Å; Y252-H296 PolarHBondContact OH-ND1 2.79Å; F256-H296 AromaticContact CZ-CE1 3.79Å; S293-H296 WeakPolarHBondContact CB-NE2 3.47Å; S293-H296 PolarHBondContact O-CD2 2.85Å; S293-H296 PolarHBondContact O-NE2 3.46Å; H296-K302 CarbonylContact O-C 3.59Å; H296-C303 VanDerWaalsContact C-SG 3.6Å; H296-C303 VanDerWaalsContact CB-SG 3.53Å; H296-C303 PolarHBondContact N-O 3Å; H296-C303 PolarHBondContact O-N 3.41Å; H296-C303 PolarHBondContact O-SG 3.13Å; H296-C303 VanDerWaalsContact O-SG 3.35Å; H296-I305 WeakPolarHBondContact CD2-CD1 3.48Å; H296-I305 WeakPolarHBondContact NE2-CD1 3.32Å
297Q81.8Confident82.4Confident139 Ų13970.1 Ų70.165%0.6535%0.352SS*.EExtended strand (participates in β ladder)trans-123.9121.3179.5-168.215916.300108.7
298I80.3Confident81.9Confident5 Ų570.6 Ų70.63%0.02636%0.356CS..EExtended strand (participates in β ladder)trans-130.9115.5-176.2-57178.4000107.7L240 T244 Q248 Y252 F253 S300 G301L240-I298 HydrophobicContact CD2-CB 4.49Å; L240-I298 HydrophobicContact CD2-CD1 4.18Å; T244-I298 HydrophobicContact CG2-CG2 3.79Å; Q248-I298 HydrophobicContact CB-CG2 4.47Å; Y252-I298 HydrophobicContact CD1-CD1 3.57Å; Y252-I298 HydrophobicContact CD1-CG1 3.74Å; Y252-I298 HydrophobicContact CD2-CG1 4.45Å; Y252-I298 HydrophobicContact CE1-CD1 4.13Å; Y252-I298 HydrophobicContact CE1-CG1 4.07Å; Y252-I298 HydrophobicContact CG-CD1 4.08Å; Y252-I298 HydrophobicContact CG-CG1 3.95Å; F253-I298 HydrophobicContact CD2-CD1 3.9Å; F253-I298 HydrophobicContact CE2-CD1 3.11Å; F253-I298 HydrophobicContact CZ-CD1 3.5Å; F253-I298 VanDerWaalsContact CZ-CD1 3.5Å; I298-S300 PolarHBondContact O-N 3.14Å; I298-G301 PolarHBondContact N-O 3.17Å; I298-G301 PolarHBondContact O-N 3.01Å; I298-G301 VanDerWaalsContact O-N 3.16Å
299G74.3Confident81.4Confident60 Ų6068.5 Ų68.562%0.61935%0.348SS*.THydrogen-bonded Turntrans59.9-125.4-171.600000111.6
300S71.7Confident80.5Confident98 Ų9867.7 Ų67.769%0.68535%0.354SS*.THydrogen-bonded Turntrans-89.7-8.1177.155.50000114.1I298I298-S300 PolarHBondContact O-N 3.14Å
301G74.6Confident79.4Confident12 Ų1276.2 Ų76.212%0.12439%0.391CS..EExtended strand (participates in β ladder)trans-101.7142.9-174.400000113.5I298I298-G301 PolarHBondContact N-O 3.17Å; I298-G301 PolarHBondContact O-N 3.01Å; I298-G301 VanDerWaalsContact O-N 3.16Å
302K84.6Confident78.1Confident134 Ų13480.8 Ų80.858%0.58341%0.411SS*.EExtended strand (participates in β ladder)trans-91.6114.7168.2-177.5179.8-179.1-179.40108.9G239 Y295 H296G239-K302 CarbonylContact O-C 3.55Å; Y295-K302 HydrophobicContact CD1-CD 4.47Å; Y295-K302 VanDerWaalsContact CD1-CE 3.45Å; H296-K302 CarbonylContact O-C 3.59Å
303C87.4Confident76.9Confident0 Ų077.1 Ų77.10%040%0.398CS..EExtended strand (participates in β ladder)trans-97.6148178.361.60000112.5V237 G238 L240 Y295 H296V237-C303 HydrophobicContact CG1-CB 3.72Å; G238-C303 CarbonylContact O-C 3.57Å; G238-C303 WeakPolarHBondContact O-CA 3.32Å; G238-C303 VanDerWaalsContact O-CB 3.32Å; G238-C303 WeakPolarHBondContact O-CB 3.21Å; L240-C303 HydrophobicContact CD2-CB 3.82Å; L240-C303 HydrophobicContact CG-CB 4.3Å; Y295-C303 WeakPolarHBondContact CA-O 3.48Å; H296-C303 VanDerWaalsContact C-SG 3.6Å; H296-C303 VanDerWaalsContact CB-SG 3.53Å; H296-C303 PolarHBondContact N-O 3Å; H296-C303 PolarHBondContact O-N 3.41Å; H296-C303 PolarHBondContact O-SG 3.13Å; H296-C303 VanDerWaalsContact O-SG 3.35Å
304E87.6Confident75.8Confident51 Ų5180.5 Ų80.524%0.23840%0.402CS..EExtended strand (participates in β ladder)trans-111.5131.8176.6-175.1-172.6-166.400109.5V237 G238 R294 Y295 K306V237-E304 CarbonylContact C-O 3.55Å; V237-E304 WeakPolarHBondContact CA-O 3.35Å; G238-E304 PolarHBondContact N-O 3.16Å; G238-E304 PolarHBondContact O-N 3.35Å; R294-E304 CarbonylContact O-C 3.59Å; R294-E304 WeakPolarHBondContact O-CA 3.5Å; Y295-E304 HydrophobicContact CD1-CB 4.21Å; Y295-E304 HydrophobicContact CD1-CG 4.31Å; Y295-E304 HydrophobicContact CE1-CB 4.11Å; Y295-E304 HydrophobicContact CE1-CG 3.92Å; E304-K306 WeakPolarHBondContact OE1-CE 3.17Å; E304-K306 IonicContact OE1-NZ 2.7Å; E304-K306 PolarHBondContact OE1-NZ 2.99Å; E304-K306 WeakPolarHBondContact OE2-CE 3.42Å; E304-K306 IonicContact OE2-NZ 2.65Å; E304-K306 PolarHBondContact OE2-NZ 2.84Å
305I88.1Confident75Confident2 Ų281.7 Ų81.71%0.0141%0.406CS..EExtended strand (participates in β ladder)trans-103.4128.4-179.4-59.1-172.4000110.8V235 F236 F253 L290 L291 R294 H296V235-I305 HydrophobicContact CG1-CG2 3.26Å; F236-I305 WeakPolarHBondContact O-CA 3.39Å; F253-I305 HydrophobicContact CE1-CD1 3.67Å; F253-I305 HydrophobicContact CZ-CD1 4.18Å; L290-I305 HydrophobicContact CB-CD1 3.79Å; L290-I305 HydrophobicContact CB-CG2 4.15Å; L290-I305 HydrophobicContact CD1-CD1 4.39Å; L290-I305 HydrophobicContact CD2-CD1 3.65Å; L290-I305 HydrophobicContact CG-CD1 4.14Å; L291-I305 HydrophobicContact CD2-CG2 4.41Å; R294-I305 PolarHBondContact O-N 3.5Å; H296-I305 WeakPolarHBondContact CD2-CD1 3.48Å; H296-I305 WeakPolarHBondContact NE2-CD1 3.32Å
306K85.2Confident73.7Confident90 Ų9081.1 Ų81.139%0.39141%0.409SS..EExtended strand (participates in β ladder)trans-132.2155.2174.9-67.3176.7168.71400110.9F236 E304 A308F236-K306 HydrophobicContact CB-CB 4.37Å; F236-K306 HydrophobicContact CD1-CB 4Å; F236-K306 HydrophobicContact CD1-CD 4.46Å; F236-K306 HydrophobicContact CD1-CG 4.5Å; F236-K306 PolarHBondContact N-O 2.93Å; F236-K306 PolarHBondContact O-N 3.14Å; E304-K306 WeakPolarHBondContact OE1-CE 3.17Å; E304-K306 IonicContact OE1-NZ 2.7Å; E304-K306 PolarHBondContact OE1-NZ 2.99Å; E304-K306 WeakPolarHBondContact OE2-CE 3.42Å; E304-K306 IonicContact OE2-NZ 2.65Å; E304-K306 PolarHBondContact OE2-NZ 2.84Å; K306-A308 PolarHBondContact O-N 3.45Å
307V81.5Confident72.4Confident70 Ų7085.4 Ų85.442%0.42443%0.428SS..EExtended strand (participates in β ladder)trans-57120.8166.1173.90000108.3P232 L291 Q309P232-V307 HydrophobicContact CG-CB 4.33Å; P232-V307 HydrophobicContact CG-CG1 3.3Å; L291-V307 HydrophobicContact CD1-CG2 3.78Å; L291-V307 HydrophobicContact CD2-CG2 3.77Å; L291-V307 HydrophobicContact CG-CG2 4.46Å; V307-Q309 PolarHBondContact O-N 3.02Å
308A75Confident71.2Confident10 Ų1084.4 Ų84.48%0.08342%0.424CS..PPolyproline II helixtrans-66.2123.7178.600000109.5K234 F236 F278 K306K234-A308 HydrophobicContact CB-CB 3.91Å; K234-A308 HydrophobicContact CD-CB 4.33Å; K234-A308 HydrophobicContact CG-CB 3.73Å; K234-A308 WeakPolarHBondContact O-CB 3.45Å; K234-A308 PolarHBondContact O-N 3.06Å; F236-A308 HydrophobicContact CB-CB 4.38Å; F278-A308 HydrophobicContact CD1-CB 3.95Å; F278-A308 HydrophobicContact CE1-CB 4.17Å; K306-A308 PolarHBondContact O-N 3.45Å
309Q72.3Confident70Confident98 Ų9891.1 Ų91.146%0.45846%0.455SS..PPolyproline II helixtrans-92140.1171.4-65.1-159.5-15.200109.8V307 K311V307-Q309 PolarHBondContact O-N 3.02Å; Q309-K311 PolarHBondContact O-N 3.46Å
310P64.5Low69.1Low86 Ų8696.1 Ų96.156%0.55846%0.463SS*.PPolyproline II helixtrans-60.1141.3175.223.3-30.8000110.3E312 V313 Y314P310-E312 PolarHBondContact O-N 3.26Å; P310-V313 HydrophobicContact CG-CB 4.39Å; P310-V313 HydrophobicContact CG-CG2 3.82Å; P310-V313 PolarHBondContact O-N 2.76Å; P310-Y314 PolarHBondContact O-N 2.84Å
311K59.7Low68.2Low179 Ų17999.2 Ų99.278%0.77847%0.466SS*.Hα-helixtrans-52.7-29-174.6-169.9174.9-179.4177.20113.6Q309 R315Q309-K311 PolarHBondContact O-N 3.46Å; K311-R315 PolarHBondContact O-N 3.06Å; K311-R315 VanDerWaalsContact O-N 3.14Å
312E57.2Low67Low148 Ų148107.9 Ų107.969%0.69250%0.5SS*.Hα-helixtrans-67.3-42.1178.5-167.5176.1-17500112.8P310 Y314 R315 Q316P310-E312 PolarHBondContact O-N 3.26Å; E312-Y314 PolarHBondContact O-N 3.39Å; E312-R315 PolarHBondContact O-N 3.15Å; E312-Q316 PolarHBondContact O-N 3.48Å; E312-Q316 VanDerWaalsContact O-N 3.17Å
313V58.4Low65.2Low65 Ų65104.3 Ų104.339%0.39450%0.501SS..Hα-helixtrans-67.7-38.2178.5176.80000110.6P310 Q316 Q317P310-V313 HydrophobicContact CG-CB 4.39Å; P310-V313 HydrophobicContact CG-CG2 3.82Å; P310-V313 PolarHBondContact O-N 2.76Å; V313-Q316 PolarHBondContact O-N 3.47Å; V313-Q317 WeakPolarHBondContact O-CB 3.47Å; V313-Q317 PolarHBondContact O-N 3.26Å; V313-Q317 VanDerWaalsContact O-N 3.09Å
314Y60.4Low63.4Low136 Ų136107.2 Ų107.253%0.53353%0.532SS..Hα-helixtrans-69.9-36.2178.3-147.4-96.1000112.8P310 E312 Q317 Q318P310-Y314 PolarHBondContact O-N 2.84Å; E312-Y314 PolarHBondContact O-N 3.39Å; Y314-Q317 PolarHBondContact O-N 3.45Å; Y314-Q318 PolarHBondContact O-N 3.36Å
315R61.4Low61.5Low183 Ų183116.5 Ų116.569%0.69156%0.564SS**Hα-helixtrans-64.9-43.8174.3-99.4178.471.6178.21.7112K311 E312 Q319K311-R315 PolarHBondContact O-N 3.06Å; K311-R315 VanDerWaalsContact O-N 3.14Å; E312-R315 PolarHBondContact O-N 3.15Å; R315-Q319 WeakPolarHBondContact O-CB 3.45Å; R315-Q319 PolarHBondContact O-N 3.49Å
316Q57.3Low59.4Low123 Ų123120 Ų12058%0.57560%0.601SS**Hα-helixtrans-64.4-40.3176.5-87.2179.21.700112.2E312 V313 Q319 Q320E312-Q316 PolarHBondContact O-N 3.48Å; E312-Q316 VanDerWaalsContact O-N 3.17Å; V313-Q316 PolarHBondContact O-N 3.47Å; Q316-Q319 PolarHBondContact O-N 3.39Å; Q316-Q320 PolarHBondContact O-N 3.27Å
317Q57.5Low57.4Low104 Ų104120.6 Ų120.649%0.48662%0.622SS.*Hα-helixtrans-70.4-36.4-179-158.4167.157.200112.8V313 Y314 Q320 Q321V313-Q317 WeakPolarHBondContact O-CB 3.47Å; V313-Q317 PolarHBondContact O-N 3.26Å; V313-Q317 VanDerWaalsContact O-N 3.09Å; Y314-Q317 PolarHBondContact O-N 3.45Å; Q317-Q320 PolarHBondContact O-N 2.94Å; Q317-Q321 PolarHBondContact O-N 3.38Å; Q317-Q321 VanDerWaalsContact O-N 3.15Å
318Q55.9Low55.7Low119 Ų119122.4 Ų122.456%0.55665%0.645SS**Hα-helixtrans-67.3-35.9170.2-92.5-173.15.900112.8Y314 Q320 Q321 K322Y314-Q318 PolarHBondContact O-N 3.36Å; Q318-Q320 VanDerWaalsContact C-N 3.29Å; Q318-Q320 PolarHBondContact O-N 3.33Å; Q318-Q321 PolarHBondContact O-N 3.09Å; Q318-K322 WeakPolarHBondContact O-CB 3.25Å; Q318-K322 PolarHBondContact O-N 2.83Å
319Q55.8Low54.4Low146 Ų146126.6 Ų126.668%0.68268%0.679SS**Hα-helixtrans-69.2-30.4178.4-152.4161.620.900111.7R315 Q316 G323R315-Q319 WeakPolarHBondContact O-CB 3.45Å; R315-Q319 PolarHBondContact O-N 3.49Å; Q316-Q319 PolarHBondContact O-N 3.39Å; Q319-G323 PolarHBondContact O-N 2.87Å
320Q56Low52.9Low165 Ų165125.8 Ų125.877%0.77170%0.698SS**Hα-helixtrans-73.1-35.5172.6-122.5160.830.600113.2Q316 Q317 Q318Q316-Q320 PolarHBondContact O-N 3.27Å; Q317-Q320 PolarHBondContact O-N 2.94Å; Q318-Q320 VanDerWaalsContact C-N 3.29Å; Q318-Q320 PolarHBondContact O-N 3.33Å
321Q52Low52Low162 Ų162125.5 Ų125.576%0.75771%0.71SS**Hα-helixtrans-77.3-26.3174.9-82.8-178.51.800113.7Q317 Q318Q317-Q321 PolarHBondContact O-N 3.38Å; Q317-Q321 VanDerWaalsContact O-N 3.15Å; Q318-Q321 PolarHBondContact O-N 3.09Å
322K50Low51.1Low195 Ų195129.3 Ų129.385%0.84872%0.72SS**Hα-helixtrans-88.1-5.4177.1-133.1-178.7-177.7-174.30114.2Q318Q318-K322 WeakPolarHBondContact O-CB 3.25Å; Q318-K322 PolarHBondContact O-N 2.83Å
323G46.4Very low50.1Low58 Ų58126 Ų12660%0.59873%0.725SS**THydrogen-bonded Turntrans-89.8-7173.100000115.1Q319Q319-G323 PolarHBondContact O-N 2.87Å
324G49.6Very low49.4Very low62 Ų62126.7 Ų126.764%0.63975%0.745SS**SBendtrans-99.23.1-170.100000116.9
325R46.6Very low48.2Very low246 Ų246125.8 Ų125.893%0.92875%0.754SS**SBendtrans-144.275.5179.1-73.6-174.4175.3173.6-2.1110.2
326G44.1Very low47Very low76 Ų76128.8 Ų128.878%0.78477%0.765SS**SBendtrans170.43.6177.100000117.2
327A44.3Very low46Very low101 Ų101126.8 Ų126.884%0.83578%0.778SS**  trans-112.934.4179.600000113.2
328A45.4Very low45Very low108 Ų108134.2 Ų134.289%0.89380%0.802SS**SBendtrans-113.131.517100000112
329A48.7Very low44Very low98 Ų98132 Ų13281%0.8181%0.811SS**SBendtrans-160.391.3169.200000108.7
330G39.4Very low43Very low82 Ų82137.3 Ų137.385%0.84583%0.825SS**SBendtrans162.871.317600000116
331G45.6Very low41.8Very low79 Ų79133 Ų13381%0.81483%0.825SS**  trans72.976.8140.400000118.6
332R40.7Very low41Very low260 Ų260134.5 Ų134.598%0.98183%0.832SS**  trans-137.7104.3144.9-86.3-171.8178.6173.4-0.7109.1
333G36.3Very low40.1Very low79 Ų79128.6 Ų128.681%0.81483%0.826SS**  trans165.138.1176.900000114.7T335G333-T335 PolarHBondContact O-N 3.13Å
334G44.1Very low39.5Very low78 Ų78134.7 Ų134.780%0.80484%0.839SS**  trans-92.282.4172.300000110.9
335T35.6Very low38.5Very low117 Ų117137.5 Ų137.572%0.71884%0.839SS**  trans-155.4108.5160.6-54.40000111.3G333G333-T335 PolarHBondContact O-N 3.13Å
336R36.5Very low37.6Very low246 Ų246136.4 Ų136.493%0.92884%0.835SS**  trans49113.6148.9-60.3175.2-170.81512.9119.2
337G36.1Very low37Very low82 Ų82138.6 Ų138.685%0.84583%0.829SS**  trans-159.1107.7156.300000111.8
338R35.6Very low36.5Very low260 Ų260143.1 Ų143.198%0.98183%0.832SS**  trans-71.6146.3172.2-71.6-179.9173.3177.9-2111
339G35.7Very low35.8Very low73 Ų73140.9 Ų140.975%0.75382%0.82SS**  trans161.692.5159.800000110.8
340R33.5Very low34.8Very low257 Ų257145.5 Ų145.597%0.9782%0.822SS**  62111.991.7-86.7-159.7-178.4-167.82.6115.6
341G32.6Very low34.3Very low75 Ų75147.8 Ų147.877%0.77382%0.815SS**  trans85.3153.1145.700000115.9
342Q33.3Very low33.5Very low193 Ų193151.3 Ų151.390%0.90282%0.815SS**  cis-175.9129.1-10.8-153.21591300104.5
343G31.7Very low32.9Very low70 Ų70147.4 Ų147.472%0.72280%0.802SS**  trans55.8133.7144.100000123.6
344Q34.8Very low32.6Very low187 Ų187152 Ų15287%0.87480%0.796SS**  trans102.397.9134.5-49.5-151.433.400119.7
345N28Very low32Very low120 Ų120154.1 Ų154.164%0.64279%0.789SS**  41.3120.5116-156.325.7000118.7
346W28.5Very low31.8Very low224 Ų224156.6 Ų156.685%0.84879%0.792SS**  -178.1154.6108.6-98.198.8000112.2
347N30.6Very low31.4Very low122 Ų122148 Ų14865%0.65278%0.78SS**  trans-81.2156.9-162.4-161.7-3.3000114.6
348Q33.5Very low31.2Very low195 Ų195155.2 Ų155.291%0.91178%0.783SS**  trans144.6124.6152.6-82.6164.683.500109.8
349G30.5Very low31Very low62 Ų62146.2 Ų146.264%0.63977%0.772SS**  cis168.6153.73.300000109.2
350F28.8Very low30.8Very low194 Ų194150.1 Ų150.185%0.85178%0.775SS**  trans65.4107.9160.4-77-98.8000118.9
351N29.2Very low30.6Very low131 Ų131148.9 Ų148.970%0.70177%0.772SS**  92126.169.6-96-27.9000114.1
352N27.6Very low30.6Very low152 Ų152151.7 Ų151.781%0.81377%0.769SS**  trans126.3135.5153.8-72.4-36.2000111.9
353Y27.7Very low30.4Very low179 Ų179147.3 Ų147.370%0.70276%0.76SS**  cis-179136.7-9.1177.8-110000103.7
354Y31.1Very low30.4Very low175 Ų175147.8 Ų147.869%0.68676%0.757SS**  trans77.5102.8171.7-85.3-127000117.9
355D30.7Very low30.2Very low122 Ų122150.2 Ų150.265%0.65276%0.76SS**  65.3125.580.4-128.2-112000110.2
356Q31.6Very low30.2Very low169 Ų169148.4 Ų148.479%0.7977%0.77SS**  cis-177.2136.747.4-166.116879.100110.6
357G29.2Very low30.2Very low65 Ų65141.4 Ų141.467%0.6777%0.767SS**  trans79.9139.2140.400000118.2
358Y31.6Very low30.4Very low235 Ų235143.1 Ų143.192%0.92278%0.776SS**  cis-160.9131.63-110.5-97.2000103.2
359G31.6Very low30.3Very low71 Ų71143.1 Ų143.173%0.73278%0.777SS**  100.97879.100000110.3
360N31.2Very low30.3Very low155 Ų155146.6 Ų146.683%0.82978%0.781SS**  trans-80.3121.7163.1178.611.3000107.8
361Y29.6Very low30.3Very low230 Ų230148.3 Ų148.390%0.90278%0.783SS**  trans-136.1133.1164.1-109.6-89.9000112.1
362N30.9Very low30.5Very low134 Ų134146.7 Ų146.772%0.71778%0.782SS**  trans-65.5147.9-177.1-169.216.7000115.3
363S29.6Very low30.4Very low102 Ų102142.5 Ų142.571%0.71377%0.774SS**  trans155.4114.2144.2-77.90000109.5
364A31.2Very low30.6Very low80 Ų80145.5 Ų145.566%0.66179%0.786SS**  6583.455.200000114.1
365Y30.9Very low30.5Very low237 Ų237140.8 Ų140.893%0.92979%0.791SS**  trans-168.9120.5150.6-83.5-75.6000104
366G29.5Very low30.5Very low82 Ų82138 Ų13885%0.84579%0.792SS**  cis110.4119.846.300000107.7
367G28.8Very low30.4Very low77 Ų77141.1 Ų141.179%0.79480%0.798SS**  trans129.397.5160.300000117.3
368D33Very low30.4Very low158 Ų158145.4 Ų145.485%0.84581%0.805SS**  trans-37.4148.5151.5-73.1-102.4000114.3
369Q33.3Very low30.2Very low196 Ų196144 Ų14492%0.91680%0.8SS**  -162.5134.9118.3-77.9-140.8-3.700112.1
370N29.6Very low30.2Very low135 Ų135145.4 Ų145.472%0.72279%0.794SS**  trans-87.6136177.7178.43.3000109.9
371Y29.4Very low30.2Very low230 Ų230141.7 Ų141.790%0.90279%0.792SS**  trans-149.1116153.8-148-100.1000111.3
372S31.7Very low30.2Very low96 Ų96141.5 Ų141.567%0.67179%0.791SS**  trans-38.1142.9161.6-52.20000112.3
373G27.4Very low30.1Very low64 Ų64142.4 Ų142.466%0.6680%0.797SS**  cis116.3126.839.800000107.8
374Y30.4Very low30.2Very low242 Ų242148.2 Ų148.295%0.94980%0.804SS**  trans-166.6119.5152.7-111.3-76.4000111.3
375G29.4Very low30.2Very low77 Ų77147.6 Ų147.679%0.79481%0.805SS**  trans51.9128.3149.700000119.7
376G30Very low30.1Very low64 Ų64144 Ų14466%0.6680%0.802SS**  cis128.2149.826.800000109.3
377Y29.8Very low30.2Very low234 Ų234150.8 Ų150.892%0.91880%0.804SS**  trans101.493.4170.6-44.4-63000118.4
378D29.3Very low30.2Very low154 Ų154150.6 Ų150.682%0.82480%0.802SS**  trans-54.5146.6153.9-66.3-74.4000113.8
379Y27.9Very low30.1Very low207 Ų207154.8 Ų154.881%0.81281%0.808SS**  -175.4121.9112.4-128.1-114.7000113.7
380T31.4Very low29.9Very low100 Ų100148.9 Ų148.961%0.61380%0.8SS**  trans55.7101144.961.40000121.7
381G30.3Very low29.9Very low77 Ų77151.2 Ų151.279%0.79481%0.806SS**  trans-113.6113.315300000110.7N383G381-N383 PolarHBondContact O-N 3.04Å
382Y31.1Very low29.8Very low225 Ų225143.7 Ų143.788%0.88280%0.799SS**PPolyproline II helixtrans-67.2120.5176.7-85.6-90.7000111.2
383N28.6Very low29.7Very low154 Ų154149.7 Ų149.782%0.82481%0.808SS**PPolyproline II helixtrans-94.1128.8179.8-172.2-17.8000110G381G381-N383 PolarHBondContact O-N 3.04Å
384Y30.6Very low29.9Very low224 Ų224150.9 Ų150.988%0.87881%0.812SS**PPolyproline II helixtrans-74.9118.6177.1-115.7-98.4000110.6N386Y384-N386 PolarHBondContact O-N 3.18Å
385G32.1Very low29.7Very low66 Ų66147.3 Ų147.368%0.6881%0.809SS**PPolyproline II helixtrans-70.2123.1177.700000113.2
386N29.2Very low29.8Very low162 Ų162154.2 Ų154.287%0.86681%0.813SS**PPolyproline II helixtrans-93.7120.7171.1-174.68.1000108.9Y384 G388Y384-N386 PolarHBondContact O-N 3.18Å; N386-G388 PolarHBondContact O-N 3.42Å
387Y30.6Very low29.8Very low225 Ų225156.4 Ų156.488%0.88282%0.818SS**  trans-76.4109.6178.9-85.8-93.4000111.1
388G29.6Very low29.8Very low73 Ų73148.9 Ų148.975%0.75381%0.812SS**  trans-120.7121.316600000110.3N386N386-G388 PolarHBondContact O-N 3.42Å
389Y30.1Very low29.9Very low245 Ų245150.9 Ų150.996%0.96182%0.816SS**  trans-60.5129176.8-84.7-103000112.1
390G28.9Very low30Very low73 Ų73150.2 Ų150.275%0.75382%0.82SS**  trans-156.8108.6172.200000111.4
391Q30.5Very low30Very low184 Ų184150.4 Ų150.486%0.8683%0.826SS**  trans-50.8128.3167.9-87-93.623.800111.8
392G26.9Very low29.9Very low72 Ų72152.3 Ų152.374%0.74282%0.823SS**  trans-144.5109.4169.900000109.6
393Y29.8Very low29.9Very low221 Ų221152.7 Ų152.787%0.86782%0.824SS**  trans-69.9134.3165.9-102-94.3000109.1
394A32.3Very low29.9Very low90 Ų90148.7 Ų148.774%0.74482%0.819SS**  trans-81.9126.1175.300000110.4
395D26.3Very low30Very low167 Ų167148 Ų14889%0.89382%0.821SS**  trans-96.8113.7157.3-84.3-51.2000107.8
396Y30Very low29.9Very low221 Ų221149.4 Ų149.487%0.86783%0.825SS**  trans-115.1125.9158.3-124-92.2000108.5G398Y396-G398 PolarHBondContact O-N 3.44Å
397S31.5Very low30Very low110 Ų110147.4 Ų147.477%0.76982%0.824SS**  trans-42.7120.7172.252.50000113.9
398G29.1Very low30.3Very low76 Ų76148.6 Ų148.678%0.78483%0.827SS**  trans-120.9114.4157.800000109Y396Y396-G398 PolarHBondContact O-N 3.44Å
399Q30.9Very low30.3Very low197 Ų197148.9 Ų148.992%0.92183%0.829SS**  trans-61.5142165-70.1-175.91.900109.4
400Q30.9Very low30.2Very low192 Ų192141.4 Ų141.490%0.89783%0.827SS**  151.7132.1124.3-161.8162.42.900111.1
401S31.3Very low30.3Very low104 Ų104141.5 Ų141.573%0.72783%0.828SS**  trans-63.7167.5-171.5-51.70000115.8
402T28.7Very low30.5Very low118 Ų118139.7 Ų139.772%0.72483%0.825SS**  trans108.4109.2136.6-54.30000117.4
403Y29.4Very low31Very low233 Ų233144 Ų14491%0.91483%0.825SS**  trans69.1127.4147-85.8-115.1000121.8
404G30.1Very low31.2Very low69 Ų69142.5 Ų142.571%0.71183%0.826SS**  134.884.2127.500000119.8
405K31Very low31.5Very low211 Ų211145.7 Ų145.792%0.91783%0.83SS**  trans54.7131.3134.3-79.8-171.6173.9179.80124.3
406A31.8Very low31.9Very low94 Ų94145.6 Ų145.678%0.77783%0.83SS**  trans81115.6140.400000118.1
407S31.3Very low32.2Very low120 Ų120143.7 Ų143.784%0.83982%0.823SS**  86.6106.851.7-161.60000113.8
408R35.6Very low32.7Very low251 Ų251145 Ų14595%0.94782%0.816SS**  trans-177.7122.8154.2-98.2176-173.4-176.92.2105.2
409G29.4Very low34.3Very low78 Ų78146.2 Ų146.280%0.80481%0.811SS**  cis12093.718.200000109.7
410G29.7Very low34.9Very low88 Ų88150.8 Ų150.891%0.90782%0.821SS**  trans82.1143.1136.900000121.1
411G30.2Very low35.1Very low76 Ų76148.7 Ų148.778%0.78482%0.817SS**  trans124.979.8150.400000115.4
412N33.5Very low35.3Very low146 Ų146151.1 Ų151.178%0.78182%0.822SS**  74.111683.9-129.121000116.4
413H39.2Very low35.7Very low161 Ų161152.9 Ų152.975%0.74583%0.828SS**  trans16.4137.4144.7-6083.1000121.1
414Q33.3Very low36.1Very low191 Ų191148.2 Ų148.289%0.89382%0.823SS**  172.3155.895.1-120.6157.5-23.800114.3
415N39Very low36.4Very low156 Ų156153.1 Ų153.183%0.83483%0.83SS**  trans-71.9166176.2-73.7-58.8000114.9
416N34.5Very low36.8Very low166 Ų166149.3 Ų149.389%0.88882%0.824SS**  trans109.5164.3136.1-135.220.7000119.2
417Y36.6Very low37.2Very low181 Ų181153.2 Ų153.271%0.7183%0.827SS**  trans-116.5148.4-130.8-168.2-106.8000114.5
418Q41.3Very low37.6Very low137 Ų137155.8 Ų155.864%0.6483%0.826SS**  trans61.9162.5154.9-86.4-165.8-1200121.5
419P63.2Low37.8Very low102 Ų102147.8 Ų147.866%0.66282%0.816SS**  cis-136.8161.82139.7-20.7000118.2
420Y43.7Very low38.5Very low292 Ų292154.2 Ų154.2100%1.14582%0.817SS**  -162.40112.2-110.4-79.3000109.8

Retrieved 420 of 420 residues in 225.2 ms (Link to these results)