A0A087Y4S2_POEFO Loading...

Smad nuclear interacting protein 1

Required for pre-mRNA splicing as component of the spliceosome. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs. Down-regulates NF-kappa-B signaling by competing with RELA for CREBBP/EP300 binding. Involved in the microRNA (miRNA) biogenesis. May be involved in cyclin-D1/CCND1 mRNA stability through the SNARP complex which associates with both the 3'end of the CCND1 gene and its mRNA.

AlphaFold DB , UniProt , Accession A0A087Y4S2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 364 aa.

Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.6Very low43.5Very low248 Ų248211.7 Ų211.7100%1.22292%0.922SS**  096.50-70.3175.8176.300108.9
2T40.6Very low44Very low146 Ų146203.4 Ų203.490%0.89691%0.911SS**  trans-104.6133.1-173.932.10000110.3
3K42Very low44.8Very low213 Ų213197.7 Ų197.793%0.92691%0.905SS**  trans-87.7114.4-178.7-78178174.8174.30110.6
4E43.4Very low45Very low192 Ų192192.6 Ų192.690%0.89790%0.896SS**  trans-92.9128180-158.5172.6-165.500111.7R6E4-R6 PolarHBondContact O-N 3.11Å
5K45.8Very low45Very low186 Ų186195.2 Ų195.281%0.80989%0.894SS**  trans-85108.2-176.5-76.1178.7176.3175.10111.1H7K5-H7 PolarHBondContact O-N 3.11Å
6R44.6Very low45.1Very low248 Ų248193.9 Ų193.994%0.93689%0.89SS**  trans-72.8108.9171.3-81.5-178.7155.2-165.2-7.7112E4E4-R6 PolarHBondContact O-N 3.11Å
7H43.2Very low45.3Very low179 Ų179189.4 Ų189.483%0.82988%0.879SS**  trans-73.6122.8167.4-80.2-96000111.1K5 R9K5-H7 PolarHBondContact O-N 3.11Å; H7-R9 PolarHBondContact O-N 3.42Å
8R44.5Very low45.4Very low244 Ų244187.1 Ų187.192%0.92187%0.869SS**  trans-78.8111.1169.8-71.5180174.3174.1-2.9109.5
9R41.3Very low45.7Very low244 Ų244183.8 Ų183.892%0.92186%0.863SS**PPolyproline II helixtrans-68.3129161.6-83.1-178.1166.7179.5-4.3108.4H7H7-R9 PolarHBondContact O-N 3.42Å
10R44.5Very low45.8Very low241 Ų241182.8 Ų182.891%0.90986%0.855SS**PPolyproline II helixtrans-83.1131.6165.4-80.9-178.4163.7-167.6-5.3108.3
11E45.7Very low46Very low188 Ų188181.2 Ų181.288%0.87985%0.851SS**PPolyproline II helixtrans-75.9142.4169.2-68.1172.1134.800109.9
12S49.3Very low46Very low112 Ų112178.8 Ų178.878%0.78383%0.834SS**PPolyproline II helixtrans-84131.5176.4-56.50000109.7
13P53.8Low46.3Very low129 Ų129180.3 Ų180.384%0.83883%0.831SS**PPolyproline II helixtrans-67.6136.9177.427.3-33.4000111.3
14T48Very low46.4Very low127 Ų127179.1 Ų179.178%0.77983%0.828SS**PPolyproline II helixtrans-66.3135.8178.641.60000112E16T14-E16 PolarHBondContact O-N 3.15Å
15R44.4Very low46.6Very low231 Ų231179.3 Ų179.387%0.87283%0.826SS**  trans-84.594178.5-173.2-177.1-175-170.42.2110.5
16E47Very low46.8Very low175 Ų175178.6 Ų178.682%0.81883%0.83SS**  trans-63.4135.5169.5-65.5-178.9173.200110.7T14T14-E16 PolarHBondContact O-N 3.15Å
17T48.6Very low47.3Very low117 Ų117172 Ų17272%0.71882%0.823SS**  trans-109.984.7179.4490000110.7V19T17-V19 PolarHBondContact O-N 3.49Å; T17-V19 VanDerWaalsContact O-N 3.12Å
18E46.4Very low48Very low148 Ų148169.6 Ų169.669%0.69282%0.823SS**  trans-64107.4167-84.4-159.6131.600110.6K20E18-K20 PolarHBondContact O-N 2.92Å; E18-K20 VanDerWaalsContact O-N 3.13Å; E18-K20 WeakPolarHBondContact OE2-CE 3.48Å; E18-K20 IonicContact OE2-NZ 3.67Å; E18-K20 PolarHBondContact OE2-NZ 3.04Å
19V51.3Low48.3Very low125 Ų125163.6 Ų163.676%0.75882%0.818SS**  trans-78.792.8168.7-178.80000108.9T17 I21T17-V19 PolarHBondContact O-N 3.49Å; T17-V19 VanDerWaalsContact O-N 3.12Å; V19-I21 HydrophobicContact CG1-CG1 4.42Å; V19-I21 PolarHBondContact O-N 3.19Å
20K47.4Very low48.2Very low163 Ų163163 Ų16371%0.70982%0.816SS**  trans-74.292173.9-79.9177175144.80111E18 K22E18-K20 PolarHBondContact O-N 2.92Å; E18-K20 VanDerWaalsContact O-N 3.13Å; E18-K20 WeakPolarHBondContact OE2-CE 3.48Å; E18-K20 IonicContact OE2-NZ 3.67Å; E18-K20 PolarHBondContact OE2-NZ 3.04Å; K20-K22 PolarHBondContact O-N 3.5Å
21I50.4Low48.5Very low149 Ų149157.2 Ų157.276%0.76481%0.809SS**  trans-58.5119.5171.4-62.5173.6000108.9V19 Q23V19-I21 HydrophobicContact CG1-CG1 4.42Å; V19-I21 PolarHBondContact O-N 3.19Å; I21-Q23 PolarHBondContact O-N 3.28Å; I21-Q23 VanDerWaalsContact O-N 3.16Å
22K43.4Very low48.2Very low197 Ų197157.1 Ų157.186%0.85781%0.809SS**  trans-77.2100.1-176.4-165.8178.4-173.3-179.30109.5K20 E24K20-K22 PolarHBondContact O-N 3.5Å; K22-E24 PolarHBondContact O-N 2.63Å
23Q48.2Very low47.6Very low179 Ų179163 Ų16384%0.83681%0.814SS**  trans-59.8120.5173-77.3-174.8-18.200110.4I21 K25I21-Q23 PolarHBondContact O-N 3.28Å; I21-Q23 VanDerWaalsContact O-N 3.16Å; Q23-K25 PolarHBondContact O-N 3.22Å
24E42.8Very low46.8Very low187 Ų187162.1 Ų162.187%0.87481%0.811SS**  trans-74.3108.5177.8-168.6172.5-151.900109.6K22 L26K22-E24 PolarHBondContact O-N 2.63Å; E24-L26 PolarHBondContact O-N 3.23Å; E24-L26 VanDerWaalsContact O-N 3.12Å
25K48.2Very low46.2Very low196 Ų196167.8 Ų167.885%0.85282%0.818SS**  trans-74.3104.6176.3-73.2-171.2176.6-1760109.7Q23 S27Q23-K25 PolarHBondContact O-N 3.22Å; K25-S27 PolarHBondContact O-N 2.73Å
26L49.8Very low45.7Very low171 Ų171168.3 Ų168.390%0.89582%0.82SS**PPolyproline II helixtrans-46.6128.5169.9-75.5159.9000110.9E24E24-L26 PolarHBondContact O-N 3.23Å; E24-L26 VanDerWaalsContact O-N 3.12Å
27S55.3Low45.1Very low111 Ų111165.1 Ų165.178%0.77682%0.817SS**PPolyproline II helixtrans-71.4136.9179.4-64.50000110.9K25K25-S27 PolarHBondContact O-N 2.73Å
28P57Low44.3Very low128 Ų128171.3 Ų171.383%0.83183%0.828SS**PPolyproline II helixtrans-65.3139.2174.926.8-33.3000111
29S51.3Low43.8Very low118 Ų118169.9 Ų169.983%0.82583%0.834SS**PPolyproline II helixtrans-69.8142.8-173.959.10000112.7
30R40.5Very low42.9Very low231 Ų231176 Ų17687%0.87284%0.843SS**PPolyproline II helixtrans-73.5123.9-178.4-176.3-178.3-174.2-179.94.3110.5Q32R30-Q32 PolarHBondContact O-N 3.23Å
31P49.6Very low42.3Very low119 Ų119174.2 Ų174.277%0.77385%0.851SS**PPolyproline II helixtrans-63.9131.8178.423.8-32.2000111.6
32Q39.4Very low41.4Very low186 Ų186172.2 Ų172.287%0.86986%0.857SS**PPolyproline II helixtrans-66.1131.1177.4-78.4-74.8-30.500110.8R30 S34R30-Q32 PolarHBondContact O-N 3.23Å; Q32-S34 PolarHBondContact O-N 2.88Å
33R36.6Very low40.8Very low235 Ų235165.8 Ų165.889%0.88785%0.847SS**  trans-80.9112.2-179.8-157.7178.3-167.7-137.75.6109.3R35R33-R35 PolarHBondContact O-N 3.14Å
34S38.2Very low39.9Very low111 Ų111163.8 Ų163.878%0.77685%0.847SS**  trans-59.9132.2-179.252.70000111.8Q32 R36Q32-S34 PolarHBondContact O-N 2.88Å; S34-R36 PolarHBondContact O-N 2.99Å
35R34.8Very low39.3Very low246 Ų246160.5 Ų160.593%0.92884%0.844SS**  trans-75.2109.5176.1-76.1177167.9158.4-4.2108.9R33 S37R33-R35 PolarHBondContact O-N 3.14Å; R35-S37 PolarHBondContact O-N 3.04Å; R35-S37 VanDerWaalsContact O-N 3.17Å
36R33.3Very low38.6Very low243 Ų243156.7 Ų156.792%0.91784%0.843SS**  trans-69.9109.2175.1-159.7175.6-169.1-179.43.4109.4S34S34-R36 PolarHBondContact O-N 2.99Å
37S33.9Very low38.8Very low108 Ų108154 Ų15476%0.75584%0.835SS**  trans-61.7134.6171.241.10000110.3R35R35-S37 PolarHBondContact O-N 3.04Å; R35-S37 VanDerWaalsContact O-N 3.17Å
38R32.6Very low38.4Very low247 Ų247154.4 Ų154.493%0.93284%0.836SS**  trans-104.199.4164.9-80.9-176.4169.6178.1-3.9107.8
39S36.2Very low37.3Very low118 Ų118159.6 Ų159.683%0.82584%0.838SS**  trans-67.4150.1165.540.70000110.2
40R31.6Very low36.3Very low252 Ų252166 Ų16695%0.95185%0.845SS**  trans-89.3145.1176.6-65.3169167.3171.9-7109.5
41S35.5Very low35.9Very low126 Ų126166.9 Ų166.988%0.88185%0.848SS**  trans-132148.7151.652.10000108.7
42A31.4Very low35Very low108 Ų108165.9 Ų165.989%0.89385%0.85SS**  trans-109.4163.7-170.600000111.8
43G30Very low34.6Very low61 Ų61162 Ų16263%0.62984%0.843SS**  trans158.366.8178.800000111.4
44T30.9Very low34.4Very low137 Ų137162.2 Ų162.284%0.8484%0.844SS**  55.194.198.563.20000115.4
45S30.3Very low34.2Very low118 Ų118162.4 Ų162.483%0.82585%0.845SS**  trans-173.1139.8130.944.30000111.7
46S32Very low34.7Very low116 Ų116157 Ų15781%0.81184%0.842SS**  trans-178.9159.6176.8-81.30000107.9
47P53.7Low34.6Very low115 Ų115150 Ų15075%0.74784%0.836SS**  cis-121.4-136.5-31.934.1-12000107.6
48P48.5Very low34.5Very low120 Ų120154.6 Ų154.678%0.77984%0.843SS**  cis-136.2170.240.935.2-13.2000116.7
49R33.5Very low34.5Very low236 Ų236147.1 Ų147.189%0.89183%0.834SS**  trans-81.5156.3169-65.5169.8158.6-161.8-6.6111.4
50R30.6Very low34.2Very low253 Ų253152.6 Ų152.696%0.95584%0.836SS**  trans-133.2137.5148.1-81.8-167.5169.2-145.9-2.1111.7
51R31.5Very low34.1Very low250 Ų250150 Ų15094%0.94384%0.835SS**  trans-94.8144.3161.7-78.4177.5158.4-156.6-3.6108
52A29.8Very low33.8Very low98 Ų98154.2 Ų154.281%0.8183%0.831SS**  trans-172.4141.3136.200000112.5
53S32.3Very low34.2Very low104 Ų104154.2 Ų154.273%0.72783%0.825SS**  trans-25.6145.6163.653.90000119.7
54R31.3Very low35.2Very low240 Ų240156.8 Ų156.891%0.90683%0.83SS**  -176.6136.3111.4-99.5163.2178175.7-1.8112.3
55S34.9Very low35.2Very low115 Ų115156 Ų15680%0.80482%0.821SS**  trans-79.8163.1163.6-46.50000110.5
56P44.4Very low35.4Very low133 Ų133161 Ų16186%0.86482%0.822SS**  -139.2174.9119.534.1-19.4000114.2
57A30.8Very low35.3Very low96 Ų96165.9 Ų165.979%0.79382%0.823SS**  trans-105.1163.5-166.500000114.8
58K32.6Very low34.2Very low204 Ų204167.7 Ų167.789%0.88782%0.821SS**  trans-148.1110.7149-89.9179.5179.8179.50107.3
59A31.9Very low33.5Very low90 Ų90168 Ų16874%0.74482%0.821SS**  57.191.693.100000112.3
60R29.9Very low33.5Very low232 Ų232161.8 Ų161.888%0.87581%0.813SS**  50.2110.382.2-85.1-167.7169.9-166.9-0.2115
61Q29.7Very low34.1Very low197 Ų197155.4 Ų155.492%0.92181%0.805SS**  trans-133.9144.3132.4-74-156.3-3.300110.5
62R28.7Very low34.2Very low215 Ų215150.2 Ų150.281%0.81180%0.801SS**  trans-98.8166.5164.3-80.8175.7156.4-176.3-8106.3
63S40.8Very low34.2Very low108 Ų108148.7 Ų148.776%0.75579%0.794SS**  -166.7-162.558.1-49.10000110.9
64P50.6Low34.2Very low115 Ų115150.6 Ų150.675%0.74780%0.802SS**  -132.7-160.4-11439.6-16.3000115.7
65D32Very low34.2Very low122 Ų122144.2 Ų144.265%0.65279%0.794SS**  trans89.1139165.6-80.110.7000116.8
66R33.5Very low34.1Very low222 Ų222147.1 Ų147.184%0.83880%0.801SS**  cis-148.1169.67.7-117.1153.3-160.4-136.54111.7
67R30.6Very low33.4Very low219 Ų219152 Ų15283%0.82680%0.801SS**  trans-81.8175.4171.7-41.2170.9166.3172.1-4110.8
68E30.6Very low33.7Very low153 Ų153153 Ų15372%0.71580%0.803SS**  cis-124.6-166.85.9-64.2-160.5157.200109.5
69T33.2Very low34.1Very low125 Ų125149.3 Ų149.377%0.76780%0.8SS**  cis-153.5-174.410.7-27.10000109.9
70S33.2Very low34.2Very low106 Ų106156.6 Ų156.674%0.74181%0.808SS**  trans-121.4161.6171.1-51.30000110.3
71P44.8Very low34.2Very low119 Ų119152.7 Ų152.777%0.77381%0.805SS**  -143.915981.428.6-7.4000117.1
72V33.5Very low34.4Very low142 Ų142154 Ų15486%0.86180%0.801SS**  trans39.6109.9146.8-173.80000117.1
73G29.1Very low34.4Very low65 Ų65155.8 Ų155.867%0.6781%0.808SS**  103.4115.363.700000110.1
74T32.5Very low34Very low144 Ų144156.5 Ų156.588%0.88381%0.813SS**  -170.6138.8107.5-65.30000109.7
75S30.7Very low32.9Very low106 Ų106162.3 Ų162.374%0.74182%0.82SS**  trans-85.9118.8-17857.80000113.3R77S75-R77 PolarHBondContact O-N 3.11Å
76N32.1Very low33Very low177 Ų177160.4 Ų160.495%0.94782%0.816SS**  trans-84.9102.2168.7-104.8-15.1000111.2
77R30.9Very low33Very low234 Ų234155.9 Ų155.988%0.88382%0.816SS**  trans-116.8130.3174.9-162.7177.3-169.6176.63.8108.9S75S75-R77 PolarHBondContact O-N 3.11Å
78S36.9Very low32.9Very low117 Ų117154.1 Ų154.182%0.81882%0.816SS**  trans-60.3137.5-167.9-40.30000114.5
79P41.5Very low33Very low128 Ų128158.8 Ų158.883%0.83183%0.827SS**  trans-90.1114.7170.531.7-28.9000112.3
80R33.2Very low32.8Very low242 Ų242156.3 Ų156.391%0.91383%0.827SS**  trans-87120.1154.9-84.3177.7168169.4-3.7108.4
81N31Very low32.8Very low150 Ų150157 Ų15780%0.80283%0.832SS**  trans-127.8104165.6-123.36.1000107.9
82R34Very low32.1Very low226 Ų226158 Ų15885%0.85383%0.831SS**  68.5101.179.5-70.3-173.7170.2-168.1-1.6113.2
83R28.6Very low32.1Very low251 Ų251155.7 Ų155.795%0.94783%0.827SS**PPolyproline II helixtrans-63.5135.9164.9-68.2171.4169.2167.7-6.6110.5
84S32.3Very low32.2Very low124 Ų124161.6 Ų161.687%0.86783%0.834SS**PPolyproline II helixtrans-91120.8166.532.80000111.4
85R28.1Very low32.2Very low237 Ų237161.5 Ų161.589%0.89483%0.833SS**PPolyproline II helixtrans-99.4151.3156.4-86176.1168.6174.4-6106.2
86S32.2Very low32.2Very low82 Ų82166.2 Ų166.257%0.57384%0.84SS**  cis-152.3-170.8-11.8-68.70000105.7
87P35.3Very low32Very low127 Ų127167.8 Ų167.883%0.82583%0.833SS**  -144.8155.386.532.4-13.6000115.1
88H27.8Very low32Very low181 Ų181164.1 Ų164.184%0.83883%0.826SS**  trans-76.9139.2173.8-70.4-89.5000111.6
89R32.8Very low31.6Very low251 Ų251168.5 Ų168.595%0.94783%0.83SS**  trans-117.5135.8147.4-77.6-169.2177.6-161.71.1107.8
90G29.6Very low31Very low74 Ų74170.7 Ų170.776%0.76383%0.829SS**  trans-123.9160.5167.800000109.9
91S32.1Very low30.9Very low119 Ų119167.1 Ų167.183%0.83282%0.822SS**  trans-177.4136149.2520000109.3
92D30.7Very low30.8Very low141 Ų141168.2 Ų168.275%0.75482%0.823SS**  trans-56144.4175.2-70.1-103000114.3
93A33.4Very low30.6Very low94 Ų94169.7 Ų169.778%0.77783%0.828SS**  trans-149.678.1152.100000109.8V95A93-V95 PolarHBondContact O-N 3.22Å
94K31.1Very low30.7Very low188 Ų188161.3 Ų161.382%0.81782%0.821SS**  trans-73.3103.3169.3-77.5172.7178.51610109.6
95V32.2Very low30.4Very low143 Ų143161.9 Ų161.987%0.86782%0.824SS**  trans-88.2112.5157.91790000107.7A93A93-V95 PolarHBondContact O-N 3.22Å
96K29.8Very low30.5Very low204 Ų204154.2 Ų154.289%0.88782%0.819SS**  trans-99.3122.5-178.8-167.7-171.7-173.2-168.60107.8
97R29.1Very low30.5Very low211 Ų211156.9 Ų156.980%0.79683%0.827SS**  trans-135.8109.9167.7-157.8169.1-171.9169.65.8111.7
98E30Very low30.4Very low157 Ų157157 Ų15773%0.73482%0.816SS**  trans40.3106.5148.3-64.9154.1164.300118.8
99K29.6Very low30.7Very low208 Ų208157.7 Ų157.790%0.90481%0.812SS**  -146.5122.6127.9-167.4163.5-176.2174.80110.1
100E29.4Very low30.8Very low174 Ų174158 Ų15881%0.81381%0.813SS**  trans-76.5143.1172.3-62174.2123.400109.8
101E30.1Very low31Very low167 Ų167165.8 Ų165.878%0.7882%0.819SS**  172.9124.7111.1-91.6-174.1156.100112.4
102Q29.6Very low30.9Very low173 Ų173171.1 Ų171.181%0.80882%0.821SS**  trans32.4109.4144.3-50.9-172.24000120.4
103R28.8Very low30.9Very low257 Ų257171.2 Ų171.297%0.9782%0.821SS**  trans-143.8121134.4-70.5-161.5176.6-174.8-2.5110.4
104G30.1Very low30.8Very low76 Ų76174.3 Ų174.378%0.78482%0.82SS**  trans-112.7153.1175.700000112.6
105S27.6Very low30.7Very low135 Ų135174 Ų17494%0.94482%0.822SS**  trans52.2129.4156.5-146.50000120.6
106G29.9Very low30.7Very low76 Ų76172.1 Ų172.178%0.78481%0.814SS**  trans-176.135.5-179.900000117.2
107D31.7Very low30.9Very low139 Ų139171.2 Ų171.274%0.74381%0.813SS**  trans43.5166.3149.7-130.8-21.6000124.9
108E33.8Very low31Very low128 Ų128167.6 Ų167.660%0.59881%0.81SS**  trans76.882.5154.9-63.9-114.4114.600120.7
109R32.7Very low31.2Very low197 Ų197169.6 Ų169.674%0.74381%0.811SS**  45.6121.7111.9-60.3169.2-172.9164.6-7.1119.1
110R35.3Very low31.3Very low258 Ų258171.3 Ų171.397%0.97481%0.812SS**  -151.7145.1123-110.1164-163.8-164.73.6111.7
111R34.3Very low31.6Very low236 Ų236168.5 Ų168.589%0.89181%0.811SS**  trans-102.8167.4-169.1-64.4172.7168.2161.2-6.4111.8
112R29.4Very low31.6Very low231 Ų231170.1 Ų170.187%0.87281%0.81SS**  trans79.9123.2147.9-143.8170.2-150.3-132.22.4114.6
113N30.4Very low31.7Very low143 Ų143170.2 Ų170.277%0.76580%0.803SS**  -152.1157.761.4-154.637.9000113.9
114E32Very low31.9Very low159 Ų159165.7 Ų165.774%0.74379%0.793SS**  trans-103.7-179.6175.9-64.1171.7115.400111.6
115Q29.4Very low32Very low183 Ų183166.2 Ų166.286%0.85579%0.785SS**  trans77.4143.1167.4-57.2179.8-5.500116.3
116S30.8Very low32.4Very low102 Ų102167 Ų16771%0.71378%0.779SS**  cis-154.8147.9-0.618.10000113.8
117E33.8Very low32.9Very low185 Ų185174.6 Ų174.686%0.86478%0.783SS**  trans17.3132.8146.2-39.3-170.5130.400122.8
118D32.4Very low33.6Very low136 Ų136174.4 Ų174.473%0.72779%0.79SS**  134.5157.3100.3-151.910000117.1
119R33.7Very low34.1Very low198 Ų198178.8 Ų178.875%0.74780%0.801SS**  trans81.189.1159.3-58.7-179.8-177.9-169.9-2.8120.4
120R31.9Very low34.9Very low245 Ų245175.9 Ų175.993%0.92580%0.8SS**  169.8136.395.6-92.4158.1-176.7-1701.4113.3
121S36.3Very low35.4Very low115 Ų115175.5 Ų175.580%0.80480%0.798SS**  trans-105.1154.4-179.649.90000112.8
122R30.4Very low36Very low200 Ų200171.8 Ų171.876%0.75579%0.791SS**  trans-173.7134.2141.8-121175.2160.4168.9-1.8115.4
123W30.8Very low37Very low176 Ų176171.3 Ų171.367%0.66779%0.79SS**  trans71.6124.6163-48.2123.8000117.3
124E32.5Very low38Very low161 Ų161171 Ų17175%0.75279%0.788SS**  cis82.9130.448.4-172.5178.3-93.100111.4
125S33.2Very low39Very low88 Ų88173.6 Ų173.662%0.61579%0.791SS**  cis-157.2169.8-2.4-137.50000114.2
126D36.3Very low40.2Very low152 Ų152169.4 Ų169.481%0.81377%0.774SS**  trans67.9150142.1-71.5-55.1000127
127R40.1Very low41.3Very low235 Ų235172.9 Ų172.989%0.88777%0.772SS**  trans-102.9178.7177.9-77.3179.5177.61791.3108.8
128P45.8Very low42.3Very low134 Ų134170 Ų17087%0.8776%0.762SS**  cis-145.5-159.428.342.9-19.2000116.9
129R45.5Very low43.5Very low220 Ų220172.9 Ų172.983%0.8376%0.763SS**  trans-114.9172.6-153.3-133-175.6-162166.11.9113.1
130D47.7Very low44.7Very low136 Ų136169.6 Ų169.673%0.72776%0.756SS**  trans76.881.8155.3-56.5-35.9000119.4
131R46Very low46.1Very low250 Ų250167.3 Ų167.394%0.94375%0.747SS**SBendtrans-155.1-2.3146-115164.1-167.2167.14.6118.1
132E47.6Very low47.5Very low158 Ų158164.8 Ų164.874%0.73873%0.733SS**  trans-98.41.7-168.8-61.3-159.512400117N134 R135E132-N134 PolarHBondContact O-N 3.27Å; E132-R135 PolarHBondContact O-N 3.17Å
133R50.1Low49.2Very low222 Ų222157.8 Ų157.884%0.83872%0.718SS**THydrogen-bonded Turntrans-67.95-167.9-133.7179.9-165-1643.8117.5
134N51.4Low51.1Low137 Ų137154.2 Ų154.273%0.73371%0.712SS**THydrogen-bonded Turntrans-118.1-5.5-178.7-97.4-15.9000115.2E132E132-N134 PolarHBondContact O-N 3.27Å
135R52.6Low53Low213 Ų213149.2 Ų149.280%0.80470%0.698SS**THydrogen-bonded Turntrans-86.5-33.3176.7-104.9178.7175.4164.6-1.1113.7E132E132-R135 PolarHBondContact O-N 3.17Å
136D54.3Low54.9Low95 Ų95148.2 Ų148.251%0.50869%0.691SS.*Hα-helixtrans-75.9-35.9-173.6-62.6-50.3000114.3N138 R139 E140D136-N138 PolarHBondContact O-N 3.1Å; D136-R139 WeakPolarHBondContact O-CA 3.36Å; D136-R139 WeakPolarHBondContact O-CB 3.28Å; D136-R139 PolarHBondContact O-N 2.91Å; D136-E140 PolarHBondContact O-N 3.29Å
137R54.1Low56.5Low174 Ų174146.5 Ų146.566%0.65768%0.678SS**Hα-helixtrans-57.3-34.5179.7-75.5-178.9172.5175.5-3.7113.5R141R137-R141 WeakPolarHBondContact O-CB 3.2Å; R137-R141 PolarHBondContact O-N 3.12Å; R137-R141 VanDerWaalsContact O-N 3.16Å
138N56.7Low58.1Low124 Ų124140.5 Ų140.566%0.66366%0.66SS**Hα-helixtrans-75.5-29.8178.8-154.424000111.6D136 A142D136-N138 PolarHBondContact O-N 3.1Å; N138-A142 PolarHBondContact O-N 2.88Å
139R57.2Low59.4Low198 Ų198140 Ų14075%0.74765%0.646SS**Hα-helixtrans-73.5-41.8177.1-147.3174.6-158.5158.74.8111.6D136 A142 A143D136-R139 WeakPolarHBondContact O-CA 3.36Å; D136-R139 WeakPolarHBondContact O-CB 3.28Å; D136-R139 PolarHBondContact O-N 2.91Å; R139-A142 PolarHBondContact O-N 3Å; R139-A143 WeakPolarHBondContact O-CB 3.43Å; R139-A143 PolarHBondContact O-N 3.03Å
140E57.7Low60.7Low129 Ų129136.2 Ų136.260%0.60364%0.638SS**Hα-helixtrans-63.1-41.3172.4-71.2-175.1132.200112.1D136 A142 A143 L144D136-E140 PolarHBondContact O-N 3.29Å; E140-A142 PolarHBondContact O-N 3.04Å; E140-A143 PolarHBondContact O-N 3.27Å; E140-L144 WeakPolarHBondContact O-CB 3.47Å; E140-L144 WeakPolarHBondContact O-CG 3.47Å; E140-L144 PolarHBondContact O-N 2.96Å
141R60.9Low61.9Low197 Ų197137.8 Ų137.874%0.74363%0.634SS**Hα-helixtrans-65.2-38.7179.2-162.8174.3-167.2-122.21.9112.5R137 A145R137-R141 WeakPolarHBondContact O-CB 3.2Å; R137-R141 PolarHBondContact O-N 3.12Å; R137-R141 VanDerWaalsContact O-N 3.16Å; R141-A145 PolarHBondContact O-N 2.79Å; R141-A145 VanDerWaalsContact O-N 3.12Å
142A65.8Low63.4Low61 Ų61133.7 Ų133.750%0.50462%0.618SS.*Hα-helixtrans-65.8-43.8173.400000112.1N138 R139 E140 L144 A145 S146N138-A142 PolarHBondContact O-N 2.88Å; R139-A142 PolarHBondContact O-N 3Å; E140-A142 PolarHBondContact O-N 3.04Å; A142-L144 VanDerWaalsContact C-N 3.35Å; A142-L144 PolarHBondContact O-N 3.07Å; A142-A145 PolarHBondContact O-N 3.3Å; A142-S146 PolarHBondContact O-N 3Å; A142-S146 VanDerWaalsContact O-N 3.07Å; A142-S146 PolarHBondContact O-OG 3.48Å
143A67.1Low64.7Low53 Ų53131 Ų13144%0.43861%0.605SS.*Hα-helixtrans-64.9-35.7177.700000113.1R139 E140 S146 Q147R139-A143 WeakPolarHBondContact O-CB 3.43Å; R139-A143 PolarHBondContact O-N 3.03Å; E140-A143 PolarHBondContact O-N 3.27Å; A143-S146 PolarHBondContact O-OG 3.42Å; A143-Q147 VanDerWaalsContact O-CB 3.29Å; A143-Q147 WeakPolarHBondContact O-CB 3.35Å; A143-Q147 PolarHBondContact O-N 3.02Å; A143-Q147 VanDerWaalsContact O-N 3.13Å
144L70.1Confident65.8Low102 Ų102126.2 Ų126.253%0.53459%0.593SS.*Hα-helixtrans-67.9-37.7173.3-82.4161.2000112.3E140 A142 Q148E140-L144 WeakPolarHBondContact O-CB 3.47Å; E140-L144 WeakPolarHBondContact O-CG 3.47Å; E140-L144 PolarHBondContact O-N 2.96Å; A142-L144 VanDerWaalsContact C-N 3.35Å; A142-L144 PolarHBondContact O-N 3.07Å; L144-Q148 WeakPolarHBondContact O-CG 3.15Å; L144-Q148 PolarHBondContact O-N 3.35Å
145A73.1Confident67.1Low56 Ų56123.4 Ų123.446%0.46358%0.577SS.*Hα-helixtrans-64.5-50.6176.400000111.5R141 A142 Q147 Q148 E149R141-A145 PolarHBondContact O-N 2.79Å; R141-A145 VanDerWaalsContact O-N 3.12Å; A142-A145 PolarHBondContact O-N 3.3Å; A145-Q147 VanDerWaalsContact C-N 3.28Å; A145-Q147 PolarHBondContact O-N 3.37Å; A145-Q148 PolarHBondContact O-N 3.08Å; A145-Q148 VanDerWaalsContact O-N 3.15Å; A145-E149 PolarHBondContact O-N 2.57Å
146S72.1Confident68.3Low67 Ų67117.3 Ų117.347%0.46956%0.561SS.*Hα-helixtrans-60.7-37.4177.958.80000112.3A142 A143 E149 E150A142-S146 PolarHBondContact O-N 3Å; A142-S146 VanDerWaalsContact O-N 3.07Å; A142-S146 PolarHBondContact O-OG 3.48Å; A143-S146 PolarHBondContact O-OG 3.42Å; S146-E149 PolarHBondContact O-N 2.99Å; S146-E150 WeakPolarHBondContact O-CB 3.45Å; S146-E150 PolarHBondContact O-N 3.37Å
147Q70.8Confident69.4Low115 Ų115120.7 Ų120.754%0.53757%0.566SS.*Hα-helixtrans-74.1-24.1179.3-160.7179100.400113.5A143 A145 R151A143-Q147 VanDerWaalsContact O-CB 3.29Å; A143-Q147 WeakPolarHBondContact O-CB 3.35Å; A143-Q147 PolarHBondContact O-N 3.02Å; A143-Q147 VanDerWaalsContact O-N 3.13Å; A145-Q147 VanDerWaalsContact C-N 3.28Å; A145-Q147 PolarHBondContact O-N 3.37Å; Q147-R151 WeakPolarHBondContact O-CB 3.1Å; Q147-R151 PolarHBondContact O-N 2.88Å
148Q73.8Confident70.3Confident110 Ų110121 Ų12151%0.51457%0.568SS.*Hα-helixtrans-76.3-38.6168.4-75.4-173.618.500111.8L144 A145 R151 R152L144-Q148 WeakPolarHBondContact O-CG 3.15Å; L144-Q148 PolarHBondContact O-N 3.35Å; A145-Q148 PolarHBondContact O-N 3.08Å; A145-Q148 VanDerWaalsContact O-N 3.15Å; Q148-R151 PolarHBondContact O-N 2.93Å; Q148-R152 WeakPolarHBondContact O-CG 3.47Å; Q148-R152 PolarHBondContact O-N 2.92Å
149E73.9Confident71.2Confident124 Ų124123.1 Ų123.158%0.57957%0.566SS**Hα-helixtrans-68.2-44-179.9-166.8162.2-133.400111.9A145 S146 R151 R152 Q153A145-E149 PolarHBondContact O-N 2.57Å; S146-E149 PolarHBondContact O-N 2.99Å; E149-R151 VanDerWaalsContact C-N 3.28Å; E149-R151 PolarHBondContact O-N 2.77Å; E149-R152 PolarHBondContact O-N 3.16Å; E149-Q153 WeakPolarHBondContact O-CG 3.2Å; E149-Q153 PolarHBondContact O-N 3.29Å
150E71.8Confident72.1Confident139 Ų139119.8 Ų119.865%0.6556%0.559SS**Hα-helixtrans-60-37.7172.7-171177.8-144.400111.9S146 H154S146-E150 WeakPolarHBondContact O-CB 3.45Å; S146-E150 PolarHBondContact O-N 3.37Å; E150-H154 WeakPolarHBondContact O-CB 3.39Å; E150-H154 PolarHBondContact O-N 3.46Å
151R71.9Confident72.8Confident170 Ų170118.9 Ų118.964%0.64256%0.558SS**Hα-helixtrans-68.9-40.2175.7-168.4179.4-65.4-121.73.6112.3Q147 Q148 E149 H154 D155Q147-R151 WeakPolarHBondContact O-CB 3.1Å; Q147-R151 PolarHBondContact O-N 2.88Å; Q148-R151 PolarHBondContact O-N 2.93Å; E149-R151 VanDerWaalsContact C-N 3.28Å; E149-R151 PolarHBondContact O-N 2.77Å; R151-H154 PolarHBondContact O-N 2.8Å; R151-D155 PolarHBondContact O-N 2.79Å
152R78.3Confident73.4Confident164 Ų164117.3 Ų117.362%0.61955%0.552SS**Hα-helixtrans-61.6-49.5173.2-72.7175.2-173.1-172.53111Q148 E149 H154 D155 D156Q148-R152 WeakPolarHBondContact O-CG 3.47Å; Q148-R152 PolarHBondContact O-N 2.92Å; E149-R152 PolarHBondContact O-N 3.16Å; R152-H154 PolarHBondContact O-N 2.89Å; R152-D155 PolarHBondContact O-N 2.84Å; R152-D156 WeakPolarHBondContact O-CB 3.48Å; R152-D156 VanDerWaalsContact O-CG 3.31Å; R152-D156 PolarHBondContact O-N 2.92Å
153Q75.2Confident73.8Confident101 Ų101120 Ų12047%0.47256%0.555SS.*Hα-helixtrans-57.6-36.9176.4-69.3179.628.600112.7E149 R157E149-Q153 WeakPolarHBondContact O-CG 3.2Å; E149-Q153 PolarHBondContact O-N 3.29Å; Q153-R157 WeakPolarHBondContact O-CB 3.33Å; Q153-R157 VanDerWaalsContact O-CG 3.25Å; Q153-R157 WeakPolarHBondContact O-CG 2.96Å; Q153-R157 PolarHBondContact O-N 2.83Å
154H74Confident73.9Confident122 Ų122123.9 Ų123.957%0.56556%0.558SS**Hα-helixtrans-68.3-42.5174.9-177.6-78.7000112.4E150 R151 R152 R158E150-H154 WeakPolarHBondContact O-CB 3.39Å; E150-H154 PolarHBondContact O-N 3.46Å; R151-H154 PolarHBondContact O-N 2.8Å; R152-H154 PolarHBondContact O-N 2.89Å; H154-R158 WeakPolarHBondContact O-CB 3.38Å; H154-R158 PolarHBondContact O-N 2.84Å
155D77.3Confident73.7Confident77 Ų77126.1 Ų126.141%0.41256%0.559SS.*Hα-helixtrans-70.6-34.8177.8-72.9-26.7000112.3R151 R152 R158 R159R151-D155 PolarHBondContact O-N 2.79Å; R152-D155 PolarHBondContact O-N 2.84Å; D155-R158 WeakPolarHBondContact O-CB 3.43Å; D155-R158 PolarHBondContact O-N 3.21Å; D155-R159 WeakPolarHBondContact O-CG 3.08Å; D155-R159 PolarHBondContact O-N 2.9Å
156D78.4Confident73.3Confident86 Ų86127.7 Ų127.746%0.4656%0.557SS.*Hα-helixtrans-68.7-46.2174.8-68.6-33.5000111.1R152 R158 R159 E160R152-D156 WeakPolarHBondContact O-CB 3.48Å; R152-D156 VanDerWaalsContact O-CG 3.31Å; R152-D156 PolarHBondContact O-N 2.92Å; D156-R158 PolarHBondContact O-N 2.99Å; D156-R159 CarbonylContact O-C 3.47Å; D156-R159 WeakPolarHBondContact O-CA 3.46Å; D156-R159 WeakPolarHBondContact O-CB 3.36Å; D156-R159 PolarHBondContact O-N 2.91Å; D156-E160 WeakPolarHBondContact O-CB 3.35Å; D156-E160 PolarHBondContact O-N 2.91Å
157R77.9Confident72.7Confident165 Ų165130.5 Ų130.562%0.62356%0.563SS**Hα-helixtrans-58.3-33.2170.1-74.1177.2-164.9-171.87.8112.5Q153 N161Q153-R157 WeakPolarHBondContact O-CB 3.33Å; Q153-R157 VanDerWaalsContact O-CG 3.25Å; Q153-R157 WeakPolarHBondContact O-CG 2.96Å; Q153-R157 PolarHBondContact O-N 2.83Å; R157-N161 WeakPolarHBondContact O-CB 3.16Å; R157-N161 PolarHBondContact O-N 3.07Å
158R72.1Confident72.1Confident182 Ų182129.5 Ų129.569%0.68756%0.558SS**Hα-helixtrans-73.9-28.2176.7-165.1179.2-174-155.70.6112.4H154 D155 D156 R162H154-R158 WeakPolarHBondContact O-CB 3.38Å; H154-R158 PolarHBondContact O-N 2.84Å; D155-R158 WeakPolarHBondContact O-CB 3.43Å; D155-R158 PolarHBondContact O-N 3.21Å; D156-R158 PolarHBondContact O-N 2.99Å; R158-R162 WeakPolarHBondContact O-CB 3.44Å; R158-R162 PolarHBondContact O-N 2.9Å
159R76.6Confident71.2Confident168 Ų168128.3 Ų128.363%0.63455%0.552SS**Hα-helixtrans-75.3-47.6170.7-74.9172.3170.7-170.1-4.6111.4D155 D156 N161 R162 Q163D155-R159 WeakPolarHBondContact O-CG 3.08Å; D155-R159 PolarHBondContact O-N 2.9Å; D156-R159 CarbonylContact O-C 3.47Å; D156-R159 WeakPolarHBondContact O-CA 3.46Å; D156-R159 WeakPolarHBondContact O-CB 3.36Å; D156-R159 PolarHBondContact O-N 2.91Å; R159-N161 PolarHBondContact O-N 3.43Å; R159-R162 CarbonylContact O-C 3.55Å; R159-R162 WeakPolarHBondContact O-CA 3.12Å; R159-R162 WeakPolarHBondContact O-CB 3.43Å; R159-R162 PolarHBondContact O-N 2.94Å; R159-Q163 PolarHBondContact O-N 3.39Å
160E75.1Confident70.3Confident127 Ų127127.3 Ų127.359%0.59356%0.555SS**Hα-helixtrans-56.9-49175.4-176.5-177.1-163.500110.9D156 R162 Q163 R164D156-E160 WeakPolarHBondContact O-CB 3.35Å; D156-E160 PolarHBondContact O-N 2.91Å; E160-R162 PolarHBondContact O-N 3.22Å; E160-Q163 PolarHBondContact O-N 2.99Å; E160-R164 VanDerWaalsContact O-CB 3.26Å; E160-R164 WeakPolarHBondContact O-CB 3.46Å; E160-R164 PolarHBondContact O-N 3.03Å
161N73.3Confident69.4Low110 Ų110128.4 Ų128.459%0.58856%0.56SS**Hα-helixtrans-71.4-10.8177.2-157.842.1000113.6R157 R159 R165R157-N161 WeakPolarHBondContact O-CB 3.16Å; R157-N161 PolarHBondContact O-N 3.07Å; R159-N161 PolarHBondContact O-N 3.43Å; N161-R165 WeakPolarHBondContact O-CB 3.43Å
162R73.5Confident68.4Low164 Ų164128.2 Ų128.262%0.61957%0.566SS**Hα-helixtrans-87.7-45.3169.4-173.8-176.9-175.4157.611.2110.8R158 R159 E160 R165 E166R158-R162 WeakPolarHBondContact O-CB 3.44Å; R158-R162 PolarHBondContact O-N 2.9Å; R159-R162 CarbonylContact O-C 3.55Å; R159-R162 WeakPolarHBondContact O-CA 3.12Å; R159-R162 WeakPolarHBondContact O-CB 3.43Å; R159-R162 PolarHBondContact O-N 2.94Å; E160-R162 PolarHBondContact O-N 3.22Å; R162-R165 CarbonylContact O-C 3.53Å; R162-R165 PolarHBondContact O-N 2.62Å; R162-R165 VanDerWaalsContact O-N 3.11Å; R162-E166 WeakPolarHBondContact CD-OE1 3.33Å; R162-E166 VanDerWaalsContact CG-OE1 3.31Å; R162-E166 WeakPolarHBondContact CG-OE1 3.49Å; R162-E166 IonicContact CZ-OE1 3.71Å; R162-E166 IonicContact NE-OE1 2.81Å; R162-E166 PolarHBondContact NE-OE1 2.91Å; R162-E166 IonicContact NH2-OE1 3.84Å; R162-E166 WeakPolarHBondContact O-CB 3.47Å; R162-E166 WeakPolarHBondContact O-CG 3.44Å; R162-E166 PolarHBondContact O-N 2.86Å
163Q72.9Confident66.9Low118 Ų118128.1 Ų128.155%0.55157%0.573SS**Hα-helixtrans-59.4-46.8173.2-74.5178.7-49.600110.7R159 E160 R165 E166 E167R159-Q163 PolarHBondContact O-N 3.39Å; E160-Q163 PolarHBondContact O-N 2.99Å; Q163-R165 PolarHBondContact O-N 3.25Å; Q163-E166 CarbonylContact O-C 3.48Å; Q163-E166 PolarHBondContact O-N 2.93Å; Q163-E167 WeakPolarHBondContact O-CB 3.49Å; Q163-E167 WeakPolarHBondContact O-CG 3.17Å; Q163-E167 PolarHBondContact O-N 3.07Å
164R70.8Confident65.5Low134 Ų134129.4 Ų129.451%0.50658%0.582SS.*Hα-helixtrans-59.1-31174.6-166.5174.7-178.4-65.9-21.8113E160 E168E160-R164 VanDerWaalsContact O-CB 3.26Å; E160-R164 WeakPolarHBondContact O-CB 3.46Å; E160-R164 PolarHBondContact O-N 3.03Å; R164-E168 IonicContact CZ-OE1 3.2Å; R164-E168 IonicContact NH1-OE1 3.75Å; R164-E168 PolarHBondContact NH1-OE1 2.84Å; R164-E168 IonicContact NH1-OE2 3.62Å; R164-E168 IonicContact NH2-OE1 3.76Å; R164-E168 PolarHBondContact NH2-OE1 3.4Å; R164-E168 VanDerWaalsContact NH2-OE1 3.12Å; R164-E168 WeakPolarHBondContact O-CB 3.49Å; R164-E168 VanDerWaalsContact O-CG 3.25Å; R164-E168 WeakPolarHBondContact O-CG 3.16Å; R164-E168 PolarHBondContact O-N 2.99Å
165R65.2Low64.1Low150 Ų150133.3 Ų133.357%0.56660%0.598SS**Hα-helixtrans-81.6-31.7175.5-168.2173.9-177.3-72.4-15.5112.6N161 R162 Q163 E169N161-R165 WeakPolarHBondContact O-CB 3.43Å; R162-R165 CarbonylContact O-C 3.53Å; R162-R165 PolarHBondContact O-N 2.62Å; R162-R165 VanDerWaalsContact O-N 3.11Å; Q163-R165 PolarHBondContact O-N 3.25Å; R165-E169 IonicContact CZ-OE1 2.87Å; R165-E169 IonicContact NH1-OE1 2.71Å; R165-E169 PolarHBondContact NH1-OE1 2.93Å; R165-E169 IonicContact NH2-OE1 2.69Å; R165-E169 PolarHBondContact NH2-OE1 2.84Å; R165-E169 VanDerWaalsContact O-CB 3.31Å; R165-E169 WeakPolarHBondContact O-CB 3.38Å; R165-E169 VanDerWaalsContact O-CG 3.31Å; R165-E169 WeakPolarHBondContact O-CG 3.42Å; R165-E169 PolarHBondContact O-N 3.3Å
166E64.1Low62.8Low88 Ų88132.9 Ų132.941%0.41161%0.612SS.*Hα-helixtrans-73.4-30.8171.6-72.4165.7-172.400110.6R162 Q163 V170R162-E166 WeakPolarHBondContact CD-OE1 3.33Å; R162-E166 VanDerWaalsContact CG-OE1 3.31Å; R162-E166 WeakPolarHBondContact CG-OE1 3.49Å; R162-E166 IonicContact CZ-OE1 3.71Å; R162-E166 IonicContact NE-OE1 2.81Å; R162-E166 PolarHBondContact NE-OE1 2.91Å; R162-E166 IonicContact NH2-OE1 3.84Å; R162-E166 WeakPolarHBondContact O-CB 3.47Å; R162-E166 WeakPolarHBondContact O-CG 3.44Å; R162-E166 PolarHBondContact O-N 2.86Å; Q163-E166 CarbonylContact O-C 3.48Å; Q163-E166 PolarHBondContact O-N 2.93Å; E166-V170 WeakPolarHBondContact O-CB 3.47Å; E166-V170 WeakPolarHBondContact O-CG2 3.41Å; E166-V170 PolarHBondContact O-N 3.36Å
167E61Low61.5Low127 Ų127134.5 Ų134.559%0.59363%0.625SS**Hα-helixtrans-71.7-45.2169.6-73.6169.1178.700111.6Q163 E169 V170 E171Q163-E167 WeakPolarHBondContact O-CB 3.49Å; Q163-E167 WeakPolarHBondContact O-CG 3.17Å; Q163-E167 PolarHBondContact O-N 3.07Å; E167-E169 PolarHBondContact O-N 2.83Å; E167-V170 PolarHBondContact O-N 2.69Å; E167-V170 VanDerWaalsContact O-N 3.13Å; E167-E171 PolarHBondContact O-N 3.03Å
168E58.1Low59.6Low94 Ų94132.2 Ų132.244%0.43963%0.634SS.*Hα-helixtrans-61.9-39.3171.8-77.5171172.600111.7R164 V170 E171 E172R164-E168 IonicContact CZ-OE1 3.2Å; R164-E168 IonicContact NH1-OE1 3.75Å; R164-E168 PolarHBondContact NH1-OE1 2.84Å; R164-E168 IonicContact NH1-OE2 3.62Å; R164-E168 IonicContact NH2-OE1 3.76Å; R164-E168 PolarHBondContact NH2-OE1 3.4Å; R164-E168 VanDerWaalsContact NH2-OE1 3.12Å; R164-E168 WeakPolarHBondContact O-CB 3.49Å; R164-E168 VanDerWaalsContact O-CG 3.25Å; R164-E168 WeakPolarHBondContact O-CG 3.16Å; R164-E168 PolarHBondContact O-N 2.99Å; E168-V170 VanDerWaalsContact C-N 3.33Å; E168-V170 PolarHBondContact O-N 3.2Å; E168-E171 PolarHBondContact O-N 2.87Å; E168-E172 PolarHBondContact O-N 3.01Å
169E54.4Low58.3Low84 Ų84131.5 Ų131.539%0.39364%0.644SS.*Hα-helixtrans-68.1-27.8172.8-78.5174.5-177.400112.5R165 E167 H173R165-E169 IonicContact CZ-OE1 2.87Å; R165-E169 IonicContact NH1-OE1 2.71Å; R165-E169 PolarHBondContact NH1-OE1 2.93Å; R165-E169 IonicContact NH2-OE1 2.69Å; R165-E169 PolarHBondContact NH2-OE1 2.84Å; R165-E169 VanDerWaalsContact O-CB 3.31Å; R165-E169 WeakPolarHBondContact O-CB 3.38Å; R165-E169 VanDerWaalsContact O-CG 3.31Å; R165-E169 WeakPolarHBondContact O-CG 3.42Å; R165-E169 PolarHBondContact O-N 3.3Å; E167-E169 PolarHBondContact O-N 2.83Å; E169-H173 WeakPolarHBondContact O-CB 3.16Å; E169-H173 PolarHBondContact O-CD2 2.94Å; E169-H173 VanDerWaalsContact O-CD2 3.29Å; E169-H173 PolarHBondContact O-N 2.97Å
170V55.6Low56.9Low104 Ų104127 Ų12763%0.6365%0.65SS**Hα-helixtrans-79.4-35.8174.2166.50000112.5E166 E167 E168 H173 N174E166-V170 WeakPolarHBondContact O-CB 3.47Å; E166-V170 WeakPolarHBondContact O-CG2 3.41Å; E166-V170 PolarHBondContact O-N 3.36Å; E167-V170 PolarHBondContact O-N 2.69Å; E167-V170 VanDerWaalsContact O-N 3.13Å; E168-V170 VanDerWaalsContact C-N 3.33Å; E168-V170 PolarHBondContact O-N 3.2Å; V170-H173 PolarHBondContact O-N 2.74Å; V170-N174 PolarHBondContact O-N 2.97Å
171E51.2Low55.3Low161 Ų161124.7 Ų124.775%0.75266%0.661SS**Hα-helixtrans-70.1-39.5172.6-74.4-155.3144.200112.3E167 E168 H173 N174E167-E171 PolarHBondContact O-N 3.03Å; E168-E171 PolarHBondContact O-N 2.87Å; E171-H173 PolarHBondContact O-N 3.35Å; E171-N174 PolarHBondContact O-N 2.82Å; E171-N174 VanDerWaalsContact O-N 3.1Å
172E50.8Low54.3Low167 Ų167125.5 Ų125.578%0.7868%0.675SS**Hα-helixtrans-63.7-29.8172.7-78.8-160.8150.200112.5E168 N174E168-E172 PolarHBondContact O-N 3.01Å; E172-N174 VanDerWaalsContact C-N 3.27Å; E172-N174 PolarHBondContact O-N 2.97Å
173H48.4Very low52.7Low162 Ų162124 Ų12475%0.7568%0.68SS**THydrogen-bonded Turntrans-76.7-6.2174.7-95.1-64.6000114.9E169 V170 E171E169-H173 WeakPolarHBondContact O-CB 3.16Å; E169-H173 PolarHBondContact O-CD2 2.94Å; E169-H173 VanDerWaalsContact O-CD2 3.29Å; E169-H173 PolarHBondContact O-N 2.97Å; V170-H173 PolarHBondContact O-N 2.74Å; E171-H173 PolarHBondContact O-N 3.35Å
174N44.7Very low51.7Low127 Ų127126.6 Ų126.668%0.67970%0.697SS**THydrogen-bonded Turntrans-99.62.3-177.5-143.825.9000114.5V170 E171 E172 G176V170-N174 PolarHBondContact O-N 2.97Å; E171-N174 PolarHBondContact O-N 2.82Å; E171-N174 VanDerWaalsContact O-N 3.1Å; E172-N174 VanDerWaalsContact C-N 3.27Å; E172-N174 PolarHBondContact O-N 2.97Å; N174-G176 VanDerWaalsContact C-N 3.3Å; N174-G176 PolarHBondContact O-N 3.46Å
175F45.6Very low51Low204 Ų204124.3 Ų124.390%0.89570%0.702SS**THydrogen-bonded Turntrans-86.962.7169.8-159.7-94.2000111.6
176G48.9Very low50.6Low68 Ų68128.4 Ų128.470%0.70172%0.717SS**THydrogen-bonded Turntrans179.58.4-176.700000119.3N174N174-G176 VanDerWaalsContact C-N 3.3Å; N174-G176 PolarHBondContact O-N 3.46Å
177T51.6Low50.5Low120 Ų120129.7 Ų129.774%0.73673%0.733SS**  trans-13059.5-176.4-22.60000112.9
178S38.6Very low50.8Low117 Ų117129.1 Ų129.182%0.81874%0.74SS**  trans-93.1112.3157.657.50000109.1
179D44.7Very low51.3Low167 Ų167130.3 Ų130.389%0.89376%0.756SS**  trans-63.4146.9173.6-173.828.2000111.7
180G45.9Very low52.1Low73 Ų73130.9 Ų130.975%0.75378%0.775SS**  trans66.293.5169.300000118.2
181G41.8Very low53Low80 Ų80134.1 Ų134.183%0.82578%0.783SS**  trans-179.3112.3165.700000114.2
182S51.6Low54.2Low126 Ų126136 Ų13688%0.88179%0.789SS**  trans-77.3119.2176.753.20000112.5
183D40.1Very low55.5Low134 Ų134137 Ų13772%0.71779%0.794SS**  trans-149.3114154-173.114.1000110.4S185D183-S185 VanDerWaalsContact C-N 3.3Å; D183-S185 PolarHBondContact O-N 2.98Å; D183-S185 WeakPolarHBondContact OD1-CB 3.34Å; D183-S185 PolarHBondContact OD1-OG 2.85Å
184D52.6Low57.3Low171 Ų171137.8 Ų137.891%0.91480%0.795SS**  trans-94.556.4-171.6-156.23.4000110.5
185S56.1Low59.2Low87 Ų87136.5 Ų136.561%0.60879%0.793SS**  trans-136.337.4-166.5-60.20000114.2D183D183-S185 VanDerWaalsContact C-N 3.3Å; D183-S185 PolarHBondContact O-N 2.98Å; D183-S185 WeakPolarHBondContact OD1-CB 3.34Å; D183-S185 PolarHBondContact OD1-OG 2.85Å
186R57.2Low60.9Low236 Ų236132.2 Ų132.289%0.89178%0.78SS**  trans-106.2127.7164.6-87.5-176.3173.9-178.1-0.4110.7
187P62.3Low62.5Low115 Ų115137.8 Ų137.875%0.74779%0.785SS**PPolyproline II helixtrans-59.9143.3169.127.4-33.5000109
188P66.8Low64Low114 Ų114139.2 Ų139.274%0.7478%0.783SS**PPolyproline II helixtrans-57.9142.5-175.423.3-33.5000110.5A190P188-A190 PolarHBondContact O-N 2.88Å; P188-A190 VanDerWaalsContact O-N 3.07Å
189P68Low66.1Low120 Ų120142.1 Ų142.178%0.77979%0.789SS**PPolyproline II helixtrans-59.4119-177.624.9-33.6000109.1E191P189-E191 PolarHBondContact O-N 2.87Å; P189-E191 VanDerWaalsContact O-N 3.1Å
190A71.9Confident67.5Low95 Ų95138.4 Ų138.479%0.78578%0.776SS**PPolyproline II helixtrans-52.4120.6-177.900000109.9P188 K192P188-A190 PolarHBondContact O-N 2.88Å; P188-A190 VanDerWaalsContact O-N 3.07Å; A190-K192 PolarHBondContact O-N 2.74Å; A190-K192 VanDerWaalsContact O-N 3.15Å
191E74.1Confident69.1Low173 Ų173136.9 Ų136.981%0.80876%0.761SS**PPolyproline II helixtrans-56123.1180-66.8-171.9-174.200108.9P189 E193P189-E191 PolarHBondContact O-N 2.87Å; P189-E191 VanDerWaalsContact O-N 3.1Å; E191-E193 PolarHBondContact O-N 2.74Å
192K76.4Confident70.9Confident201 Ų201135.4 Ų135.487%0.87474%0.741SS**  trans-57.3114.3179.6-67.9179.5-179.51770108.3A190 K194A190-K192 PolarHBondContact O-N 2.74Å; A190-K192 VanDerWaalsContact O-N 3.15Å; K192-K194 PolarHBondContact O-N 3.47Å; K192-K194 VanDerWaalsContact O-N 3.15Å
193E77.4Confident72.1Confident188 Ų188135.4 Ų135.488%0.87973%0.73SS**PPolyproline II helixtrans-52.1123.6-177.4-69.7-172.9158.900109.9E191E191-E193 PolarHBondContact O-N 2.74Å
194K86.3Confident73.8Confident177 Ų177132.9 Ų132.977%0.7772%0.72SS**PPolyproline II helixtrans-63.7143.2177.5-67.9169-175.51630108K192 N196K192-K194 PolarHBondContact O-N 3.47Å; K192-K194 VanDerWaalsContact O-N 3.15Å; K194-N196 PolarHBondContact O-N 2.76Å
195P85.6Confident75Confident100 Ų100129.9 Ų129.965%0.64970%0.7SS**PPolyproline II helixtrans-53.7117.9178.8-25.233.6000110.6F197P195-F197 HydrophobicContact CB-CD2 4.5Å; P195-F197 HydrophobicContact CB-CE2 3.86Å; P195-F197 HydrophobicContact CB-CZ 3.99Å; P195-F197 WeakPolarHBondContact O-CD2 3.42Å; P195-F197 WeakPolarHBondContact O-CE2 3.47Å; P195-F197 PolarHBondContact O-N 3.42Å
196N80.2Confident76.2Confident114 Ų114132.3 Ų132.361%0.6171%0.706SS**PPolyproline II helixtrans-76.5117.2175.9-167.1-2.9000109K194 E198K194-N196 PolarHBondContact O-N 2.76Å; N196-E198 PolarHBondContact ND2-OE2 2.84Å; N196-E198 WeakPolarHBondContact OD1-CB 3.31Å; N196-E198 WeakPolarHBondContact OD1-CG 3.39Å; N196-E198 PolarHBondContact OD1-N 2.83Å; N196-E198 PolarHBondContact OD1-OE2 2.97Å
197F82.8Confident77.4Confident186 Ų186126.2 Ų126.282%0.81670%0.695SS**  trans-96.36176.5-66.2-79000112.9P195P195-F197 HydrophobicContact CB-CD2 4.5Å; P195-F197 HydrophobicContact CB-CE2 3.86Å; P195-F197 HydrophobicContact CB-CZ 3.99Å; P195-F197 WeakPolarHBondContact O-CD2 3.42Å; P195-F197 WeakPolarHBondContact O-CE2 3.47Å; P195-F197 PolarHBondContact O-N 3.42Å
198E84.2Confident78.3Confident149 Ų149122.4 Ų122.470%0.69667%0.669SS**SBendtrans-63.7152.9170.2-67.9171.5158.300111.3N196 S200N196-E198 PolarHBondContact ND2-OE2 2.84Å; N196-E198 WeakPolarHBondContact OD1-CB 3.31Å; N196-E198 WeakPolarHBondContact OD1-CG 3.39Å; N196-E198 PolarHBondContact OD1-N 2.83Å; N196-E198 PolarHBondContact OD1-OE2 2.97Å; E198-S200 PolarHBondContact O-N 2.8Å; E198-S200 VanDerWaalsContact O-N 3.08Å
199L82.4Confident79.1Confident178 Ų178120.6 Ų120.693%0.93266%0.655SS**  trans-69.2108-179.1-65.8170.1000109.9G201L199-G201 PolarHBondContact O-N 2.66Å
200S74.6Confident79.7Confident90 Ų90119 Ų11963%0.62964%0.636SS**  trans-60.1119.8172.755.50000110.2E198 A202E198-S200 PolarHBondContact O-N 2.8Å; E198-S200 VanDerWaalsContact O-N 3.08Å; S200-A202 PolarHBondContact O-N 3.39Å
201G78.6Confident80.2Confident41 Ų41122.1 Ų122.142%0.42363%0.628SS.*THydrogen-bonded Turntrans-58-21.3-172.100000114.9L199 L203 T204 E205L199-G201 PolarHBondContact O-N 2.66Å; G201-L203 PolarHBondContact O-N 2.9Å; G201-T204 WeakPolarHBondContact O-CA 3.23Å; G201-T204 PolarHBondContact O-N 3.26Å; G201-T204 PolarHBondContact O-OG1 2.96Å; G201-E205 WeakPolarHBondContact O-CG 3.47Å; G201-E205 PolarHBondContact O-N 2.86Å
202A79.3Confident80.6Confident49 Ų49116.9 Ų116.941%0.40562%0.62SS.*Hα-helixtrans-42.9-42.2-17800000114.5S200 T204 E205 D206S200-A202 PolarHBondContact O-N 3.39Å; A202-T204 VanDerWaalsContact C-N 3.29Å; A202-T204 PolarHBondContact O-N 2.96Å; A202-E205 WeakPolarHBondContact O-CB 3.47Å; A202-E205 PolarHBondContact O-N 3.01Å; A202-E205 VanDerWaalsContact O-N 3.13Å; A202-D206 PolarHBondContact O-N 2.93Å
203L77.6Confident81Confident126 Ų126108.6 Ų108.666%0.6659%0.586SS**Hα-helixtrans-63.2-33.6178.7-71.6175.6000113.5G201 T207G201-L203 PolarHBondContact O-N 2.9Å; L203-T207 WeakPolarHBondContact O-CB 3.23Å; L203-T207 PolarHBondContact O-N 3.42Å; L203-T207 PolarHBondContact O-OG1 3.45Å
204T74.9Confident81.5Confident81 Ų81101.7 Ų101.750%0.49756%0.557SS.*Hα-helixtrans-78.9-30.4175.863.50000111.4G201 A202 N208G201-T204 WeakPolarHBondContact O-CA 3.23Å; G201-T204 PolarHBondContact O-N 3.26Å; G201-T204 PolarHBondContact O-OG1 2.96Å; A202-T204 VanDerWaalsContact C-N 3.29Å; A202-T204 PolarHBondContact O-N 2.96Å; T204-N208 WeakPolarHBondContact O-CB 3.42Å; T204-N208 PolarHBondContact O-N 2.86Å
205E79.1Confident81.7Confident107 Ų10795.2 Ų95.250%0.553%0.53SS..Hα-helixtrans-63.8-49.8171.6-45.4-156.2132.700110.9G201 A202 T207 T209 V214G201-E205 WeakPolarHBondContact O-CG 3.47Å; G201-E205 PolarHBondContact O-N 2.86Å; A202-E205 WeakPolarHBondContact O-CB 3.47Å; A202-E205 PolarHBondContact O-N 3.01Å; A202-E205 VanDerWaalsContact O-N 3.13Å; E205-T207 VanDerWaalsContact C-N 3.33Å; E205-T207 PolarHBondContact O-N 3.43Å; E205-T209 VanDerWaalsContact O-CB 3.24Å; E205-T209 WeakPolarHBondContact O-CB 3.43Å; E205-T209 PolarHBondContact O-N 2.87Å; E205-T209 VanDerWaalsContact O-N 3.17Å; E205-T209 PolarHBondContact O-OG1 2.69Å; E205-V214 HydrophobicContact CB-CG2 3.92Å; E205-V214 HydrophobicContact CG-CG2 3.86Å
206D80Confident81.9Confident139 Ų13997.4 Ų97.474%0.74353%0.529SS*.Hα-helixtrans-62.8-37.2179-75.1-22.4000112.8A202A202-D206 PolarHBondContact O-N 2.93Å
207T82.7Confident82.4Confident108 Ų10893.3 Ų93.366%0.66351%0.506SS*.Hα-helixtrans-82.4-39.3-175.7-51.90000112.7L203 E205L203-T207 WeakPolarHBondContact O-CB 3.23Å; L203-T207 PolarHBondContact O-N 3.42Å; L203-T207 PolarHBondContact O-OG1 3.45Å; E205-T207 VanDerWaalsContact C-N 3.33Å; E205-T207 PolarHBondContact O-N 3.43Å
208N81.4Confident82.8Confident34 Ų3489 Ų8918%0.18249%0.491CS..Hα-helixtrans-118.719.2-166.9-69.7-12.2000114.4T204 F210 V214 I215 N218T204-N208 WeakPolarHBondContact O-CB 3.42Å; T204-N208 PolarHBondContact O-N 2.86Å; N208-F210 PolarHBondContact O-N 2.91Å; N208-V214 HydrophobicContact CB-CG1 4.44Å; N208-I215 WeakPolarHBondContact CB-O 3.19Å; N208-I215 PolarHBondContact ND2-O 2.83Å; N208-I215 PolarHBondContact O-N 2.97Å; N208-N218 PolarHBondContact ND2-OD1 3.05Å
209T83.8Confident83.1Confident76 Ų7686.5 Ų86.547%0.46648%0.48SS..EExtended strand (participates in β ladder)trans-72.8114.7174.2-74.40000111.7E205E205-T209 VanDerWaalsContact O-CB 3.24Å; E205-T209 WeakPolarHBondContact O-CB 3.43Å; E205-T209 PolarHBondContact O-N 2.87Å; E205-T209 VanDerWaalsContact O-N 3.17Å; E205-T209 PolarHBondContact O-OG1 2.69Å
210F81.1Confident83.5Confident86 Ų8679.2 Ų79.238%0.37744%0.443SS..EExtended strand (participates in β ladder)trans-112.1122.7169.7-174.5-114000110.5N208 G212 V213 I215 I260N208-F210 PolarHBondContact O-N 2.91Å; F210-G212 PolarHBondContact O-N 2.83Å; F210-G212 VanDerWaalsContact O-N 3.1Å; F210-V213 PolarHBondContact N-O 2.81Å; F210-V213 PolarHBondContact O-N 3.27Å; F210-I215 HydrophobicContact CB-CD1 3.48Å; F210-I215 VanDerWaalsContact CB-CD1 3.48Å; F210-I215 HydrophobicContact CB-CG1 3.95Å; F210-I215 HydrophobicContact CD1-CD1 4.31Å; F210-I215 HydrophobicContact CG-CD1 4.1Å; F210-I260 HydrophobicContact CD1-CB 4.32Å; F210-I260 HydrophobicContact CD1-CG2 3.99Å
211R81.3Confident84.3Confident162 Ų16280.6 Ų80.661%0.61145%0.45SS*.THydrogen-bonded Turntrans50.934.7179.6-61.2174.6172.2168.7-0.6113.7R259R211-R259 WeakPolarHBondContact CD-O 3.46Å; R211-R259 PolarHBondContact NH1-O 2.99Å; R211-R259 PolarHBondContact O-NH2 2.94Å
212G82.6Confident84.9Confident62 Ų6282.4 Ų82.464%0.63945%0.447SS*.THydrogen-bonded Turntrans78.422.6-178.700000115F210F210-G212 PolarHBondContact O-N 2.83Å; F210-G212 VanDerWaalsContact O-N 3.1Å
213V85.7Confident85.6Confident28 Ų2880.7 Ų80.717%0.1743%0.433CS..EExtended strand (participates in β ladder)trans-135.9131.7173.9-1710000109.3F210 I215 I260F210-V213 PolarHBondContact N-O 2.81Å; F210-V213 PolarHBondContact O-N 3.27Å; V213-I215 PolarHBondContact O-N 2.94Å; V213-I260 HydrophobicContact CB-CD1 4.38Å; V213-I260 HydrophobicContact CB-CG2 3.94Å; V213-I260 HydrophobicContact CG1-CD1 3.91Å; V213-I260 HydrophobicContact CG2-CG2 4.11Å
214V88.4Confident86.4Confident43 Ų4380.9 Ų80.926%0.26143%0.425SS..EExtended strand (participates in β ladder)trans-71.3122.9178.5-169.40000110.1E205 N208 Q273E205-V214 HydrophobicContact CB-CG2 3.92Å; E205-V214 HydrophobicContact CG-CG2 3.86Å; N208-V214 HydrophobicContact CB-CG1 4.44Å; V214-Q273 PolarHBondContact O-NE2 3.08Å
215I90.6Very high87.2Confident40 Ų4081.8 Ų81.821%0.20543%0.426CS..  trans-83127.2173.4-62.6-178.1000109.1N208 F210 V213 Y217N208-I215 WeakPolarHBondContact CB-O 3.19Å; N208-I215 PolarHBondContact ND2-O 2.83Å; N208-I215 PolarHBondContact O-N 2.97Å; F210-I215 HydrophobicContact CB-CD1 3.48Å; F210-I215 VanDerWaalsContact CB-CD1 3.48Å; F210-I215 HydrophobicContact CB-CG1 3.95Å; F210-I215 HydrophobicContact CD1-CD1 4.31Å; F210-I215 HydrophobicContact CG-CD1 4.1Å; V213-I215 PolarHBondContact O-N 2.94Å; I215-Y217 VanDerWaalsContact C-N 3.33Å; I215-Y217 WeakPolarHBondContact CG2-O 3.41Å
216K88.5Confident87.9Confident146 Ų14677.2 Ų77.264%0.63541%0.405SS*.  trans-74.2-21.8179.7-67.6-175.6175.2-169.20114.2
217Y91.2Very high88.3Confident29 Ų2980.8 Ų80.811%0.11441%0.414CS..  trans-109.3136.2-169.6-179-100.7000112I215 E219 P220 V276 Q278 I300 L302 Y320I215-Y217 VanDerWaalsContact C-N 3.33Å; I215-Y217 WeakPolarHBondContact CG2-O 3.41Å; Y217-E219 HydrophobicContact CE1-CG 4.24Å; Y217-P220 VanDerWaalsContact OH-CD 3.31Å; Y217-P220 WeakPolarHBondContact OH-CD 3.4Å; Y217-V276 HydrophobicContact CD1-CB 4.13Å; Y217-V276 HydrophobicContact CD1-CG1 3.77Å; Y217-V276 HydrophobicContact CD1-CG2 3.86Å; Y217-V276 HydrophobicContact CD2-CG2 4.49Å; Y217-V276 HydrophobicContact CE1-CB 4.25Å; Y217-V276 HydrophobicContact CE1-CG1 3.59Å; Y217-V276 HydrophobicContact CE1-CG2 4.47Å; Y217-V276 HydrophobicContact CG-CB 4.3Å; Y217-V276 HydrophobicContact CG-CG1 4.43Å; Y217-V276 HydrophobicContact CG-CG2 3.85Å; Y217-Q278 WeakPolarHBondContact OH-CG 3.37Å; Y217-Q278 PolarHBondContact OH-OE1 3.21Å; Y217-Q278 VanDerWaalsContact OH-OE1 3.05Å; Y217-I300 HydrophobicContact CD2-CG2 4.37Å; Y217-I300 HydrophobicContact CE2-CD1 4.38Å; Y217-I300 HydrophobicContact CE2-CG2 3.82Å; Y217-L302 HydrophobicContact CD2-CD2 3.73Å; Y217-L302 HydrophobicContact CG-CD2 4.08Å; Y217-Y320 HydrophobicContact CE2-CE1 4.38Å; Y217-Y320 WeakPolarHBondContact CE2-OH 3.06Å; Y217-Y320 WeakPolarHBondContact OH-CE1 3.42Å; Y217-Y320 PolarHBondContact OH-OH 3.37Å
218N91.3Very high88.6Confident96 Ų9678.8 Ų78.851%0.51339%0.394SS..  trans-114.8130.3173.8-65.431.5000108.6N208N208-N218 PolarHBondContact ND2-OD1 3.05Å
219E89.8Confident89.1Confident96 Ų9683.3 Ų83.345%0.44941%0.409SS..  trans-62.4132.9175-63.7-164.2-140.600110.6Y217 A223 S250 A251Y217-E219 HydrophobicContact CE1-CG 4.24Å; E219-A223 HydrophobicContact CB-CB 4.05Å; E219-A223 WeakPolarHBondContact OE2-CB 3.31Å; E219-S250 PolarHBondContact OE1-OG 2.8Å; E219-S250 WeakPolarHBondContact OE2-CB 3.35Å; E219-S250 PolarHBondContact OE2-OG 3.11Å; E219-A251 HydrophobicContact CG-CB 3.9Å
220P92.3Very high89.6Confident24 Ų2480.1 Ų80.116%0.15639%0.388CS..  trans-67.6155.6175.928.5-34.8000110.9Y217 E222 A223 Q278 R280Y217-P220 VanDerWaalsContact OH-CD 3.31Å; Y217-P220 WeakPolarHBondContact OH-CD 3.4Å; P220-E222 PolarHBondContact O-N 2.82Å; P220-A223 WeakPolarHBondContact O-CB 3.45Å; P220-A223 PolarHBondContact O-N 2.91Å; P220-Q278 HydrophobicContact CG-CG 4.29Å; P220-R280 HydrophobicContact CG-CG 4.34Å
221P90.4Very high90.3Very high119 Ų11979 Ų7977%0.77338%0.381SS*.THydrogen-bonded Turntrans-61.8-17.517825.8-35.3000114A223 R224P221-A223 VanDerWaalsContact C-N 3.28Å; P221-R224 PolarHBondContact O-NH1 3.36Å
222E90.9Very high90.9Very high80 Ų8071.3 Ų71.337%0.37435%0.353SS..THydrogen-bonded Turntrans-73.9-11.1172.1-60.4174.1179.700114.1P220 R224 R280 L281P220-E222 PolarHBondContact O-N 2.82Å; E222-R224 PolarHBondContact O-N 2.83Å; E222-R280 IonicContact OE1-NH2 3.88Å; E222-R280 IonicContact OE2-CZ 3.8Å; E222-R280 IonicContact OE2-NE 2.74Å; E222-R280 PolarHBondContact OE2-NE 3.08Å; E222-R280 IonicContact OE2-NH2 3.12Å; E222-R280 PolarHBondContact OE2-NH2 3.26Å; E222-L281 PolarHBondContact O-N 3.25Å
223A93.8Very high91.5Very high13 Ų1371.2 Ų71.211%0.10733%0.333CS..BIsolated β-bridgetrans-59.2122.4-177.400000111.3E219 P220 P221 Y279E219-A223 HydrophobicContact CB-CB 4.05Å; E219-A223 WeakPolarHBondContact OE2-CB 3.31Å; P220-A223 WeakPolarHBondContact O-CB 3.45Å; P220-A223 PolarHBondContact O-N 2.91Å; P221-A223 VanDerWaalsContact C-N 3.28Å; A223-Y279 WeakPolarHBondContact CA-O 3.37Å
224R94.1Very high91.9Very high130 Ų13070 Ų7049%0.49133%0.326SS..  trans-145.1137.5-179.4-69.2-62.2-180-82.7-2.3110.6P221 E222 Y279 L281 V295P221-R224 PolarHBondContact O-NH1 3.36Å; E222-R224 PolarHBondContact O-N 2.83Å; R224-Y279 PolarHBondContact N-O 3.03Å; R224-Y279 WeakPolarHBondContact O-CB 3.24Å; R224-L281 HydrophobicContact CB-CB 4.41Å; R224-L281 HydrophobicContact CG-CB 3.99Å; R224-L281 HydrophobicContact CG-CD2 4.43Å; R224-V295 HydrophobicContact CB-CG2 4.08Å; R224-V295 WeakPolarHBondContact O-CG1 3.48Å
225I92.7Very high92.2Very high99 Ų9971.3 Ų71.351%0.50833%0.328SS..  trans-60131.7174.8-58.4172.7000109H247I225-H247 WeakPolarHBondContact CG2-O 3.49Å
226P92.7Very high92.4Very high11 Ų1173.4 Ų73.47%0.07134%0.336CS..  trans-71.7145-179.331.6-37.5000111.6H247 Y279 V295P226-H247 HydrophobicContact CG-CB 4.06Å; P226-Y279 HydrophobicContact CB-CD1 3.82Å; P226-Y279 HydrophobicContact CB-CE1 3.89Å; P226-Y279 HydrophobicContact CB-CG 4.24Å; P226-Y279 HydrophobicContact CG-CD1 3.86Å; P226-Y279 HydrophobicContact CG-CD2 3.93Å; P226-Y279 HydrophobicContact CG-CE1 3.74Å; P226-Y279 HydrophobicContact CG-CE2 3.83Å; P226-Y279 HydrophobicContact CG-CG 3.94Å; P226-V295 HydrophobicContact CB-CG1 4.01Å
227K89.1Confident92.4Very high214 Ų21471.1 Ų71.193%0.9333%0.331SS*.SBendtrans-78.6-22.2167.9-66.3-171.5177.4-173.20113.2
228R89.5Confident92.3Very high67 Ų6776.7 Ų76.725%0.25336%0.362SS..SBendtrans-83.7135.8178.1-56.8179.388.9-1615.3109W230 H342R228-W230 PolarHBondContact O-N 2.88Å; R228-H342 PolarHBondContact NH1-CD2 2.91Å; R228-H342 PolarHBondContact NH1-NE2 3.48Å; R228-H342 PolarHBondContact NH2-CD2 3.21Å; R228-H342 PolarHBondContact NH2-CE1 2.94Å; R228-H342 VanDerWaalsContact NH2-CE1 3.3Å; R228-H342 PolarHBondContact NH2-NE2 2.71Å
229R91.9Very high92.4Very high129 Ų12976.8 Ų76.849%0.48736%0.363SS..  trans-77.386.4172.7-62.3-160.9-167.8138.7-8.5110.8H342 E343R229-H342 WeakPolarHBondContact O-CA 3.42Å; R229-E343 HydrophobicContact CB-CB 3.98Å; R229-E343 WeakPolarHBondContact CD-OE1 3.46Å; R229-E343 WeakPolarHBondContact CD-OE2 3.47Å; R229-E343 WeakPolarHBondContact CG-OE2 3.5Å; R229-E343 IonicContact CZ-OE1 3.72Å; R229-E343 IonicContact CZ-OE2 3.69Å; R229-E343 IonicContact NE-OE1 3.97Å; R229-E343 IonicContact NE-OE2 3.62Å; R229-E343 VanDerWaalsContact NH1-CD 3.34Å; R229-E343 IonicContact NH1-OE1 2.73Å; R229-E343 PolarHBondContact NH1-OE1 3.1Å; R229-E343 IonicContact NH1-OE2 3.23Å; R229-E343 PolarHBondContact NH1-OE2 3.17Å; R229-E343 PolarHBondContact O-N 2.79Å
230W94Very high92.5Very high9 Ų977.2 Ų77.23%0.03437%0.374CS..EExtended strand (participates in β ladder)trans-72.6147.6165.6-64.796.8000111.1R228 I246 H247 Y279 P297 L340 L341 H342R228-W230 PolarHBondContact O-N 2.88Å; W230-I246 HydrophobicContact CB-CD1 4.19Å; W230-I246 HydrophobicContact CB-CG1 3.9Å; W230-H247 PolarHBondContact O-ND1 2.92Å; W230-H247 VanDerWaalsContact O-ND1 3.1Å; W230-Y279 WeakPolarHBondContact CB-OH 3.48Å; W230-Y279 AromaticContact CD1-CE1 3.43Å; W230-Y279 VanDerWaalsContact CD1-CE1 3.43Å; W230-Y279 AromaticContact CD1-CZ 3.78Å; W230-Y279 HydrophobicContact CG-CE1 4.02Å; W230-Y279 AromaticContact NE1-CE1 3.65Å; W230-P297 HydrophobicContact CH2-CG 3.84Å; W230-P297 HydrophobicContact CZ2-CG 3.66Å; W230-P297 HydrophobicContact CZ3-CG 4.37Å; W230-L340 HydrophobicContact CD2-CD1 4.42Å; W230-L340 HydrophobicContact CE3-CD1 3.62Å; W230-L340 HydrophobicContact CE3-CD2 4.05Å; W230-L340 HydrophobicContact CE3-CG 3.72Å; W230-L340 HydrophobicContact CZ3-CD1 4.2Å; W230-L340 HydrophobicContact CZ3-CD2 3.85Å; W230-L340 HydrophobicContact CZ3-CG 3.75Å; W230-L341 WeakPolarHBondContact CA-O 3.48Å; W230-H342 HydrophobicContact CD2-CB 4.14Å; W230-H342 HydrophobicContact CE3-CB 3.92Å; W230-H342 AromaticContact CE3-CD2 3.95Å; W230-H342 AromaticContact CH2-CD2 3.68Å; W230-H342 HydrophobicContact CZ3-CB 4.4Å; W230-H342 AromaticContact CZ3-CD2 3.58Å
231R94.7Very high92.6Very high61 Ų6179.1 Ų79.123%0.2338%0.383CS..EExtended strand (participates in β ladder)trans-139.5141179.5-58.9178.4-166.41784.3107.6Y233 V243 M244 Y245 L341 E343R231-Y233 HydrophobicContact CB-CD2 4.27Å; R231-Y233 HydrophobicContact CB-CE2 3.58Å; R231-Y233 WeakPolarHBondContact CD-OH 3.49Å; R231-V243 HydrophobicContact CB-CG1 3.98Å; R231-V243 HydrophobicContact CG-CG1 4.5Å; R231-M244 WeakPolarHBondContact CA-O 3.39Å; R231-Y245 HydrophobicContact CG-CD1 4.17Å; R231-Y245 HydrophobicContact CG-CE1 4.36Å; R231-L341 PolarHBondContact N-O 3.44Å; R231-L341 PolarHBondContact O-N 2.97Å; R231-L341 VanDerWaalsContact O-N 3.07Å; R231-E343 IonicContact NH2-OE1 3.23Å; R231-E343 PolarHBondContact NH2-OE1 3.27Å
232L94.8Very high92.7Very high1 Ų178.5 Ų78.51%0.00538%0.379CS..EExtended strand (participates in β ladder)trans-107.1127.5173.4-163.174.9000107.3P234 M244 I246 I263 Y338 L340L232-P234 WeakPolarHBondContact O-CD 3.15Å; L232-M244 HydrophobicContact CB-CB 4.24Å; L232-M244 PolarHBondContact N-O 3.28Å; L232-M244 PolarHBondContact O-N 3.03Å; L232-I246 HydrophobicContact CB-CD1 4.25Å; L232-I246 HydrophobicContact CB-CG2 4.08Å; L232-I263 HydrophobicContact CD2-CD1 4.25Å; L232-Y338 HydrophobicContact CD2-CD1 3.55Å; L232-Y338 HydrophobicContact CD2-CE1 4.41Å; L232-Y338 HydrophobicContact CD2-CG 4.14Å; L232-Y338 HydrophobicContact CG-CD1 4.1Å; L232-Y338 HydrophobicContact CG-CG 4.49Å; L232-L340 HydrophobicContact CD1-CB 4.49Å; L232-L340 HydrophobicContact CD1-CD1 4.39Å
233Y95Very high92.8Very high60 Ų6077.2 Ų77.224%0.23538%0.376CS..EExtended strand (participates in β ladder)trans-106.5101.5-179.9-70.2-98.4000108.2R231 F235 V243 Y338 V339 L341R231-Y233 HydrophobicContact CB-CD2 4.27Å; R231-Y233 HydrophobicContact CB-CE2 3.58Å; R231-Y233 WeakPolarHBondContact CD-OH 3.49Å; Y233-F235 WeakPolarHBondContact O-CD2 3.28Å; Y233-V243 HydrophobicContact CD1-CB 4.49Å; Y233-V243 HydrophobicContact CD1-CG1 4.1Å; Y233-V243 HydrophobicContact CD1-CG2 3.67Å; Y233-V243 HydrophobicContact CD2-CG1 4.47Å; Y233-V243 HydrophobicContact CE1-CB 4.35Å; Y233-V243 HydrophobicContact CE1-CG1 3.83Å; Y233-V243 HydrophobicContact CE1-CG2 3.51Å; Y233-V243 HydrophobicContact CE2-CG1 4.2Å; Y233-V243 HydrophobicContact CG-CG1 4.43Å; Y233-Y338 WeakPolarHBondContact O-CA 3.46Å; Y233-V339 PolarHBondContact N-O 2.91Å; Y233-V339 PolarHBondContact O-N 2.8Å; Y233-L341 HydrophobicContact CD2-CB 3.92Å; Y233-L341 HydrophobicContact CD2-CD1 3.78Å; Y233-L341 HydrophobicContact CD2-CG 4.32Å; Y233-L341 HydrophobicContact CE2-CB 3.72Å; Y233-L341 HydrophobicContact CE2-CD1 3.92Å; Y233-L341 HydrophobicContact CE2-CG 4.43Å; Y233-L341 HydrophobicContact CG-CD1 4.4Å
234P94.6Very high92.8Very high2 Ų279.2 Ų79.21%0.01338%0.384CS..EExtended strand (participates in β ladder)trans-79.6131.717624.8-19.4000110.1L232 L241 P242 M244 E337 Y338L232-P234 WeakPolarHBondContact O-CD 3.15Å; P234-L241 HydrophobicContact CB-CB 4Å; P234-L241 HydrophobicContact CB-CD1 4.43Å; P234-L241 HydrophobicContact CG-CB 3.76Å; P234-L241 WeakPolarHBondContact O-CB 3.45Å; P234-L241 PolarHBondContact O-N 3.17Å; P234-P242 WeakPolarHBondContact CG-O 3.35Å; P234-M244 HydrophobicContact CG-CE 4.16Å; P234-M244 HydrophobicContact CG-CG 4.45Å; P234-E337 CarbonylContact C-O 3.59Å; P234-E337 WeakPolarHBondContact CA-O 3.45Å; P234-Y338 HydrophobicContact CB-CD1 3.78Å; P234-Y338 HydrophobicContact CB-CE1 3.81Å
235F94.9Very high92.7Very high71 Ų7178.5 Ų78.531%0.31138%0.382SS..EExtended strand (participates in β ladder)trans-116.6152169.2-63.7-93.1000108.8Y233 D239 P240 R336 E337 V339Y233-F235 WeakPolarHBondContact O-CD2 3.28Å; F235-D239 CarbonylContact C-O 3.57Å; F235-D239 WeakPolarHBondContact CA-O 3.47Å; F235-P240 HydrophobicContact CD1-CB 4.17Å; F235-P240 HydrophobicContact CE1-CB 3.95Å; F235-R336 CarbonylContact O-C 3.53Å; F235-R336 VanDerWaalsContact O-CA 3.23Å; F235-R336 WeakPolarHBondContact O-CA 3.31Å; F235-E337 PolarHBondContact N-O 2.95Å; F235-E337 PolarHBondContact O-N 3.12Å; F235-V339 HydrophobicContact CD2-CG2 3.9Å; F235-V339 HydrophobicContact CE2-CB 4.28Å; F235-V339 HydrophobicContact CE2-CG2 3.72Å
236K93.5Very high92.8Very high84 Ų8473.9 Ų73.937%0.36536%0.359SS..EExtended strand (participates in β ladder)trans-144.2102.9176.7-178.9-140.8166.8-153.90109.5D238 D239 L241 R336K236-D238 VanDerWaalsContact C-N 3.31Å; K236-D239 PolarHBondContact N-O 2.87Å; K236-D239 WeakPolarHBondContact O-CB 3.4Å; K236-D239 PolarHBondContact O-N 3.2Å; K236-L241 HydrophobicContact CB-CD1 3.79Å; K236-L241 HydrophobicContact CB-CG 4.35Å; K236-R336 HydrophobicContact CB-CG 4.11Å; K236-R336 HydrophobicContact CG-CG 4.05Å
237N89.9Confident92.8Very high98 Ų9874.9 Ų74.952%0.52436%0.362SS..THydrogen-bonded Turntrans56.450-170.4-43.3-6.9000110D239 S335N237-D239 PolarHBondContact O-N 3.35Å; N237-S335 VanDerWaalsContact OD1-CB 3.23Å; N237-S335 WeakPolarHBondContact OD1-CB 3.12Å; N237-S335 PolarHBondContact OD1-OG 3.35Å
238D88.4Confident93Very high146 Ų14672.9 Ų72.978%0.78135%0.349SS*.THydrogen-bonded Turntrans65.3-15.3-176.8-47.6-47.5000116.5K236 P240K236-D238 VanDerWaalsContact C-N 3.31Å; D238-P240 WeakPolarHBondContact O-CD 3.47Å
239D93.2Very high93.2Very high99 Ų9973.9 Ų73.953%0.52936%0.356SS..EExtended strand (participates in β ladder)trans-61.6121.9170-66.1-38.3000111.3F235 K236 N237 L241F235-D239 CarbonylContact C-O 3.57Å; F235-D239 WeakPolarHBondContact CA-O 3.47Å; K236-D239 PolarHBondContact N-O 2.87Å; K236-D239 WeakPolarHBondContact O-CB 3.4Å; K236-D239 PolarHBondContact O-N 3.2Å; N237-D239 PolarHBondContact O-N 3.35Å; D239-L241 PolarHBondContact O-N 2.72Å
240P93Very high93.3Very high105 Ų10568.9 Ų68.968%0.68234%0.341SS*.EExtended strand (participates in β ladder)trans-73125.6174.928.7-33.2000111.1F235 D238F235-P240 HydrophobicContact CD1-CB 4.17Å; F235-P240 HydrophobicContact CE1-CB 3.95Å; D238-P240 WeakPolarHBondContact O-CD 3.47Å
241L92.6Very high93.4Very high63 Ų6369 Ų6933%0.3334%0.344SS..PPolyproline II helixtrans-98.1162.6175.3-69.7174.1000111.3P234 K236 D239 V243P234-L241 HydrophobicContact CB-CB 4Å; P234-L241 HydrophobicContact CB-CD1 4.43Å; P234-L241 HydrophobicContact CG-CB 3.76Å; P234-L241 WeakPolarHBondContact O-CB 3.45Å; P234-L241 PolarHBondContact O-N 3.17Å; K236-L241 HydrophobicContact CB-CD1 3.79Å; K236-L241 HydrophobicContact CB-CG 4.35Å; D239-L241 PolarHBondContact O-N 2.72Å; L241-V243 PolarHBondContact O-N 3.29Å
242P93.1Very high93.4Very high107 Ų10766.8 Ų66.870%0.69534%0.336SS*.PPolyproline II helixtrans-53.5128.1-177-29.636.5000114.4P234P234-P242 WeakPolarHBondContact CG-O 3.35Å
243V93.1Very high93.5Very high53 Ų5367.2 Ų67.232%0.32134%0.338SS..PPolyproline II helixtrans-61.4133.4-176-173.20000111.7R231 Y233 L241R231-V243 HydrophobicContact CB-CG1 3.98Å; R231-V243 HydrophobicContact CG-CG1 4.5Å; Y233-V243 HydrophobicContact CD1-CB 4.49Å; Y233-V243 HydrophobicContact CD1-CG1 4.1Å; Y233-V243 HydrophobicContact CD1-CG2 3.67Å; Y233-V243 HydrophobicContact CD2-CG1 4.47Å; Y233-V243 HydrophobicContact CE1-CB 4.35Å; Y233-V243 HydrophobicContact CE1-CG1 3.83Å; Y233-V243 HydrophobicContact CE1-CG2 3.51Å; Y233-V243 HydrophobicContact CE2-CG1 4.2Å; Y233-V243 HydrophobicContact CG-CG1 4.43Å; L241-V243 PolarHBondContact O-N 3.29Å
244M93Very high93.5Very high54 Ų5464.5 Ų64.527%0.26633%0.327SS..BIsolated β-bridgetrans-103.9122.8-178-57.6-179.7176.100111.7R231 L232 P234 I246 I263R231-M244 WeakPolarHBondContact CA-O 3.39Å; L232-M244 HydrophobicContact CB-CB 4.24Å; L232-M244 PolarHBondContact N-O 3.28Å; L232-M244 PolarHBondContact O-N 3.03Å; P234-M244 HydrophobicContact CG-CE 4.16Å; P234-M244 HydrophobicContact CG-CG 4.45Å; M244-I246 PolarHBondContact O-N 2.85Å; M244-I246 VanDerWaalsContact O-N 3.16Å; M244-I263 HydrophobicContact CE-CG2 4.46Å; M244-I263 HydrophobicContact SD-CG1 4.43Å; M244-I263 HydrophobicContact SD-CG2 3.72Å
245Y93.7Very high93.6Very high116 Ų11664.4 Ų64.446%0.45533%0.327SS..  trans-86.285.2-176.7-65.7-77.7000112.8R231 H247R231-Y245 HydrophobicContact CG-CD1 4.17Å; R231-Y245 HydrophobicContact CG-CE1 4.36Å; Y245-H247 VanDerWaalsContact C-N 3.31Å; Y245-H247 AromaticContact CD1-CE1 3.8Å; Y245-H247 PolarHBondContact O-N 3.44Å
246I93.8Very high93.5Very high2 Ų266.7 Ų66.71%0.0133%0.334CS..THydrogen-bonded Turntrans-82.610.8-174.560.9165.6000115.4W230 L232 M244 Y252 I263 F277 Y279 L340W230-I246 HydrophobicContact CB-CD1 4.19Å; W230-I246 HydrophobicContact CB-CG1 3.9Å; L232-I246 HydrophobicContact CB-CD1 4.25Å; L232-I246 HydrophobicContact CB-CG2 4.08Å; M244-I246 PolarHBondContact O-N 2.85Å; M244-I246 VanDerWaalsContact O-N 3.16Å; I246-Y252 WeakPolarHBondContact CA-OH 3.27Å; I246-Y252 HydrophobicContact CB-CD2 4.32Å; I246-Y252 HydrophobicContact CB-CE2 3.96Å; I246-Y252 WeakPolarHBondContact O-CE2 3.39Å; I246-Y252 PolarHBondContact O-OH 3.42Å; I246-I263 HydrophobicContact CG2-CD1 3.81Å; I246-F277 HydrophobicContact CD1-CD2 4.27Å; I246-F277 HydrophobicContact CD1-CE1 4.11Å; I246-F277 HydrophobicContact CD1-CE2 3.62Å; I246-F277 HydrophobicContact CD1-CZ 3.53Å; I246-Y279 WeakPolarHBondContact CD1-OH 3.46Å; I246-Y279 WeakPolarHBondContact O-CE2 3.22Å; I246-Y279 PolarHBondContact O-OH 2.92Å; I246-L340 HydrophobicContact CD1-CD1 3.57Å
247H92.7Very high93.5Very high31 Ų3164.8 Ų64.814%0.14433%0.326CS..THydrogen-bonded Turntrans-92.3-0.1-178.862.1-91.4000115.7I225 P226 W230 Y245I225-H247 WeakPolarHBondContact CG2-O 3.49Å; P226-H247 HydrophobicContact CG-CB 4.06Å; W230-H247 PolarHBondContact O-ND1 2.92Å; W230-H247 VanDerWaalsContact O-ND1 3.1Å; Y245-H247 VanDerWaalsContact C-N 3.31Å; Y245-H247 AromaticContact CD1-CE1 3.8Å; Y245-H247 PolarHBondContact O-N 3.44Å
248R93.5Very high93.7Very high172 Ų17267.9 Ų67.965%0.64933%0.33SS*.SBendtrans-88.1-25.6-169.9-61.8-178179.5-179.92.1114.7Y252R248-Y252 PolarHBondContact N-OH 3.02Å
249Q93.8Very high93.8Very high88 Ų8868.2 Ų68.241%0.41132%0.321SS..SBendtrans-119.1166.8179.5-64168.2-49.700110.8Y252Q249-Y252 HydrophobicContact CB-CE1 4.16Å; Q249-Y252 HydrophobicContact CB-CE2 4.1Å; Q249-Y252 HydrophobicContact CG-CE1 4.42Å; Q249-Y252 PolarHBondContact N-OH 3.05Å
250S94.3Very high93.7Very high25 Ų2563.7 Ų63.718%0.17530%0.296CS..SBendtrans-78.8-33.4174.840.70000112.9E219 Q278 Y279E219-S250 PolarHBondContact OE1-OG 2.8Å; E219-S250 WeakPolarHBondContact OE2-CB 3.35Å; E219-S250 PolarHBondContact OE2-OG 3.11Å; S250-Q278 PolarHBondContact O-NE2 3.5Å; S250-Y279 WeakPolarHBondContact O-CD2 3.03Å; S250-Y279 PolarHBondContact O-N 3.49Å
251A95.2Very high93.8Very high11 Ų1159.2 Ų59.29%0.09127%0.268CS..EExtended strand (participates in β ladder)trans-137160.817700000111.9E219 V276 F277E219-A251 HydrophobicContact CG-CB 3.9Å; A251-V276 HydrophobicContact CB-CG1 4.13Å; A251-F277 CarbonylContact C-O 3.55Å; A251-F277 WeakPolarHBondContact CA-O 3.4Å
252Y95.9Very high93.8Very high14 Ų1460.1 Ų60.16%0.05527%0.273CS..EExtended strand (participates in β ladder)trans-138.8128.2171.5-59.2-97.6000109.7I246 R248 Q249 D262 I263 V276 F277 Y279I246-Y252 WeakPolarHBondContact CA-OH 3.27Å; I246-Y252 HydrophobicContact CB-CD2 4.32Å; I246-Y252 HydrophobicContact CB-CE2 3.96Å; I246-Y252 WeakPolarHBondContact O-CE2 3.39Å; I246-Y252 PolarHBondContact O-OH 3.42Å; R248-Y252 PolarHBondContact N-OH 3.02Å; Q249-Y252 HydrophobicContact CB-CE1 4.16Å; Q249-Y252 HydrophobicContact CB-CE2 4.1Å; Q249-Y252 HydrophobicContact CG-CE1 4.42Å; Q249-Y252 PolarHBondContact N-OH 3.05Å; Y252-D262 HydrophobicContact CD1-CB 4.02Å; Y252-I263 HydrophobicContact CD1-CD1 4.37Å; Y252-I263 HydrophobicContact CD1-CG1 4.48Å; Y252-I263 HydrophobicContact CG-CD1 4.25Å; Y252-V276 WeakPolarHBondContact O-CA 3.17Å; Y252-F277 PolarHBondContact N-O 3.25Å; Y252-F277 PolarHBondContact O-N 2.84Å; Y252-Y279 HydrophobicContact CE2-CE2 4.19Å
253L95.7Very high93.8Very high11 Ų1155.3 Ų55.36%0.05824%0.242CC..EExtended strand (participates in β ladder)trans-84.2121.7174.4178.860.6000110.4I260 A261 D262 I263 Q273 V276 L302L253-I260 HydrophobicContact CD2-CB 4.27Å; L253-I260 HydrophobicContact CD2-CD1 4.01Å; L253-I260 HydrophobicContact CD2-CG1 4.01Å; L253-A261 CarbonylContact O-C 3.59Å; L253-A261 WeakPolarHBondContact O-CA 3.47Å; L253-D262 PolarHBondContact N-OD2 3.36Å; L253-D262 PolarHBondContact O-N 3.27Å; L253-I263 PolarHBondContact O-N 3.12Å; L253-Q273 HydrophobicContact CD1-CB 4.09Å; L253-Q273 HydrophobicContact CD1-CG 4.27Å; L253-Q273 HydrophobicContact CD2-CG 4.19Å; L253-V276 HydrophobicContact CD1-CG2 3.72Å; L253-L302 HydrophobicContact CD1-CD1 4.02Å
254L95.9Very high93.8Very high2 Ų254.5 Ų54.51%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-103.9133.9175.1-54.1101.6000110.9I263 I265 H274 A275 F277 I299 F331L254-I263 WeakPolarHBondContact CA-O 3.28Å; L254-I263 HydrophobicContact CD2-CB 3.97Å; L254-I263 HydrophobicContact CD2-CD1 4.12Å; L254-I263 HydrophobicContact CD2-CG2 3.83Å; L254-I263 HydrophobicContact CG-CB 4.04Å; L254-I263 HydrophobicContact CG-CD1 4.41Å; L254-I263 HydrophobicContact CG-CG2 4.42Å; L254-I265 HydrophobicContact CB-CD1 3.72Å; L254-I265 HydrophobicContact CB-CG1 4.39Å; L254-I265 HydrophobicContact CD2-CD1 4.46Å; L254-H274 WeakPolarHBondContact O-CB 3.13Å; L254-H274 PolarHBondContact O-N 2.71Å; L254-A275 WeakPolarHBondContact CA-O 3.46Å; L254-A275 PolarHBondContact N-O 2.96Å; L254-A275 PolarHBondContact O-N 3.32Å; L254-F277 HydrophobicContact CD1-CB 3.92Å; L254-I299 HydrophobicContact CD1-CD1 4.27Å; L254-F331 HydrophobicContact CD2-CE2 3.92Å; L254-F331 HydrophobicContact CD2-CZ 3.77Å
255G95.4Very high93.8Very high0 Ų052 Ų520%023%0.225CC..EExtended strand (participates in β ladder)trans167.4-179.2175.900000114.3Q257 I263 I265G255-Q257 VanDerWaalsContact C-N 3.31Å; G255-Q257 PolarHBondContact O-N 3.22Å; G255-I263 PolarHBondContact N-O 3.26Å; G255-I265 PolarHBondContact O-N 3.2Å
256R94.8Very high93.6Very high120 Ų12049 Ų4945%0.45322%0.217SC..SBendtrans-73.7-19.5-175.6-159.9177.777.3-167.59.7113.6R258 I265 H267 P268 S271 K272R256-R258 PolarHBondContact O-N 2.62Å; R256-I265 WeakPolarHBondContact CA-O 3.36Å; R256-H267 VanDerWaalsContact CD-O 3.27Å; R256-H267 WeakPolarHBondContact CD-O 3.36Å; R256-P268 PolarHBondContact NH1-O 3.02Å; R256-S271 PolarHBondContact N-O 3.27Å; R256-K272 PolarHBondContact N-O 3.11Å
257Q93.1Very high93.6Very high43 Ų4351.3 Ų51.320%0.20123%0.228CC..  trans-92.783.6-171.3-168.3169.7-0.200112.7G255 R259 I260 A261 K272G255-Q257 VanDerWaalsContact C-N 3.31Å; G255-Q257 PolarHBondContact O-N 3.22Å; Q257-R259 HydrophobicContact CG-CB 4.45Å; Q257-R259 PolarHBondContact O-N 2.73Å; Q257-I260 HydrophobicContact CB-CD1 4.5Å; Q257-I260 HydrophobicContact CB-CG1 4.11Å; Q257-I260 HydrophobicContact CG-CG1 4.11Å; Q257-I260 WeakPolarHBondContact O-CG1 3.25Å; Q257-I260 PolarHBondContact O-N 3.21Å; Q257-A261 PolarHBondContact O-N 3.03Å; Q257-K272 HydrophobicContact CB-CB 4.11Å; Q257-K272 WeakPolarHBondContact CB-O 3.45Å; Q257-K272 PolarHBondContact N-O 3.44Å
258R93Very high93.6Very high164 Ų16454.6 Ų54.662%0.61925%0.252SS*.THydrogen-bonded Turntrans-47.1-23.5177.9-67.5-169.5173.8118.9-15.1116.7R256 I260 P264 D266R256-R258 PolarHBondContact O-N 2.62Å; R258-I260 PolarHBondContact O-N 2.73Å; R258-P264 HydrophobicContact CG-CB 3.73Å; R258-D266 IonicContact CZ-OD1 2.93Å; R258-D266 IonicContact CZ-OD2 3.78Å; R258-D266 IonicContact NE-OD1 3.07Å; R258-D266 PolarHBondContact NE-OD1 2.96Å; R258-D266 IonicContact NH1-OD1 3.19Å; R258-D266 IonicContact NH2-OD1 2.86Å; R258-D266 PolarHBondContact NH2-OD1 2.9Å; R258-D266 IonicContact NH2-OD2 2.91Å; R258-D266 PolarHBondContact NH2-OD2 3.39Å
259R91.2Very high93.6Very high153 Ų15347.3 Ų47.358%0.57723%0.227SC*.THydrogen-bonded Turntrans-62.9-31175.6-80.2-18059.3172.8-3.3113R211 Q257R211-R259 WeakPolarHBondContact CD-O 3.46Å; R211-R259 PolarHBondContact NH1-O 2.99Å; R211-R259 PolarHBondContact O-NH2 2.94Å; Q257-R259 HydrophobicContact CG-CB 4.45Å; Q257-R259 PolarHBondContact O-N 2.73Å
260I91.5Very high93.7Very high4 Ų443.2 Ų43.22%0.02121%0.208CC..THydrogen-bonded Turntrans-124.8-26.9-174.761.6172.2000114F210 V213 L253 Q257 R258 Q273F210-I260 HydrophobicContact CD1-CB 4.32Å; F210-I260 HydrophobicContact CD1-CG2 3.99Å; V213-I260 HydrophobicContact CB-CD1 4.38Å; V213-I260 HydrophobicContact CB-CG2 3.94Å; V213-I260 HydrophobicContact CG1-CD1 3.91Å; V213-I260 HydrophobicContact CG2-CG2 4.11Å; L253-I260 HydrophobicContact CD2-CB 4.27Å; L253-I260 HydrophobicContact CD2-CD1 4.01Å; L253-I260 HydrophobicContact CD2-CG1 4.01Å; Q257-I260 HydrophobicContact CB-CD1 4.5Å; Q257-I260 HydrophobicContact CB-CG1 4.11Å; Q257-I260 HydrophobicContact CG-CG1 4.11Å; Q257-I260 WeakPolarHBondContact O-CG1 3.25Å; Q257-I260 PolarHBondContact O-N 3.21Å; R258-I260 PolarHBondContact O-N 2.73Å; I260-Q273 HydrophobicContact CD1-CG 3.63Å
261A93.5Very high93.7Very high11 Ų1143.6 Ų43.69%0.09121%0.211CC..  trans-73.9126.5-179.600000110.6L253 Q257L253-A261 CarbonylContact O-C 3.59Å; L253-A261 WeakPolarHBondContact O-CA 3.47Å; Q257-A261 PolarHBondContact O-N 3.03Å
262D93.6Very high93.6Very high81 Ų8149.4 Ų49.443%0.43323%0.234SC..SBendtrans-71.1-36173.5-50.7-74.3000110.8Y252 L253Y252-D262 HydrophobicContact CD1-CB 4.02Å; L253-D262 PolarHBondContact N-OD2 3.36Å; L253-D262 PolarHBondContact O-N 3.27Å
263I93.4Very high93.6Very high7 Ų749.5 Ų49.54%0.03624%0.235CC..EExtended strand (participates in β ladder)trans-116.2103.1175-59.5173.7000108.5L232 M244 I246 Y252 L253 L254 G255 I265L232-I263 HydrophobicContact CD2-CD1 4.25Å; M244-I263 HydrophobicContact CE-CG2 4.46Å; M244-I263 HydrophobicContact SD-CG1 4.43Å; M244-I263 HydrophobicContact SD-CG2 3.72Å; I246-I263 HydrophobicContact CG2-CD1 3.81Å; Y252-I263 HydrophobicContact CD1-CD1 4.37Å; Y252-I263 HydrophobicContact CD1-CG1 4.48Å; Y252-I263 HydrophobicContact CG-CD1 4.25Å; L253-I263 PolarHBondContact O-N 3.12Å; L254-I263 WeakPolarHBondContact CA-O 3.28Å; L254-I263 HydrophobicContact CD2-CB 3.97Å; L254-I263 HydrophobicContact CD2-CD1 4.12Å; L254-I263 HydrophobicContact CD2-CG2 3.83Å; L254-I263 HydrophobicContact CG-CB 4.04Å; L254-I263 HydrophobicContact CG-CD1 4.41Å; L254-I263 HydrophobicContact CG-CG2 4.42Å; G255-I263 PolarHBondContact N-O 3.26Å; I263-I265 PolarHBondContact O-N 2.93Å
264P93.6Very high93.6Very high36 Ų3649 Ų4923%0.23423%0.232CC..EExtended strand (participates in β ladder)trans-80.4120.6-175.231.8-35.1000112.2R258 R336R258-P264 HydrophobicContact CG-CB 3.73Å; P264-R336 PolarHBondContact O-NH1 3.23Å
265I92.6Very high93.7Very high0 Ų048.9 Ų48.90%023%0.232CC..  trans-98.5100.2173.4-52.8163.4000108.4L254 G255 R256 I263 H267 C270 F331L254-I265 HydrophobicContact CB-CD1 3.72Å; L254-I265 HydrophobicContact CB-CG1 4.39Å; L254-I265 HydrophobicContact CD2-CD1 4.46Å; G255-I265 PolarHBondContact O-N 3.2Å; R256-I265 WeakPolarHBondContact CA-O 3.36Å; I263-I265 PolarHBondContact O-N 2.93Å; I265-H267 HydrophobicContact CG2-CB 4.3Å; I265-H267 PolarHBondContact O-N 3.22Å; I265-C270 HydrophobicContact CB-CB 4.37Å; I265-C270 HydrophobicContact CG2-CB 4.07Å; I265-C270 WeakPolarHBondContact CG2-SG 3.24Å; I265-F331 HydrophobicContact CD1-CB 3.83Å; I265-F331 HydrophobicContact CD1-CD1 4.14Å; I265-F331 HydrophobicContact CD1-CD2 3.38Å; I265-F331 HydrophobicContact CD1-CE2 3.92Å; I265-F331 HydrophobicContact CD1-CG 3.5Å; I265-F331 HydrophobicContact CD1-CZ 4.48Å; I265-F331 HydrophobicContact CG1-CD2 4.1Å; I265-F331 HydrophobicContact CG2-CB 4.39Å
266D89.9Confident93.7Very high55 Ų5549 Ų4929%0.29423%0.233SC..  trans-84.457.3-171.8-49.8-49.5000112.1R258 R336R258-D266 IonicContact CZ-OD1 2.93Å; R258-D266 IonicContact CZ-OD2 3.78Å; R258-D266 IonicContact NE-OD1 3.07Å; R258-D266 PolarHBondContact NE-OD1 2.96Å; R258-D266 IonicContact NH1-OD1 3.19Å; R258-D266 IonicContact NH2-OD1 2.86Å; R258-D266 PolarHBondContact NH2-OD1 2.9Å; R258-D266 IonicContact NH2-OD2 2.91Å; R258-D266 PolarHBondContact NH2-OD2 3.39Å; D266-R336 IonicContact OD2-CZ 3.48Å; D266-R336 IonicContact OD2-NH1 2.71Å; D266-R336 PolarHBondContact OD2-NH1 3.27Å; D266-R336 IonicContact OD2-NH2 2.97Å; D266-R336 PolarHBondContact OD2-NH2 2.94Å
267H93.3Very high93.8Very high49 Ų4943.4 Ų43.423%0.22721%0.212CC..  trans-128.4134.2-179.1-157.6-107000111.2R256 I265 S269 C270 F333 S334R256-H267 VanDerWaalsContact CD-O 3.27Å; R256-H267 WeakPolarHBondContact CD-O 3.36Å; I265-H267 HydrophobicContact CG2-CB 4.3Å; I265-H267 PolarHBondContact O-N 3.22Å; H267-S269 VanDerWaalsContact C-N 3.26Å; H267-S269 PolarHBondContact CE1-OG 3.19Å; H267-S269 PolarHBondContact ND1-OG 2.82Å; H267-S269 PolarHBondContact O-N 3.16Å; H267-C270 HydrophobicContact CB-CB 4.41Å; H267-C270 WeakPolarHBondContact O-CB 3.38Å; H267-C270 PolarHBondContact O-N 3.01Å; H267-F333 PolarHBondContact CE1-O 3.11Å; H267-S334 PolarHBondContact ND1-N 2.79Å
268P92.9Very high94Very high101 Ų10141.4 Ų41.466%0.65620%0.202SC*.THydrogen-bonded Turntrans-62.1-33-177.623.6-33.9000112.6R256 C270R256-P268 PolarHBondContact NH1-O 3.02Å; P268-C270 PolarHBondContact O-N 2.81Å
269S93.4Very high94.1Very high18 Ų1833.6 Ų33.613%0.12617%0.173CC..THydrogen-bonded Turntrans-68.9-14.117681.40000113.8H267 N306 F333H267-S269 VanDerWaalsContact C-N 3.26Å; H267-S269 PolarHBondContact CE1-OG 3.19Å; H267-S269 PolarHBondContact ND1-OG 2.82Å; H267-S269 PolarHBondContact O-N 3.16Å; S269-N306 PolarHBondContact O-ND2 3.19Å; S269-F333 PolarHBondContact OG-N 2.8Å
270C95.1Very high94.3Very high2 Ų228.7 Ų28.71%0.01415%0.154CC..SBendtrans-86.2140.2-179.4-66.60000110.8I265 H267 P268 F331I265-C270 HydrophobicContact CB-CB 4.37Å; I265-C270 HydrophobicContact CG2-CB 4.07Å; I265-C270 WeakPolarHBondContact CG2-SG 3.24Å; H267-C270 HydrophobicContact CB-CB 4.41Å; H267-C270 WeakPolarHBondContact O-CB 3.38Å; H267-C270 PolarHBondContact O-N 3.01Å; P268-C270 PolarHBondContact O-N 2.81Å; C270-F331 PolarHBondContact SG-O 2.79Å
271S94.9Very high94.4Very high33 Ų3331 Ų3123%0.23117%0.166CC..  trans-72.6158.1179.7-55.50000111R256 Q273 S304 G305R256-S271 PolarHBondContact N-O 3.27Å; S271-Q273 VanDerWaalsContact C-N 3.29Å; S271-Q273 VanDerWaalsContact CB-O 3.26Å; S271-Q273 WeakPolarHBondContact CB-O 3.43Å; S271-Q273 PolarHBondContact O-N 3.33Å; S271-S304 WeakPolarHBondContact OG-CA 3.44Å; S271-S304 WeakPolarHBondContact OG-CB 3.43Å; S271-G305 PolarHBondContact OG-N 3.27Å
272K94Very high94.3Very high134 Ų13432.1 Ų32.158%0.58317%0.172SC*.SBendtrans-52.1-50.4178.6-70.4178.3-178.8175.80111.4R256 Q257R256-K272 PolarHBondContact N-O 3.11Å; Q257-K272 HydrophobicContact CB-CB 4.11Å; Q257-K272 WeakPolarHBondContact CB-O 3.45Å; Q257-K272 PolarHBondContact N-O 3.44Å
273Q94.9Very high94.2Very high15 Ų1533.6 Ų33.67%0.0718%0.176CC..SBendtrans-114.4117.9164-59.6175.924.400104.4V214 L253 I260 S271 L302V214-Q273 PolarHBondContact O-NE2 3.08Å; L253-Q273 HydrophobicContact CD1-CB 4.09Å; L253-Q273 HydrophobicContact CD1-CG 4.27Å; L253-Q273 HydrophobicContact CD2-CG 4.19Å; I260-Q273 HydrophobicContact CD1-CG 3.63Å; S271-Q273 VanDerWaalsContact C-N 3.29Å; S271-Q273 VanDerWaalsContact CB-O 3.26Å; S271-Q273 WeakPolarHBondContact CB-O 3.43Å; S271-Q273 PolarHBondContact O-N 3.33Å; Q273-L302 HydrophobicContact CB-CD1 4.05Å
274H95.9Very high94Very high0 Ų038.1 Ų38.10%019%0.194CC..  trans-110.4-59.6-171.2-176.586.2000110.6L254 L302 S304 G307 T308 F331L254-H274 WeakPolarHBondContact O-CB 3.13Å; L254-H274 PolarHBondContact O-N 2.71Å; H274-L302 PolarHBondContact O-N 3.06Å; H274-S304 VanDerWaalsContact CE1-CB 3.42Å; H274-S304 WeakPolarHBondContact CE1-CB 3.42Å; H274-S304 PolarHBondContact CE1-OG 3.03Å; H274-S304 WeakPolarHBondContact ND1-CB 3.2Å; H274-S304 PolarHBondContact ND1-OG 3.13Å; H274-G307 PolarHBondContact CE1-O 3.23Å; H274-G307 VanDerWaalsContact CE1-O 3.22Å; H274-G307 PolarHBondContact NE2-O 3.46Å; H274-T308 PolarHBondContact NE2-OG1 3.2Å; H274-F331 AromaticContact CD2-CD1 3.36Å; H274-F331 WeakPolarHBondContact CD2-CD1 3.26Å; H274-F331 AromaticContact CD2-CG 3.88Å; H274-F331 WeakPolarHBondContact NE2-CB 3.25Å; H274-F331 AromaticContact NE2-CD1 3.46Å; H274-F331 WeakPolarHBondContact NE2-CD1 3.35Å; H274-F331 AromaticContact NE2-CG 3.89Å
275A96.9Very high93.8Very high0 Ų040.6 Ų40.60%021%0.208CC..EExtended strand (participates in β ladder)trans-140.4164.2177.200000110.3L254 I299 I300 F331L254-A275 WeakPolarHBondContact CA-O 3.46Å; L254-A275 PolarHBondContact N-O 2.96Å; L254-A275 PolarHBondContact O-N 3.32Å; A275-I299 HydrophobicContact CB-CD1 3.94Å; A275-I299 HydrophobicContact CB-CG1 4.35Å; A275-I300 CarbonylContact C-O 3.58Å; A275-I300 VanDerWaalsContact CA-O 3.25Å; A275-I300 WeakPolarHBondContact CA-O 3.5Å; A275-I300 WeakPolarHBondContact CB-O 3.42Å; A275-F331 HydrophobicContact CB-CE1 4.03Å
276V96.7Very high93.5Very high4 Ų445.8 Ų45.82%0.02423%0.227CC..EExtended strand (participates in β ladder)trans-123129.9169.71740000109.2Y217 A251 Y252 L253 I300 L302Y217-V276 HydrophobicContact CD1-CB 4.13Å; Y217-V276 HydrophobicContact CD1-CG1 3.77Å; Y217-V276 HydrophobicContact CD1-CG2 3.86Å; Y217-V276 HydrophobicContact CD2-CG2 4.49Å; Y217-V276 HydrophobicContact CE1-CB 4.25Å; Y217-V276 HydrophobicContact CE1-CG1 3.59Å; Y217-V276 HydrophobicContact CE1-CG2 4.47Å; Y217-V276 HydrophobicContact CG-CB 4.3Å; Y217-V276 HydrophobicContact CG-CG1 4.43Å; Y217-V276 HydrophobicContact CG-CG2 3.85Å; A251-V276 HydrophobicContact CB-CG1 4.13Å; Y252-V276 WeakPolarHBondContact O-CA 3.17Å; L253-V276 HydrophobicContact CD1-CG2 3.72Å; V276-I300 HydrophobicContact CB-CG2 3.98Å; V276-I300 PolarHBondContact N-O 3.06Å; V276-I300 WeakPolarHBondContact O-CG2 3.48Å; V276-I300 PolarHBondContact O-N 3.32Å; V276-L302 HydrophobicContact CG2-CD1 3.76Å; V276-L302 HydrophobicContact CG2-CD2 4.17Å; V276-L302 HydrophobicContact CG2-CG 4.16Å
277F96.8Very high93.3Very high2 Ų248 Ų481%0.00925%0.254CS..EExtended strand (participates in β ladder)trans-84.7125.1165.2-167.4-65.8000107.5I246 A251 Y252 L254 Y279 P297 Y298 L323 L340I246-F277 HydrophobicContact CD1-CD2 4.27Å; I246-F277 HydrophobicContact CD1-CE1 4.11Å; I246-F277 HydrophobicContact CD1-CE2 3.62Å; I246-F277 HydrophobicContact CD1-CZ 3.53Å; A251-F277 CarbonylContact C-O 3.55Å; A251-F277 WeakPolarHBondContact CA-O 3.4Å; Y252-F277 PolarHBondContact N-O 3.25Å; Y252-F277 PolarHBondContact O-N 2.84Å; L254-F277 HydrophobicContact CD1-CB 3.92Å; F277-Y279 HydrophobicContact CD1-CD2 4.36Å; F277-Y279 AromaticContact CD1-CE2 3.94Å; F277-Y279 HydrophobicContact CD1-CE2 3.94Å; F277-Y279 HydrophobicContact CE1-CD1 4.3Å; F277-Y279 HydrophobicContact CE1-CD2 4.1Å; F277-Y279 AromaticContact CE1-CE1 3.75Å; F277-Y279 HydrophobicContact CE1-CE1 3.75Å; F277-Y279 AromaticContact CE1-CE2 3.5Å; F277-Y279 HydrophobicContact CE1-CE2 3.5Å; F277-Y279 VanDerWaalsContact CE1-CE2 3.5Å; F277-Y279 HydrophobicContact CE1-CG 4.46Å; F277-Y279 AromaticContact CE1-CZ 3.31Å; F277-Y279 WeakPolarHBondContact CE1-OH 3.47Å; F277-Y279 HydrophobicContact CZ-CE1 4.33Å; F277-Y279 HydrophobicContact CZ-CE2 4.5Å; F277-Y279 AromaticContact CZ-CZ 3.96Å; F277-P297 HydrophobicContact CE1-CB 3.5Å; F277-P297 HydrophobicContact CE2-CB 4.4Å; F277-P297 HydrophobicContact CZ-CB 3.32Å; F277-P297 HydrophobicContact CZ-CG 4.47Å; F277-Y298 CarbonylContact C-O 3.53Å; F277-Y298 WeakPolarHBondContact CA-O 3.48Å; F277-L323 HydrophobicContact CD2-CD1 3.82Å; F277-L323 HydrophobicContact CE2-CD1 3.34Å; F277-L323 HydrophobicContact CZ-CD1 3.92Å; F277-L340 HydrophobicContact CE2-CD1 4.11Å; F277-L340 HydrophobicContact CE2-CD2 4.16Å; F277-L340 HydrophobicContact CZ-CD1 4.12Å; F277-L340 HydrophobicContact CZ-CD2 4.13Å
278Q96.7Very high92.9Very high0 Ų052 Ų520%028%0.277CS..EExtended strand (participates in β ladder)trans-131.5126-176.6178.869.571.400111Y217 P220 S250 R280 Y298 Y320Y217-Q278 WeakPolarHBondContact OH-CG 3.37Å; Y217-Q278 PolarHBondContact OH-OE1 3.21Å; Y217-Q278 VanDerWaalsContact OH-OE1 3.05Å; P220-Q278 HydrophobicContact CG-CG 4.29Å; S250-Q278 PolarHBondContact O-NE2 3.5Å; Q278-R280 HydrophobicContact CG-CG 3.83Å; Q278-Y298 PolarHBondContact N-O 2.73Å; Q278-Y298 PolarHBondContact O-N 3.33Å; Q278-Y320 HydrophobicContact CB-CE1 4.3Å; Q278-Y320 HydrophobicContact CG-CE1 4.36Å
279Y96.5Very high92.7Very high0 Ų049.6 Ų49.60%027%0.271CS..EExtended strand (participates in β ladder)trans-84.2124.9165.8-69.4-76.2000110.8A223 R224 P226 W230 I246 S250 Y252 F277 V295 R296 P297A223-Y279 WeakPolarHBondContact CA-O 3.37Å; R224-Y279 PolarHBondContact N-O 3.03Å; R224-Y279 WeakPolarHBondContact O-CB 3.24Å; P226-Y279 HydrophobicContact CB-CD1 3.82Å; P226-Y279 HydrophobicContact CB-CE1 3.89Å; P226-Y279 HydrophobicContact CB-CG 4.24Å; P226-Y279 HydrophobicContact CG-CD1 3.86Å; P226-Y279 HydrophobicContact CG-CD2 3.93Å; P226-Y279 HydrophobicContact CG-CE1 3.74Å; P226-Y279 HydrophobicContact CG-CE2 3.83Å; P226-Y279 HydrophobicContact CG-CG 3.94Å; W230-Y279 WeakPolarHBondContact CB-OH 3.48Å; W230-Y279 AromaticContact CD1-CE1 3.43Å; W230-Y279 VanDerWaalsContact CD1-CE1 3.43Å; W230-Y279 AromaticContact CD1-CZ 3.78Å; W230-Y279 HydrophobicContact CG-CE1 4.02Å; W230-Y279 AromaticContact NE1-CE1 3.65Å; I246-Y279 WeakPolarHBondContact CD1-OH 3.46Å; I246-Y279 WeakPolarHBondContact O-CE2 3.22Å; I246-Y279 PolarHBondContact O-OH 2.92Å; S250-Y279 WeakPolarHBondContact O-CD2 3.03Å; S250-Y279 PolarHBondContact O-N 3.49Å; Y252-Y279 HydrophobicContact CE2-CE2 4.19Å; F277-Y279 HydrophobicContact CD1-CD2 4.36Å; F277-Y279 AromaticContact CD1-CE2 3.94Å; F277-Y279 HydrophobicContact CD1-CE2 3.94Å; F277-Y279 HydrophobicContact CE1-CD1 4.3Å; F277-Y279 HydrophobicContact CE1-CD2 4.1Å; F277-Y279 AromaticContact CE1-CE1 3.75Å; F277-Y279 HydrophobicContact CE1-CE1 3.75Å; F277-Y279 AromaticContact CE1-CE2 3.5Å; F277-Y279 HydrophobicContact CE1-CE2 3.5Å; F277-Y279 VanDerWaalsContact CE1-CE2 3.5Å; F277-Y279 HydrophobicContact CE1-CG 4.46Å; F277-Y279 AromaticContact CE1-CZ 3.31Å; F277-Y279 WeakPolarHBondContact CE1-OH 3.47Å; F277-Y279 HydrophobicContact CZ-CE1 4.33Å; F277-Y279 HydrophobicContact CZ-CE2 4.5Å; F277-Y279 AromaticContact CZ-CZ 3.96Å; Y279-V295 HydrophobicContact CD1-CG1 4.01Å; Y279-V295 HydrophobicContact CG-CG1 4.23Å; Y279-R296 WeakPolarHBondContact CA-O 3.37Å; Y279-P297 HydrophobicContact CD1-CB 4.06Å; Y279-P297 HydrophobicContact CE1-CB 3.71Å; Y279-P297 HydrophobicContact CE1-CG 4.46Å
280R94.8Very high92.6Very high51 Ų5152 Ų5219%0.19229%0.285CS..EExtended strand (participates in β ladder)trans-118.7141.1178-64.2175.460.8-167.3-1.9110.8P220 E222 Q278 V282 V295 R296 Y298P220-R280 HydrophobicContact CG-CG 4.34Å; E222-R280 IonicContact OE1-NH2 3.88Å; E222-R280 IonicContact OE2-CZ 3.8Å; E222-R280 IonicContact OE2-NE 2.74Å; E222-R280 PolarHBondContact OE2-NE 3.08Å; E222-R280 IonicContact OE2-NH2 3.12Å; E222-R280 PolarHBondContact OE2-NH2 3.26Å; Q278-R280 HydrophobicContact CG-CG 3.83Å; R280-V282 HydrophobicContact CB-CG2 3.95Å; R280-V282 PolarHBondContact O-N 2.98Å; R280-V295 WeakPolarHBondContact O-CA 3.5Å; R280-R296 PolarHBondContact N-O 3.16Å; R280-R296 PolarHBondContact O-N 3.19Å; R280-Y298 HydrophobicContact CB-CD2 3.89Å; R280-Y298 HydrophobicContact CB-CE2 3.94Å; R280-Y298 HydrophobicContact CG-CD2 3.96Å; R280-Y298 HydrophobicContact CG-CE2 4.44Å
281L93.6Very high92.4Very high53 Ų5357 Ų5728%0.27732%0.315SS..EExtended strand (participates in β ladder)trans-81.3102.4169.9-175.767.1000109.6E222 R224 R293 V295E222-L281 PolarHBondContact O-N 3.25Å; R224-L281 HydrophobicContact CB-CB 4.41Å; R224-L281 HydrophobicContact CG-CB 3.99Å; R224-L281 HydrophobicContact CG-CD2 4.43Å; L281-R293 HydrophobicContact CD1-CB 3.78Å; L281-R293 HydrophobicContact CG-CB 4.13Å; L281-V295 HydrophobicContact CD1-CG2 3.91Å
282V92.1Very high92.1Very high34 Ų3455.9 Ų55.921%0.20631%0.309CS..EExtended strand (participates in β ladder)trans-108.8142.9-175.8-174.80000110.2R280 R293 R294 Y298R280-V282 HydrophobicContact CB-CG2 3.95Å; R280-V282 PolarHBondContact O-N 2.98Å; V282-R293 WeakPolarHBondContact O-CA 3.2Å; V282-R294 PolarHBondContact N-O 3.15Å; V282-R294 PolarHBondContact O-N 2.98Å; V282-Y298 HydrophobicContact CG2-CE2 3.74Å
283E91.3Very high91.9Very high112 Ų11257.7 Ų57.752%0.52331%0.312SS..EExtended strand (participates in β ladder)trans-75.9139.5175.1-49.5-151.1136.200110.2G292 R293E283-G292 CarbonylContact C-O 3.59Å; E283-G292 VanDerWaalsContact CA-O 3.31Å; E283-G292 WeakPolarHBondContact CA-O 3.08Å; E283-R293 HydrophobicContact CG-CG 4.23Å; E283-R293 IonicContact OE1-CZ 3.13Å; E283-R293 IonicContact OE1-NE 2.74Å; E283-R293 PolarHBondContact OE1-NE 3.25Å; E283-R293 IonicContact OE1-NH2 2.69Å; E283-R293 PolarHBondContact OE1-NH2 3.22Å
284Y87.4Confident91.7Very high102 Ų10262.6 Ų62.640%0.433%0.33SS..EExtended strand (participates in β ladder)trans-142.1131.1-175.7163.3-106.1000109.8R286 G292 R296Y284-R286 HydrophobicContact CE1-CG 4.39Å; Y284-G292 PolarHBondContact N-O 2.99Å; Y284-G292 WeakPolarHBondContact O-CA 3.15Å; Y284-G292 PolarHBondContact O-N 3.34Å; Y284-R296 VanDerWaalsContact CD2-NH2 3.32Å
285T89.5Confident91.6Very high87 Ų8764 Ų6453%0.53434%0.338SS..EExtended strand (participates in β ladder)trans-79.1119.3174.8-46.70000109.7
286R87.5Confident91.4Very high109 Ų10966.6 Ų66.641%0.41135%0.348SS..  trans-69.1166.1173.5-60.2-172.4-169.276.50.8110.9Y284 D288 G289 T290 T291Y284-R286 HydrophobicContact CE1-CG 4.39Å; R286-D288 PolarHBondContact O-N 2.91Å; R286-G289 PolarHBondContact O-N 3.13Å; R286-T290 WeakPolarHBondContact CD-OG1 3.2Å; R286-T290 PolarHBondContact N-O 2.7Å; R286-T290 PolarHBondContact NH1-OG1 3.12Å; R286-T291 VanDerWaalsContact NH1-C 3.26Å; R286-T291 PolarHBondContact NH1-O 3.03Å
287A85.9Confident91.4Very high103 Ų10366.6 Ų66.685%0.85135%0.348SS*.THydrogen-bonded Turntrans-52.5-37.5171.500000112.1G289A287-G289 PolarHBondContact O-N 3.41Å
288D84.7Confident91.4Very high131 Ų13167.5 Ų67.570%0.70135%0.352SS*.THydrogen-bonded Turntrans-73.211.8177.9-29.6-53.3000114.1R286 T290R286-D288 PolarHBondContact O-N 2.91Å; D288-T290 PolarHBondContact O-N 2.87Å
289G87.8Confident91.4Very high52 Ų5267.5 Ų67.554%0.53635%0.352SS..SBendtrans70.4-9.3-17600000115.5R286 A287R286-G289 PolarHBondContact O-N 3.13Å; A287-G289 PolarHBondContact O-N 3.41Å
290T90.8Very high91.4Very high68 Ų6868 Ų6842%0.41735%0.354SS..  trans-72.7139.1-179.563.80000112.2R286 D288R286-T290 WeakPolarHBondContact CD-OG1 3.2Å; R286-T290 PolarHBondContact N-O 2.7Å; R286-T290 PolarHBondContact NH1-OG1 3.12Å; D288-T290 PolarHBondContact O-N 2.87Å
291T90.9Very high91.5Very high107 Ų10765.6 Ų65.666%0.65635%0.345SS*.EExtended strand (participates in β ladder)trans-73.7133.2172.652.60000110.9R286R286-T291 VanDerWaalsContact NH1-C 3.26Å; R286-T291 PolarHBondContact NH1-O 3.03Å
292G89.6Confident91.6Very high9 Ų963.9 Ų63.99%0.09334%0.336CS..EExtended strand (participates in β ladder)trans-126.4173.7173.100000110.6E283 Y284E283-G292 CarbonylContact C-O 3.59Å; E283-G292 VanDerWaalsContact CA-O 3.31Å; E283-G292 WeakPolarHBondContact CA-O 3.08Å; Y284-G292 PolarHBondContact N-O 2.99Å; Y284-G292 WeakPolarHBondContact O-CA 3.15Å; Y284-G292 PolarHBondContact O-N 3.34Å
293R89.4Confident91.7Very high172 Ų17264.2 Ų64.265%0.64935%0.347SS*.EExtended strand (participates in β ladder)trans-126.3129.4172.5-61.8-173.3171.6167.3-3.7109.2L281 V282 E283L281-R293 HydrophobicContact CD1-CB 3.78Å; L281-R293 HydrophobicContact CG-CB 4.13Å; V282-R293 WeakPolarHBondContact O-CA 3.2Å; E283-R293 HydrophobicContact CG-CG 4.23Å; E283-R293 IonicContact OE1-CZ 3.13Å; E283-R293 IonicContact OE1-NE 2.74Å; E283-R293 PolarHBondContact OE1-NE 3.25Å; E283-R293 IonicContact OE1-NH2 2.69Å; E283-R293 PolarHBondContact OE1-NH2 3.22Å
294R90.7Very high91.9Very high118 Ų11859.3 Ų59.345%0.44533%0.325SS..EExtended strand (participates in β ladder)trans-130.3137.9179.1-167.7174.1-175.5174.90.8109V282 R296V282-R294 PolarHBondContact N-O 3.15Å; V282-R294 PolarHBondContact O-N 2.98Å; R294-R296 PolarHBondContact O-N 3.15Å
295V93.4Very high92.1Very high29 Ų2957.5 Ų57.518%0.17634%0.337CS..EExtended strand (participates in β ladder)trans-76.2122.5170.9-177.80000108.2R224 P226 Y279 R280 L281R224-V295 HydrophobicContact CB-CG2 4.08Å; R224-V295 WeakPolarHBondContact O-CG1 3.48Å; P226-V295 HydrophobicContact CB-CG1 4.01Å; Y279-V295 HydrophobicContact CD1-CG1 4.01Å; Y279-V295 HydrophobicContact CG-CG1 4.23Å; R280-V295 WeakPolarHBondContact O-CA 3.5Å; L281-V295 HydrophobicContact CD1-CG2 3.91Å
296R93.9Very high92.4Very high56 Ų5656 Ų5621%0.21133%0.326CS..EExtended strand (participates in β ladder)trans-119.7141.7179.9-66.8-179.9178.2-147.8-8.6110Y279 R280 Y284 R294 Y298 E322Y279-R296 WeakPolarHBondContact CA-O 3.37Å; R280-R296 PolarHBondContact N-O 3.16Å; R280-R296 PolarHBondContact O-N 3.19Å; Y284-R296 VanDerWaalsContact CD2-NH2 3.32Å; R294-R296 PolarHBondContact O-N 3.15Å; R296-Y298 HydrophobicContact CB-CE2 3.73Å; R296-Y298 WeakPolarHBondContact O-CD2 3.39Å; R296-E322 WeakPolarHBondContact CD-OE2 3.47Å; R296-E322 IonicContact CZ-OE1 3.06Å; R296-E322 IonicContact CZ-OE2 3.03Å; R296-E322 IonicContact NE-OE1 3.19Å; R296-E322 IonicContact NH1-OE1 2.7Å; R296-E322 PolarHBondContact NH1-OE1 3.36Å; R296-E322 IonicContact NH1-OE2 3.5Å; R296-E322 PolarHBondContact NH1-OE2 3.1Å
297P95.9Very high92.7Very high4 Ų450.9 Ų50.93%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-76.1143.6172.430.2-30.7000111.4W230 F277 Y279 L323 L340W230-P297 HydrophobicContact CH2-CG 3.84Å; W230-P297 HydrophobicContact CZ2-CG 3.66Å; W230-P297 HydrophobicContact CZ3-CG 4.37Å; F277-P297 HydrophobicContact CE1-CB 3.5Å; F277-P297 HydrophobicContact CE2-CB 4.4Å; F277-P297 HydrophobicContact CZ-CB 3.32Å; F277-P297 HydrophobicContact CZ-CG 4.47Å; Y279-P297 HydrophobicContact CD1-CB 4.06Å; Y279-P297 HydrophobicContact CE1-CB 3.71Å; Y279-P297 HydrophobicContact CE1-CG 4.46Å; P297-L323 HydrophobicContact CB-CB 4.2Å; P297-L323 HydrophobicContact CG-CB 4.05Å; P297-L323 WeakPolarHBondContact CG-O 3.47Å; P297-L323 PolarHBondContact O-N 3.43Å; P297-L340 HydrophobicContact CB-CD2 4.35Å; P297-L340 HydrophobicContact CG-CD2 4.09Å
298Y96.8Very high93.3Very high20 Ų2046 Ų468%0.07827%0.266CS..EExtended strand (participates in β ladder)trans-133.7150.5172.2-69.3-94.8000110.1F277 Q278 R280 V282 R296 Y321 E322F277-Y298 CarbonylContact C-O 3.53Å; F277-Y298 WeakPolarHBondContact CA-O 3.48Å; Q278-Y298 PolarHBondContact N-O 2.73Å; Q278-Y298 PolarHBondContact O-N 3.33Å; R280-Y298 HydrophobicContact CB-CD2 3.89Å; R280-Y298 HydrophobicContact CB-CE2 3.94Å; R280-Y298 HydrophobicContact CG-CD2 3.96Å; R280-Y298 HydrophobicContact CG-CE2 4.44Å; V282-Y298 HydrophobicContact CG2-CE2 3.74Å; R296-Y298 HydrophobicContact CB-CE2 3.73Å; R296-Y298 WeakPolarHBondContact O-CD2 3.39Å; Y298-Y321 CarbonylContact C-O 3.51Å; Y298-Y321 WeakPolarHBondContact CA-O 3.29Å; Y298-Y321 WeakPolarHBondContact CB-O 3.38Å; Y298-Y321 VanDerWaalsContact CD1-C 3.45Å; Y298-Y321 WeakPolarHBondContact CD1-O 3.47Å; Y298-E322 VanDerWaalsContact CD1-CA 3.45Å; Y298-E322 HydrophobicContact CD1-CB 4.03Å; Y298-E322 VanDerWaalsContact CE1-CA 3.46Å; Y298-E322 HydrophobicContact CE1-CB 3.47Å; Y298-E322 VanDerWaalsContact CE1-CB 3.47Å; Y298-E322 HydrophobicContact CE1-CG 4.04Å; Y298-E322 PolarHBondContact OH-OE2 2.84Å
299I97Very high93.8Very high0 Ų042.5 Ų42.50%024%0.244CC..EExtended strand (participates in β ladder)trans-107.2144.7163.8-166.270.2000109.3L254 A275 T308 I315 Y320 Y321 L323 L329 F331L254-I299 HydrophobicContact CD1-CD1 4.27Å; A275-I299 HydrophobicContact CB-CD1 3.94Å; A275-I299 HydrophobicContact CB-CG1 4.35Å; I299-T308 HydrophobicContact CG1-CG2 4.33Å; I299-I315 HydrophobicContact CG1-CD1 4.44Å; I299-I315 HydrophobicContact CG2-CD1 3.72Å; I299-Y320 WeakPolarHBondContact O-CA 3.49Å; I299-Y321 PolarHBondContact N-O 3.17Å; I299-Y321 PolarHBondContact O-N 2.97Å; I299-L323 HydrophobicContact CB-CD1 4.11Å; I299-L323 HydrophobicContact CB-CD2 4.1Å; I299-L323 HydrophobicContact CB-CG 4.24Å; I299-L323 HydrophobicContact CG2-CD2 3.75Å; I299-L323 HydrophobicContact CG2-CG 4.29Å; I299-L329 HydrophobicContact CD1-CD1 4.48Å; I299-L329 HydrophobicContact CG1-CD2 4.3Å; I299-L329 HydrophobicContact CG2-CD2 4.39Å; I299-F331 HydrophobicContact CD1-CE1 4.43Å
300I97Very high94.3Very high11 Ų1141 Ų416%0.05622%0.224CC..EExtended strand (participates in β ladder)trans-136.9124.9168.3-179.6166.9000109.7Y217 A275 V276 Y320Y217-I300 HydrophobicContact CD2-CG2 4.37Å; Y217-I300 HydrophobicContact CE2-CD1 4.38Å; Y217-I300 HydrophobicContact CE2-CG2 3.82Å; A275-I300 CarbonylContact C-O 3.58Å; A275-I300 VanDerWaalsContact CA-O 3.25Å; A275-I300 WeakPolarHBondContact CA-O 3.5Å; A275-I300 WeakPolarHBondContact CB-O 3.42Å; V276-I300 HydrophobicContact CB-CG2 3.98Å; V276-I300 PolarHBondContact N-O 3.06Å; V276-I300 WeakPolarHBondContact O-CG2 3.48Å; V276-I300 PolarHBondContact O-N 3.32Å; I300-Y320 HydrophobicContact CB-CD1 3.94Å; I300-Y320 HydrophobicContact CB-CE1 4.09Å; I300-Y320 HydrophobicContact CD1-CD1 4.31Å; I300-Y320 HydrophobicContact CD1-CD2 4.26Å; I300-Y320 HydrophobicContact CD1-CE1 4.08Å; I300-Y320 HydrophobicContact CD1-CE2 4.03Å; I300-Y320 HydrophobicContact CD1-CG 4.4Å; I300-Y320 HydrophobicContact CG2-CD1 4.13Å; I300-Y320 HydrophobicContact CG2-CE1 3.82Å
301D97.3Very high94.5Very high1 Ų141.7 Ų41.71%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-80.2128173.8177.2-5.4000109.7G303 S304 G307 T308 I315 Q318D301-G303 PolarHBondContact O-N 2.96Å; D301-G303 VanDerWaalsContact O-N 3.11Å; D301-G303 PolarHBondContact OD1-N 3.06Å; D301-S304 VanDerWaalsContact CG-OG 3.25Å; D301-S304 WeakPolarHBondContact OD1-CB 3.39Å; D301-S304 PolarHBondContact OD1-N 3.48Å; D301-S304 PolarHBondContact OD1-OG 3.13Å; D301-S304 PolarHBondContact OD2-OG 3.19Å; D301-G307 WeakPolarHBondContact OD2-CA 3.4Å; D301-T308 PolarHBondContact OD2-N 3.07Å; D301-T308 VanDerWaalsContact OD2-N 3.11Å; D301-I315 HydrophobicContact CB-CD1 4.4Å; D301-Q318 PolarHBondContact O-N 3.06Å
302L95.2Very high94.6Very high17 Ų1742.1 Ų42.19%0.08922%0.223CC..  trans-84.730-174.8-60.6-174.1000113.6Y217 L253 Q273 H274 V276Y217-L302 HydrophobicContact CD2-CD2 3.73Å; Y217-L302 HydrophobicContact CG-CD2 4.08Å; L253-L302 HydrophobicContact CD1-CD1 4.02Å; Q273-L302 HydrophobicContact CB-CD1 4.05Å; H274-L302 PolarHBondContact O-N 3.06Å; V276-L302 HydrophobicContact CG2-CD1 3.76Å; V276-L302 HydrophobicContact CG2-CD2 4.17Å; V276-L302 HydrophobicContact CG2-CG 4.16Å
303G94.1Very high94.9Very high41 Ų4148.9 Ų48.942%0.42325%0.252SS..SBendtrans71.947.5-172.400000111.1D301D301-G303 PolarHBondContact O-N 2.96Å; D301-G303 VanDerWaalsContact O-N 3.11Å; D301-G303 PolarHBondContact OD1-N 3.06Å
304S94.3Very high95.2Very high8 Ų847.9 Ų47.96%0.05625%0.248CC..  trans-70.7143.9177.270.40000112.3S271 H274 D301 N306 G307S271-S304 WeakPolarHBondContact OG-CA 3.44Å; S271-S304 WeakPolarHBondContact OG-CB 3.43Å; H274-S304 VanDerWaalsContact CE1-CB 3.42Å; H274-S304 WeakPolarHBondContact CE1-CB 3.42Å; H274-S304 PolarHBondContact CE1-OG 3.03Å; H274-S304 WeakPolarHBondContact ND1-CB 3.2Å; H274-S304 PolarHBondContact ND1-OG 3.13Å; D301-S304 VanDerWaalsContact CG-OG 3.25Å; D301-S304 WeakPolarHBondContact OD1-CB 3.39Å; D301-S304 PolarHBondContact OD1-N 3.48Å; D301-S304 PolarHBondContact OD1-OG 3.13Å; D301-S304 PolarHBondContact OD2-OG 3.19Å; S304-N306 PolarHBondContact O-N 3.44Å; S304-G307 PolarHBondContact O-N 3.3Å; S304-G307 WeakPolarHBondContact OG-CA 3.43Å; S304-G307 PolarHBondContact OG-N 3.07Å
305G92.8Very high95.5Very high65 Ų6542.8 Ų42.867%0.6723%0.23SC*.THydrogen-bonded Turntrans-62.7-37.8-172.100000114.2S271S271-G305 PolarHBondContact OG-N 3.27Å
306N94.8Very high95.7Very high56 Ų5646.4 Ų46.430%0.29924%0.244SC..THydrogen-bonded Turntrans-102.12.1179.7-64.9-57000113.4S269 S304 F333S269-N306 PolarHBondContact O-ND2 3.19Å; S304-N306 PolarHBondContact O-N 3.44Å; N306-F333 HydrophobicContact CB-CE2 4.22Å; N306-F333 WeakPolarHBondContact OD1-CE2 3.25Å
307G95.3Very high95.7Very high0 Ų046.9 Ų46.90%026%0.256CS..  trans73.3164.2-178.300000115.7H274 D301 S304 G332H274-G307 PolarHBondContact CE1-O 3.23Å; H274-G307 VanDerWaalsContact CE1-O 3.22Å; H274-G307 PolarHBondContact NE2-O 3.46Å; D301-G307 WeakPolarHBondContact OD2-CA 3.4Å; S304-G307 PolarHBondContact O-N 3.3Å; S304-G307 WeakPolarHBondContact OG-CA 3.43Å; S304-G307 PolarHBondContact OG-N 3.07Å; G307-G332 PolarHBondContact O-N 2.97Å
308T97Very high95.6Very high0 Ų054 Ų540%029%0.29CS..EExtended strand (participates in β ladder)trans-98.9150.3164.2-62.40000110.7H274 I299 D301 I315 F331H274-T308 PolarHBondContact NE2-OG1 3.2Å; I299-T308 HydrophobicContact CG1-CG2 4.33Å; D301-T308 PolarHBondContact OD2-N 3.07Å; D301-T308 VanDerWaalsContact OD2-N 3.11Å; T308-I315 HydrophobicContact CG2-CD1 3.75Å; T308-I315 HydrophobicContact CG2-CG1 4.08Å; T308-I315 WeakPolarHBondContact O-CG1 3.48Å; T308-I315 PolarHBondContact O-N 2.9Å; T308-F331 HydrophobicContact CG2-CD1 3.74Å; T308-F331 HydrophobicContact CG2-CE1 3.61Å
309Y96.7Very high95.6Very high58 Ų5859.3 Ų59.323%0.22731%0.309CS..EExtended strand (participates in β ladder)trans-124137.8177.2-60.9-105000109.9Q313 R314 K330Y309-Q313 CarbonylContact C-O 3.55Å; Y309-Q313 VanDerWaalsContact CA-O 3.28Å; Y309-Q313 WeakPolarHBondContact CA-O 3.18Å; Y309-R314 HydrophobicContact CD1-CB 3.88Å; Y309-R314 HydrophobicContact CE1-CB 3.74Å; Y309-R314 HydrophobicContact CE1-CG 4.27Å; Y309-K330 PolarHBondContact N-O 3Å; Y309-K330 PolarHBondContact O-N 3.33Å
310L96.6Very high95.5Very high22 Ų2262.5 Ų62.512%0.11532%0.322CS..EExtended strand (participates in β ladder)trans-124.9122.4176.617462000107.5N312 Q313 I315 L323 D327 V328 L329L310-N312 PolarHBondContact O-N 3.48Å; L310-Q313 PolarHBondContact N-O 3.41Å; L310-Q313 WeakPolarHBondContact O-CB 3.43Å; L310-Q313 PolarHBondContact O-N 3.12Å; L310-I315 HydrophobicContact CB-CG2 3.7Å; L310-I315 HydrophobicContact CD2-CG2 4.41Å; L310-L323 HydrophobicContact CD1-CD2 3.62Å; L310-L323 HydrophobicContact CD2-CD2 4.06Å; L310-L323 HydrophobicContact CG-CD2 4.49Å; L310-D327 HydrophobicContact CD1-CB 3.85Å; L310-V328 CarbonylContact C-O 3.56Å; L310-V328 WeakPolarHBondContact CA-O 3.33Å; L310-L329 HydrophobicContact CB-CD2 4.37Å; L310-L329 HydrophobicContact CD1-CD2 3.82Å; L310-L329 HydrophobicContact CD1-CG 4.42Å
311N95.3Very high95.5Very high82 Ų8264.5 Ų64.544%0.43933%0.329SS..THydrogen-bonded Turntrans4946.7-175.2-58-24.9000111.8Q313 D327 V328N311-Q313 PolarHBondContact O-N 3.16Å; N311-D327 PolarHBondContact ND2-OD1 2.95Å; N311-D327 WeakPolarHBondContact OD1-CA 3.43Å; N311-V328 PolarHBondContact N-O 3.03Å; N311-V328 PolarHBondContact OD1-N 3.23Å
312N94.1Very high95.4Very high115 Ų11567.7 Ų67.762%0.61534%0.344SS*.THydrogen-bonded Turntrans60.91.2-174.2-62.3-17.4000116.7L310L310-N312 PolarHBondContact O-N 3.48Å
313Q95.8Very high95.4Very high151 Ų15167 Ų6771%0.70634%0.34SS*.EExtended strand (participates in β ladder)trans-93.1130.9173-170.1174.620.800111.1Y309 L310 N311 I315Y309-Q313 CarbonylContact C-O 3.55Å; Y309-Q313 VanDerWaalsContact CA-O 3.28Å; Y309-Q313 WeakPolarHBondContact CA-O 3.18Å; L310-Q313 PolarHBondContact N-O 3.41Å; L310-Q313 WeakPolarHBondContact O-CB 3.43Å; L310-Q313 PolarHBondContact O-N 3.12Å; N311-Q313 PolarHBondContact O-N 3.16Å; Q313-I315 PolarHBondContact O-N 3.31Å
314R96.1Very high95.4Very high151 Ų15171.5 Ų71.557%0.5735%0.348SS*.EExtended strand (participates in β ladder)trans-67.5129.6174.8-171.5-179.9177.4-142.60.5110.4Y309Y309-R314 HydrophobicContact CD1-CB 3.88Å; Y309-R314 HydrophobicContact CE1-CB 3.74Å; Y309-R314 HydrophobicContact CE1-CG 4.27Å
315I96.7Very high95.3Very high12 Ų1274.4 Ų74.46%0.06236%0.361CS..PPolyproline II helixtrans-91157.9176.264.3169.4000112I299 D301 T308 L310 Q313 Y321I299-I315 HydrophobicContact CG1-CD1 4.44Å; I299-I315 HydrophobicContact CG2-CD1 3.72Å; D301-I315 HydrophobicContact CB-CD1 4.4Å; T308-I315 HydrophobicContact CG2-CD1 3.75Å; T308-I315 HydrophobicContact CG2-CG1 4.08Å; T308-I315 WeakPolarHBondContact O-CG1 3.48Å; T308-I315 PolarHBondContact O-N 2.9Å; L310-I315 HydrophobicContact CB-CG2 3.7Å; L310-I315 HydrophobicContact CD2-CG2 4.41Å; Q313-I315 PolarHBondContact O-N 3.31Å; I315-Y321 HydrophobicContact CB-CD1 4.48Å; I315-Y321 HydrophobicContact CB-CD2 3.85Å; I315-Y321 HydrophobicContact CB-CE1 4.33Å; I315-Y321 HydrophobicContact CB-CE2 3.68Å; I315-Y321 HydrophobicContact CB-CG 4.26Å; I315-Y321 HydrophobicContact CD1-CD2 4.03Å; I315-Y321 HydrophobicContact CG1-CD2 4.46Å; I315-Y321 HydrophobicContact CG2-CD1 4.1Å; I315-Y321 HydrophobicContact CG2-CD2 4.21Å; I315-Y321 HydrophobicContact CG2-CE1 4.21Å; I315-Y321 HydrophobicContact CG2-CE2 4.33Å; I315-Y321 HydrophobicContact CG2-CG 4.09Å
316E96.6Very high95.4Very high104 Ų10476.9 Ų76.949%0.48635%0.353SS..PPolyproline II helixtrans-71.2141.5173.5-65.9163.5-155.500111.2R319 Y321E316-R319 HydrophobicContact CB-CB 4.29Å; E316-R319 IonicContact OE1-NH1 2.66Å; E316-R319 PolarHBondContact OE1-NH1 3.2Å; E316-R319 WeakPolarHBondContact OE2-CD 3.26Å; E316-R319 IonicContact OE2-CZ 3.78Å; E316-R319 IonicContact OE2-NE 2.76Å; E316-R319 IonicContact OE2-NH1 2.66Å; E316-R319 PolarHBondContact OE2-NH1 3.15Å; E316-Y321 HydrophobicContact CB-CE2 4.12Å; E316-Y321 VanDerWaalsContact CB-OH 3.24Å; E316-Y321 WeakPolarHBondContact CB-OH 3.35Å; E316-Y321 VanDerWaalsContact CD-OH 3.32Å; E316-Y321 VanDerWaalsContact CG-OH 3.22Å; E316-Y321 WeakPolarHBondContact CG-OH 3.42Å; E316-Y321 PolarHBondContact N-OH 2.99Å; E316-Y321 VanDerWaalsContact N-OH 3.08Å
317S94.9Very high95.5Very high66 Ų6675 Ų7546%0.46234%0.343SS..BIsolated β-bridgetrans-68.6152.5172.752.50000111.8R319S317-R319 PolarHBondContact O-N 2.93Å
318Q93.9Very high95.5Very high155 Ų15576.7 Ų76.772%0.72435%0.354SS*.THydrogen-bonded Turntrans60.311.4176.9-57.1179.6-18.400115.5D301D301-Q318 PolarHBondContact O-N 3.06Å
319R95.4Very high95.5Very high130 Ų13076.8 Ų76.849%0.49135%0.354SS..  trans-113.3140.5178-176.3172.9-178.5177-1.5111E316 S317 Y321E316-R319 HydrophobicContact CB-CB 4.29Å; E316-R319 IonicContact OE1-NH1 2.66Å; E316-R319 PolarHBondContact OE1-NH1 3.2Å; E316-R319 WeakPolarHBondContact OE2-CD 3.26Å; E316-R319 IonicContact OE2-CZ 3.78Å; E316-R319 IonicContact OE2-NE 2.76Å; E316-R319 IonicContact OE2-NH1 2.66Å; E316-R319 PolarHBondContact OE2-NH1 3.15Å; S317-R319 PolarHBondContact O-N 2.93Å; R319-Y321 HydrophobicContact CB-CD2 4.46Å; R319-Y321 HydrophobicContact CB-CE2 3.88Å; R319-Y321 HydrophobicContact CG-CD2 4.37Å; R319-Y321 HydrophobicContact CG-CE2 3.87Å
320Y95.9Very high95.5Very high67 Ų6776.6 Ų76.626%0.26335%0.354SS..EExtended strand (participates in β ladder)trans-81.4122.7173.7-68.1-80.4000110.8Y217 Q278 I299 I300Y217-Y320 HydrophobicContact CE2-CE1 4.38Å; Y217-Y320 WeakPolarHBondContact CE2-OH 3.06Å; Y217-Y320 WeakPolarHBondContact OH-CE1 3.42Å; Y217-Y320 PolarHBondContact OH-OH 3.37Å; Q278-Y320 HydrophobicContact CB-CE1 4.3Å; Q278-Y320 HydrophobicContact CG-CE1 4.36Å; I299-Y320 WeakPolarHBondContact O-CA 3.49Å; I300-Y320 HydrophobicContact CB-CD1 3.94Å; I300-Y320 HydrophobicContact CB-CE1 4.09Å; I300-Y320 HydrophobicContact CD1-CD1 4.31Å; I300-Y320 HydrophobicContact CD1-CD2 4.26Å; I300-Y320 HydrophobicContact CD1-CE1 4.08Å; I300-Y320 HydrophobicContact CD1-CE2 4.03Å; I300-Y320 HydrophobicContact CD1-CG 4.4Å; I300-Y320 HydrophobicContact CG2-CD1 4.13Å; I300-Y320 HydrophobicContact CG2-CE1 3.82Å
321Y96.7Very high95.4Very high53 Ų5375.6 Ų75.621%0.20835%0.349CS..EExtended strand (participates in β ladder)trans-106.9128.3170.7-73.9-98.7000109.5Y298 I299 I315 E316 R319 L323Y298-Y321 CarbonylContact C-O 3.51Å; Y298-Y321 WeakPolarHBondContact CA-O 3.29Å; Y298-Y321 WeakPolarHBondContact CB-O 3.38Å; Y298-Y321 VanDerWaalsContact CD1-C 3.45Å; Y298-Y321 WeakPolarHBondContact CD1-O 3.47Å; I299-Y321 PolarHBondContact N-O 3.17Å; I299-Y321 PolarHBondContact O-N 2.97Å; I315-Y321 HydrophobicContact CB-CD1 4.48Å; I315-Y321 HydrophobicContact CB-CD2 3.85Å; I315-Y321 HydrophobicContact CB-CE1 4.33Å; I315-Y321 HydrophobicContact CB-CE2 3.68Å; I315-Y321 HydrophobicContact CB-CG 4.26Å; I315-Y321 HydrophobicContact CD1-CD2 4.03Å; I315-Y321 HydrophobicContact CG1-CD2 4.46Å; I315-Y321 HydrophobicContact CG2-CD1 4.1Å; I315-Y321 HydrophobicContact CG2-CD2 4.21Å; I315-Y321 HydrophobicContact CG2-CE1 4.21Å; I315-Y321 HydrophobicContact CG2-CE2 4.33Å; I315-Y321 HydrophobicContact CG2-CG 4.09Å; E316-Y321 HydrophobicContact CB-CE2 4.12Å; E316-Y321 VanDerWaalsContact CB-OH 3.24Å; E316-Y321 WeakPolarHBondContact CB-OH 3.35Å; E316-Y321 VanDerWaalsContact CD-OH 3.32Å; E316-Y321 VanDerWaalsContact CG-OH 3.22Å; E316-Y321 WeakPolarHBondContact CG-OH 3.42Å; E316-Y321 PolarHBondContact N-OH 2.99Å; E316-Y321 VanDerWaalsContact N-OH 3.08Å; R319-Y321 HydrophobicContact CB-CD2 4.46Å; R319-Y321 HydrophobicContact CB-CE2 3.88Å; R319-Y321 HydrophobicContact CG-CD2 4.37Å; R319-Y321 HydrophobicContact CG-CE2 3.87Å; Y321-L323 PolarHBondContact O-N 3.46Å
322E95.5Very high95.3Very high68 Ų6871.8 Ų71.832%0.31833%0.33SS..EExtended strand (participates in β ladder)trans-69.5127.9176.4-174.1169.2139.900109.4R296 Y298R296-E322 WeakPolarHBondContact CD-OE2 3.47Å; R296-E322 IonicContact CZ-OE1 3.06Å; R296-E322 IonicContact CZ-OE2 3.03Å; R296-E322 IonicContact NE-OE1 3.19Å; R296-E322 IonicContact NH1-OE1 2.7Å; R296-E322 PolarHBondContact NH1-OE1 3.36Å; R296-E322 IonicContact NH1-OE2 3.5Å; R296-E322 PolarHBondContact NH1-OE2 3.1Å; Y298-E322 VanDerWaalsContact CD1-CA 3.45Å; Y298-E322 HydrophobicContact CD1-CB 4.03Å; Y298-E322 VanDerWaalsContact CE1-CA 3.46Å; Y298-E322 HydrophobicContact CE1-CB 3.47Å; Y298-E322 VanDerWaalsContact CE1-CB 3.47Å; Y298-E322 HydrophobicContact CE1-CG 4.04Å; Y298-E322 PolarHBondContact OH-OE2 2.84Å
323L95.6Very high95.3Very high3 Ų372.8 Ų72.82%0.01633%0.328CS..  trans-92.9142173.4-58.6176.3000110.3F277 P297 I299 L310 Y321 L329 L340F277-L323 HydrophobicContact CD2-CD1 3.82Å; F277-L323 HydrophobicContact CE2-CD1 3.34Å; F277-L323 HydrophobicContact CZ-CD1 3.92Å; P297-L323 HydrophobicContact CB-CB 4.2Å; P297-L323 HydrophobicContact CG-CB 4.05Å; P297-L323 WeakPolarHBondContact CG-O 3.47Å; P297-L323 PolarHBondContact O-N 3.43Å; I299-L323 HydrophobicContact CB-CD1 4.11Å; I299-L323 HydrophobicContact CB-CD2 4.1Å; I299-L323 HydrophobicContact CB-CG 4.24Å; I299-L323 HydrophobicContact CG2-CD2 3.75Å; I299-L323 HydrophobicContact CG2-CG 4.29Å; L310-L323 HydrophobicContact CD1-CD2 3.62Å; L310-L323 HydrophobicContact CD2-CD2 4.06Å; L310-L323 HydrophobicContact CG-CD2 4.49Å; Y321-L323 PolarHBondContact O-N 3.46Å; L323-L329 HydrophobicContact CD1-CD1 3.98Å; L323-L329 HydrophobicContact CD2-CD1 4.47Å; L323-L329 HydrophobicContact CD2-CD2 4.02Å; L323-L329 HydrophobicContact CD2-CG 4.48Å; L323-L340 HydrophobicContact CB-CD2 3.56Å; L323-L340 HydrophobicContact CD1-CD2 3.92Å; L323-L340 HydrophobicContact CG-CD2 4.4Å
324K93.4Very high95.1Very high136 Ų13665.8 Ų65.859%0.59130%0.296SS*.  trans-109.1172.5173.7-66179.6-177.7174.60110.2D327 L340K324-D327 PolarHBondContact N-OD2 2.94Å; K324-L340 WeakPolarHBondContact O-CD2 3.48Å
325E92.4Very high94.9Very high68 Ų6861.1 Ų61.132%0.31829%0.287SS..THydrogen-bonded Turntrans-68147168.8-168.8-169.9169.800110.3D327 L341 H342 S345E325-D327 PolarHBondContact O-N 3.33Å; E325-L341 HydrophobicContact CG-CD2 4.22Å; E325-H342 IonicContact OE1-CE1 3.27Å; E325-H342 PolarHBondContact OE1-CE1 3.49Å; E325-H342 VanDerWaalsContact OE1-CE1 3.27Å; E325-H342 IonicContact OE1-ND1 3.82Å; E325-H342 IonicContact OE1-NE2 3.99Å; E325-H342 IonicContact OE2-CE1 3Å; E325-H342 PolarHBondContact OE2-CE1 3.49Å; E325-H342 IonicContact OE2-NE2 3.07Å; E325-H342 PolarHBondContact OE2-NE2 2.8Å; E325-S345 WeakPolarHBondContact OE1-CA 3.39Å; E325-S345 WeakPolarHBondContact OE1-CB 3.39Å; E325-S345 PolarHBondContact OE1-OG 3.06Å
326K94.2Very high94.8Very high118 Ų11863 Ų6351%0.51329%0.293SS..THydrogen-bonded Turntrans65.93-175.1-50.3-169.8178-1710115L340 L341K326-L340 PolarHBondContact N-O 3.47Å; K326-L341 HydrophobicContact CG-CD2 3.96Å
327D96.4Very high94.7Very high17 Ų1760.9 Ų60.99%0.09128%0.283CS..  trans-64.7139.6172.7-84.3-11.8000111.6L310 N311 K324 E325 V339 L340L310-D327 HydrophobicContact CD1-CB 3.85Å; N311-D327 PolarHBondContact ND2-OD1 2.95Å; N311-D327 WeakPolarHBondContact OD1-CA 3.43Å; K324-D327 PolarHBondContact N-OD2 2.94Å; E325-D327 PolarHBondContact O-N 3.33Å; D327-V339 WeakPolarHBondContact O-CA 3.42Å; D327-L340 PolarHBondContact O-N 3.32Å
328V96.3Very high94.7Very high35 Ų3557.8 Ų57.821%0.21226%0.261CS..EExtended strand (participates in β ladder)trans-105.7123.6178.6-172.50000109.9L310 N311 E337 V339L310-V328 CarbonylContact C-O 3.56Å; L310-V328 WeakPolarHBondContact CA-O 3.33Å; N311-V328 PolarHBondContact N-O 3.03Å; N311-V328 PolarHBondContact OD1-N 3.23Å; V328-E337 HydrophobicContact CG1-CB 4.03Å; V328-V339 HydrophobicContact CG2-CG2 4.39Å
329L96.7Very high94.8Very high2 Ų251.8 Ų51.81%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-105.2136.6175.4-71.6168.9000111.4I299 L310 L323 F331 Y338I299-L329 HydrophobicContact CD1-CD1 4.48Å; I299-L329 HydrophobicContact CG1-CD2 4.3Å; I299-L329 HydrophobicContact CG2-CD2 4.39Å; L310-L329 HydrophobicContact CB-CD2 4.37Å; L310-L329 HydrophobicContact CD1-CD2 3.82Å; L310-L329 HydrophobicContact CD1-CG 4.42Å; L323-L329 HydrophobicContact CD1-CD1 3.98Å; L323-L329 HydrophobicContact CD2-CD1 4.47Å; L323-L329 HydrophobicContact CD2-CD2 4.02Å; L323-L329 HydrophobicContact CD2-CG 4.48Å; L329-F331 HydrophobicContact CB-CE2 4.3Å; L329-F331 HydrophobicContact CB-CZ 4.03Å; L329-F331 HydrophobicContact CD1-CZ 4.42Å; L329-Y338 PolarHBondContact N-O 2.99Å; L329-Y338 PolarHBondContact O-N 3.19Å
330K95.9Very high94.8Very high54 Ų5445.6 Ų45.624%0.23521%0.212CC..EExtended strand (participates in β ladder)trans-138.3142.2177-172173.4-165.1159.40110.1Y309 S334 E337Y309-K330 PolarHBondContact N-O 3Å; Y309-K330 PolarHBondContact O-N 3.33Å; K330-S334 WeakPolarHBondContact CE-O 3.31Å; K330-E337 HydrophobicContact CD-CG 4.24Å; K330-E337 WeakPolarHBondContact CE-OE1 3.36Å; K330-E337 HydrophobicContact CG-CG 4.49Å; K330-E337 IonicContact NZ-OE1 3.19Å; K330-E337 PolarHBondContact NZ-OE1 2.66Å
331F95.9Very high94.7Very high0 Ų044 Ų440%021%0.208CC..EExtended strand (participates in β ladder)trans-123.3113.6-167.3-60.9-65.6000111L254 I265 C270 H274 A275 I299 T308 L329 F333 S334 Y338L254-F331 HydrophobicContact CD2-CE2 3.92Å; L254-F331 HydrophobicContact CD2-CZ 3.77Å; I265-F331 HydrophobicContact CD1-CB 3.83Å; I265-F331 HydrophobicContact CD1-CD1 4.14Å; I265-F331 HydrophobicContact CD1-CD2 3.38Å; I265-F331 HydrophobicContact CD1-CE2 3.92Å; I265-F331 HydrophobicContact CD1-CG 3.5Å; I265-F331 HydrophobicContact CD1-CZ 4.48Å; I265-F331 HydrophobicContact CG1-CD2 4.1Å; I265-F331 HydrophobicContact CG2-CB 4.39Å; C270-F331 PolarHBondContact SG-O 2.79Å; H274-F331 AromaticContact CD2-CD1 3.36Å; H274-F331 WeakPolarHBondContact CD2-CD1 3.26Å; H274-F331 AromaticContact CD2-CG 3.88Å; H274-F331 WeakPolarHBondContact NE2-CB 3.25Å; H274-F331 AromaticContact NE2-CD1 3.46Å; H274-F331 WeakPolarHBondContact NE2-CD1 3.35Å; H274-F331 AromaticContact NE2-CG 3.89Å; A275-F331 HydrophobicContact CB-CE1 4.03Å; I299-F331 HydrophobicContact CD1-CE1 4.43Å; T308-F331 HydrophobicContact CG2-CD1 3.74Å; T308-F331 HydrophobicContact CG2-CE1 3.61Å; L329-F331 HydrophobicContact CB-CE2 4.3Å; L329-F331 HydrophobicContact CB-CZ 4.03Å; L329-F331 HydrophobicContact CD1-CZ 4.42Å; F331-F333 PolarHBondContact O-N 3.06Å; F331-S334 VanDerWaalsContact O-CB 3.28Å; F331-S334 WeakPolarHBondContact O-CB 3.31Å; F331-S334 PolarHBondContact O-N 2.92Å; F331-S334 VanDerWaalsContact O-N 3.11Å; F331-Y338 AromaticContact CD2-CD2 3.82Å; F331-Y338 HydrophobicContact CD2-CD2 3.82Å; F331-Y338 AromaticContact CD2-CE2 3.62Å; F331-Y338 HydrophobicContact CD2-CE2 3.62Å; F331-Y338 AromaticContact CE2-CD2 3.61Å; F331-Y338 HydrophobicContact CE2-CD2 3.61Å; F331-Y338 AromaticContact CE2-CE2 3.77Å; F331-Y338 HydrophobicContact CE2-CE2 3.77Å; F331-Y338 HydrophobicContact CE2-CG 4.25Å
332G93.8Very high94.4Very high3 Ų342 Ų423%0.03120%0.2CC..THydrogen-bonded Turntrans48-133-168.300000112.2G307 S334G307-G332 PolarHBondContact O-N 2.97Å; G332-S334 VanDerWaalsContact C-N 3.34Å
333F92.6Very high93.8Very high135 Ų13542 Ų4259%0.59220%0.201SC*.THydrogen-bonded Turntrans-93.523.9177.6-53.1-60.8000113.6H267 S269 N306 F331H267-F333 PolarHBondContact CE1-O 3.11Å; S269-F333 PolarHBondContact OG-N 2.8Å; N306-F333 HydrophobicContact CB-CE2 4.22Å; N306-F333 WeakPolarHBondContact OD1-CE2 3.25Å; F331-F333 PolarHBondContact O-N 3.06Å
334S92.4Very high92.8Very high4 Ų449 Ų493%0.02823%0.231CC..  trans-67.3138.2176.8-165.20000110.9H267 K330 F331 G332 R336H267-S334 PolarHBondContact ND1-N 2.79Å; K330-S334 WeakPolarHBondContact CE-O 3.31Å; F331-S334 VanDerWaalsContact O-CB 3.28Å; F331-S334 WeakPolarHBondContact O-CB 3.31Å; F331-S334 PolarHBondContact O-N 2.92Å; F331-S334 VanDerWaalsContact O-N 3.11Å; G332-S334 VanDerWaalsContact C-N 3.34Å; S334-R336 PolarHBondContact O-N 3.03Å; S334-R336 PolarHBondContact OG-N 3.27Å
335S91.4Very high91.5Very high54 Ų5443.1 Ų43.138%0.37821%0.207SC..SBendtrans-78.41.5167.275.40000113.5N237N237-S335 VanDerWaalsContact OD1-CB 3.23Å; N237-S335 WeakPolarHBondContact OD1-CB 3.12Å; N237-S335 PolarHBondContact OD1-OG 3.35Å
336R94.1Very high89.7Confident52 Ų5245.7 Ų45.720%0.19622%0.223CC..EExtended strand (participates in β ladder)trans-83.4126.9170.9-65.2-175.4-176.3168.42.8110.3F235 K236 P264 D266 S334 Y338F235-R336 CarbonylContact O-C 3.53Å; F235-R336 VanDerWaalsContact O-CA 3.23Å; F235-R336 WeakPolarHBondContact O-CA 3.31Å; K236-R336 HydrophobicContact CB-CG 4.11Å; K236-R336 HydrophobicContact CG-CG 4.05Å; P264-R336 PolarHBondContact O-NH1 3.23Å; D266-R336 IonicContact OD2-CZ 3.48Å; D266-R336 IonicContact OD2-NH1 2.71Å; D266-R336 PolarHBondContact OD2-NH1 3.27Å; D266-R336 IonicContact OD2-NH2 2.97Å; D266-R336 PolarHBondContact OD2-NH2 2.94Å; S334-R336 PolarHBondContact O-N 3.03Å; S334-R336 PolarHBondContact OG-N 3.27Å; R336-Y338 HydrophobicContact CB-CE2 3.73Å; R336-Y338 WeakPolarHBondContact CD-OH 3.45Å
337E95.3Very high87.8Confident59 Ų5943.6 Ų43.628%0.27622%0.22SC..EExtended strand (participates in β ladder)trans-116.8142.7175-56.8-164.6167.900108.9P234 F235 V328 K330P234-E337 CarbonylContact C-O 3.59Å; P234-E337 WeakPolarHBondContact CA-O 3.45Å; F235-E337 PolarHBondContact N-O 2.95Å; F235-E337 PolarHBondContact O-N 3.12Å; V328-E337 HydrophobicContact CG1-CB 4.03Å; K330-E337 HydrophobicContact CD-CG 4.24Å; K330-E337 WeakPolarHBondContact CE-OE1 3.36Å; K330-E337 HydrophobicContact CG-CG 4.49Å; K330-E337 IonicContact NZ-OE1 3.19Å; K330-E337 PolarHBondContact NZ-OE1 2.66Å
338Y95.6Very high85.8Confident0 Ų045.6 Ų45.60%024%0.235CC..EExtended strand (participates in β ladder)trans-126.4107.2-170.8-61.1-99.9000109.4L232 Y233 P234 L329 F331 R336L232-Y338 HydrophobicContact CD2-CD1 3.55Å; L232-Y338 HydrophobicContact CD2-CE1 4.41Å; L232-Y338 HydrophobicContact CD2-CG 4.14Å; L232-Y338 HydrophobicContact CG-CD1 4.1Å; L232-Y338 HydrophobicContact CG-CG 4.49Å; Y233-Y338 WeakPolarHBondContact O-CA 3.46Å; P234-Y338 HydrophobicContact CB-CD1 3.78Å; P234-Y338 HydrophobicContact CB-CE1 3.81Å; L329-Y338 PolarHBondContact N-O 2.99Å; L329-Y338 PolarHBondContact O-N 3.19Å; F331-Y338 AromaticContact CD2-CD2 3.82Å; F331-Y338 HydrophobicContact CD2-CD2 3.82Å; F331-Y338 AromaticContact CD2-CE2 3.62Å; F331-Y338 HydrophobicContact CD2-CE2 3.62Å; F331-Y338 AromaticContact CE2-CD2 3.61Å; F331-Y338 HydrophobicContact CE2-CD2 3.61Å; F331-Y338 AromaticContact CE2-CE2 3.77Å; F331-Y338 HydrophobicContact CE2-CE2 3.77Å; F331-Y338 HydrophobicContact CE2-CG 4.25Å; R336-Y338 HydrophobicContact CB-CE2 3.73Å; R336-Y338 WeakPolarHBondContact CD-OH 3.45Å
339V95.5Very high83.8Confident30 Ų3050.7 Ų50.718%0.18226%0.257CS..EExtended strand (participates in β ladder)trans-87.6129-179.9-170.60000109.8Y233 F235 D327 V328 L341Y233-V339 PolarHBondContact N-O 2.91Å; Y233-V339 PolarHBondContact O-N 2.8Å; F235-V339 HydrophobicContact CD2-CG2 3.9Å; F235-V339 HydrophobicContact CE2-CB 4.28Å; F235-V339 HydrophobicContact CE2-CG2 3.72Å; D327-V339 WeakPolarHBondContact O-CA 3.42Å; V328-V339 HydrophobicContact CG2-CG2 4.39Å; V339-L341 HydrophobicContact CG1-CD1 4.24Å; V339-L341 HydrophobicContact CG1-CG 4.18Å
340L95.1Very high81.8Confident0 Ų055 Ų550%028%0.283CS..EExtended strand (participates in β ladder)trans-92.8116.2178.2-179.262.3000111.6W230 L232 I246 F277 P297 L323 K324 K326 D327W230-L340 HydrophobicContact CD2-CD1 4.42Å; W230-L340 HydrophobicContact CE3-CD1 3.62Å; W230-L340 HydrophobicContact CE3-CD2 4.05Å; W230-L340 HydrophobicContact CE3-CG 3.72Å; W230-L340 HydrophobicContact CZ3-CD1 4.2Å; W230-L340 HydrophobicContact CZ3-CD2 3.85Å; W230-L340 HydrophobicContact CZ3-CG 3.75Å; L232-L340 HydrophobicContact CD1-CB 4.49Å; L232-L340 HydrophobicContact CD1-CD1 4.39Å; I246-L340 HydrophobicContact CD1-CD1 3.57Å; F277-L340 HydrophobicContact CE2-CD1 4.11Å; F277-L340 HydrophobicContact CE2-CD2 4.16Å; F277-L340 HydrophobicContact CZ-CD1 4.12Å; F277-L340 HydrophobicContact CZ-CD2 4.13Å; P297-L340 HydrophobicContact CB-CD2 4.35Å; P297-L340 HydrophobicContact CG-CD2 4.09Å; L323-L340 HydrophobicContact CB-CD2 3.56Å; L323-L340 HydrophobicContact CD1-CD2 3.92Å; L323-L340 HydrophobicContact CG-CD2 4.4Å; K324-L340 WeakPolarHBondContact O-CD2 3.48Å; K326-L340 PolarHBondContact N-O 3.47Å; D327-L340 PolarHBondContact O-N 3.32Å
341L93.8Very high79.5Confident34 Ų3456.8 Ų56.818%0.17830%0.295CS..EExtended strand (participates in β ladder)trans-133.6170.5-179.9-73.2165.8000111.1W230 R231 Y233 E325 K326 V339W230-L341 WeakPolarHBondContact CA-O 3.48Å; R231-L341 PolarHBondContact N-O 3.44Å; R231-L341 PolarHBondContact O-N 2.97Å; R231-L341 VanDerWaalsContact O-N 3.07Å; Y233-L341 HydrophobicContact CD2-CB 3.92Å; Y233-L341 HydrophobicContact CD2-CD1 3.78Å; Y233-L341 HydrophobicContact CD2-CG 4.32Å; Y233-L341 HydrophobicContact CE2-CB 3.72Å; Y233-L341 HydrophobicContact CE2-CD1 3.92Å; Y233-L341 HydrophobicContact CE2-CG 4.43Å; Y233-L341 HydrophobicContact CG-CD1 4.4Å; E325-L341 HydrophobicContact CG-CD2 4.22Å; K326-L341 HydrophobicContact CG-CD2 3.96Å; V339-L341 HydrophobicContact CG1-CD1 4.24Å; V339-L341 HydrophobicContact CG1-CG 4.18Å
342H89.9Confident77.4Confident9 Ų960.1 Ų60.14%0.04232%0.315CS..EExtended strand (participates in β ladder)trans-141.7166.7175.554.739000112.5R228 R229 W230 E325 F344 S345R228-H342 PolarHBondContact NH1-CD2 2.91Å; R228-H342 PolarHBondContact NH1-NE2 3.48Å; R228-H342 PolarHBondContact NH2-CD2 3.21Å; R228-H342 PolarHBondContact NH2-CE1 2.94Å; R228-H342 VanDerWaalsContact NH2-CE1 3.3Å; R228-H342 PolarHBondContact NH2-NE2 2.71Å; R229-H342 WeakPolarHBondContact O-CA 3.42Å; W230-H342 HydrophobicContact CD2-CB 4.14Å; W230-H342 HydrophobicContact CE3-CB 3.92Å; W230-H342 AromaticContact CE3-CD2 3.95Å; W230-H342 AromaticContact CH2-CD2 3.68Å; W230-H342 HydrophobicContact CZ3-CB 4.4Å; W230-H342 AromaticContact CZ3-CD2 3.58Å; E325-H342 IonicContact OE1-CE1 3.27Å; E325-H342 PolarHBondContact OE1-CE1 3.49Å; E325-H342 VanDerWaalsContact OE1-CE1 3.27Å; E325-H342 IonicContact OE1-ND1 3.82Å; E325-H342 IonicContact OE1-NE2 3.99Å; E325-H342 IonicContact OE2-CE1 3Å; E325-H342 PolarHBondContact OE2-CE1 3.49Å; E325-H342 IonicContact OE2-NE2 3.07Å; E325-H342 PolarHBondContact OE2-NE2 2.8Å; H342-F344 PolarHBondContact O-N 3.01Å; H342-S345 PolarHBondContact CE1-OG 2.99Å; H342-S345 PolarHBondContact N-OG 3.24Å; H342-S345 VanDerWaalsContact N-OG 3.12Å; H342-S345 PolarHBondContact ND1-N 2.72Å; H342-S345 VanDerWaalsContact ND1-N 3.14Å; H342-S345 PolarHBondContact ND1-OG 3.11Å; H342-S345 WeakPolarHBondContact O-CB 3.34Å; H342-S345 PolarHBondContact O-N 2.78Å; H342-S345 PolarHBondContact O-OG 2.79Å
343E82.6Confident75.4Confident70 Ų7066.7 Ų66.733%0.32734%0.343SS..THydrogen-bonded Turntrans-58.9-15.9-176.3-176.4162.5-103.600116.2R229 R231R229-E343 HydrophobicContact CB-CB 3.98Å; R229-E343 WeakPolarHBondContact CD-OE1 3.46Å; R229-E343 WeakPolarHBondContact CD-OE2 3.47Å; R229-E343 WeakPolarHBondContact CG-OE2 3.5Å; R229-E343 IonicContact CZ-OE1 3.72Å; R229-E343 IonicContact CZ-OE2 3.69Å; R229-E343 IonicContact NE-OE1 3.97Å; R229-E343 IonicContact NE-OE2 3.62Å; R229-E343 VanDerWaalsContact NH1-CD 3.34Å; R229-E343 IonicContact NH1-OE1 2.73Å; R229-E343 PolarHBondContact NH1-OE1 3.1Å; R229-E343 IonicContact NH1-OE2 3.23Å; R229-E343 PolarHBondContact NH1-OE2 3.17Å; R229-E343 PolarHBondContact O-N 2.79Å; R231-E343 IonicContact NH2-OE1 3.23Å; R231-E343 PolarHBondContact NH2-OE1 3.27Å
344F74.9Confident73.4Confident150 Ų15066.6 Ų66.666%0.65834%0.344SS*.THydrogen-bonded Turntrans-109.926.5173.7-54.6-77.1000112.2H342H342-F344 PolarHBondContact O-N 3.01Å
345S66.9Low71.4Confident12 Ų1273.2 Ų73.28%0.08438%0.375CS..SBendtrans-77.2130.6167.7-67.10000107.7E325 H342 T347E325-S345 WeakPolarHBondContact OE1-CA 3.39Å; E325-S345 WeakPolarHBondContact OE1-CB 3.39Å; E325-S345 PolarHBondContact OE1-OG 3.06Å; H342-S345 PolarHBondContact CE1-OG 2.99Å; H342-S345 PolarHBondContact N-OG 3.24Å; H342-S345 VanDerWaalsContact N-OG 3.12Å; H342-S345 PolarHBondContact ND1-N 2.72Å; H342-S345 VanDerWaalsContact ND1-N 3.14Å; H342-S345 PolarHBondContact ND1-OG 3.11Å; H342-S345 WeakPolarHBondContact O-CB 3.34Å; H342-S345 PolarHBondContact O-N 2.78Å; H342-S345 PolarHBondContact O-OG 2.79Å; S345-T347 PolarHBondContact O-N 2.82Å
346D54.4Low69.6Low121 Ų12176.7 Ų76.765%0.64739%0.385SS*.  trans-68.6104.8174.4-132.5-34.3000108.4S348D346-S348 WeakPolarHBondContact OD1-CB 3.48Å; D346-S348 PolarHBondContact OD1-OG 3.35Å
347T54.7Low67.7Low75 Ų7581.9 Ų81.946%0.4641%0.412SS..  trans-99.85.9174.555.80000112.1S345 E349 V350S345-T347 PolarHBondContact O-N 2.82Å; T347-E349 PolarHBondContact O-N 2.81Å; T347-V350 WeakPolarHBondContact O-CG2 3.42Å; T347-V350 PolarHBondContact O-N 2.86Å; T347-V350 VanDerWaalsContact O-N 3.11Å
348S54.1Low65.6Low58 Ų5885.8 Ų85.841%0.40644%0.435SS..Hα-helixtrans-54.9-34.2177.148.50000113.1D346 V350 V352D346-S348 WeakPolarHBondContact OD1-CB 3.48Å; D346-S348 PolarHBondContact OD1-OG 3.35Å; S348-V350 VanDerWaalsContact C-N 3.27Å; S348-V350 PolarHBondContact O-N 3.1Å; S348-V352 VanDerWaalsContact O-CG2 3.28Å; S348-V352 WeakPolarHBondContact O-CG2 3.5Å; S348-V352 PolarHBondContact O-N 3.41Å
349E53.9Low63.6Low142 Ų14292.7 Ų92.766%0.66447%0.472SS*.Hα-helixtrans-71.3-10.2179.3-61.6-179148.600115.2T347T347-E349 PolarHBondContact O-N 2.81Å
350V54.6Low61.6Low93 Ų93100.3 Ų100.356%0.56451%0.505SS*.Hα-helixtrans-107.4-30.8178.9-71.10000114.3T347 S348T347-V350 WeakPolarHBondContact O-CG2 3.42Å; T347-V350 PolarHBondContact O-N 2.86Å; T347-V350 VanDerWaalsContact O-N 3.11Å; S348-V350 VanDerWaalsContact C-N 3.27Å; S348-V350 PolarHBondContact O-N 3.1Å
351D48.8Very low59.8Low92 Ų92103.1 Ų103.149%0.49253%0.534SS..Hα-helixtrans-68.3-40.7172.5-72.7-34.1000110.7K353 Q354 E355D351-K353 PolarHBondContact O-N 3.44Å; D351-Q354 PolarHBondContact O-N 3.13Å; D351-E355 PolarHBondContact O-N 3.29Å; D351-E355 VanDerWaalsContact O-N 3.11Å
352V51.2Low57.8Low69 Ų69107.9 Ų107.942%0.41856%0.564SS.*Hα-helixtrans-58.5-33.5179.6172.40000112.6S348 E355 E356S348-V352 VanDerWaalsContact O-CG2 3.28Å; S348-V352 WeakPolarHBondContact O-CG2 3.5Å; S348-V352 PolarHBondContact O-N 3.41Å; V352-E355 PolarHBondContact O-N 3.28Å; V352-E356 HydrophobicContact CG1-CG 4.36Å; V352-E356 WeakPolarHBondContact O-CB 3.46Å; V352-E356 WeakPolarHBondContact O-CG 3.19Å; V352-E356 PolarHBondContact O-N 3.17Å
353K51.1Low55.9Low142 Ų142115.5 Ų115.562%0.61761%0.605SS**Hα-helixtrans-74.9-25178.1-77.2-169.9170-167.90114.4D351 E357D351-K353 PolarHBondContact O-N 3.44Å; K353-E357 PolarHBondContact O-N 3.4Å
354Q51.1Low53.8Low132 Ų132125.1 Ų125.162%0.61765%0.65SS**Hα-helixtrans-77.2-37.6171.1-75.4-170.3-43.700110.6D351 E356 E357 D358D351-Q354 PolarHBondContact O-N 3.13Å; Q354-E356 VanDerWaalsContact C-N 3.35Å; Q354-E357 PolarHBondContact O-N 3.01Å; Q354-D358 WeakPolarHBondContact O-CB 3.39Å; Q354-D358 PolarHBondContact O-N 2.86Å; Q354-D358 VanDerWaalsContact O-N 3.15Å
355E50.8Low52.8Low144 Ų144123.9 Ų123.967%0.67365%0.649SS**Hα-helixtrans-66.8-33.2173.6-65.6-176.9164.500112.5D351 V352D351-E355 PolarHBondContact O-N 3.29Å; D351-E355 VanDerWaalsContact O-N 3.11Å; V352-E355 PolarHBondContact O-N 3.28Å
356E53.4Low52Low126 Ų126129.7 Ų129.759%0.58968%0.679SS**Hα-helixtrans-73.6-37174.4-75175173.100113.7V352 Q354V352-E356 HydrophobicContact CG1-CG 4.36Å; V352-E356 WeakPolarHBondContact O-CB 3.46Å; V352-E356 WeakPolarHBondContact O-CG 3.19Å; V352-E356 PolarHBondContact O-N 3.17Å; Q354-E356 VanDerWaalsContact C-N 3.35Å
357E53.5Low51.9Low162 Ų162130.2 Ų130.276%0.75768%0.681SS**Hα-helixtrans-73.9-26.5176.4-82.1-174154.300113.4K353 Q354K353-E357 PolarHBondContact O-N 3.4Å; Q354-E357 PolarHBondContact O-N 3.01Å
358D52.1Low51.8Low141 Ų141133.5 Ų133.575%0.75469%0.694SS**Hα-helixtrans-82.8-13.7178.1-78.1-27.4000113.5Q354Q354-D358 WeakPolarHBondContact O-CB 3.39Å; Q354-D358 PolarHBondContact O-N 2.86Å; Q354-D358 VanDerWaalsContact O-N 3.15Å
359D52.7Low51.6Low145 Ų145138.2 Ų138.278%0.77571%0.712SS**Hα-helixtrans-97.3-21-177.7-15842.4000114G361D359-G361 PolarHBondContact O-N 3.2Å; D359-G361 VanDerWaalsContact O-N 3.11Å
360E54.1Low51.5Low190 Ų190137.9 Ų137.989%0.88872%0.715SS**THydrogen-bonded Turntrans-76.512.2173.6-68.5-162.4158.100113.7
361G56.8Low51.2Low58 Ų58141.1 Ų141.160%0.59873%0.726SS**THydrogen-bonded Turntrans-107.1-3.9-16100000118.6D359D359-G361 PolarHBondContact O-N 3.2Å; D359-G361 VanDerWaalsContact O-N 3.11Å
362V52.8Low51.4Low134 Ų134144.9 Ų144.981%0.81274%0.744SS**  trans-146.993179.8-1690000112.9
363D48.9Very low51.4Low169 Ų169151.3 Ų151.390%0.90477%0.771SS**  trans-155.2131.7146.1-105.9-28.5000111.8
364E39.8Very low51.5Low272 Ų272152.1 Ų152.1100%1.27179%0.785SS**  trans57.10171.6-124.7169.6-173.700121.6

Retrieved 364 of 364 residues in 377 ms (Link to these results)