A0A087Y6W1_POEFO Loading...

Branchpoint-bridging protein

Necessary for the ATP-dependent first step of spliceosome assembly. Binds to the intron branch point sequence (BPS) 5'-UACUAAC-3' of the pre-mRNA. May act as transcription repressor. Necessary for the splicing of pre-mRNA. Has a role in the recognition of the branch site (5'-UACUAAC-3'), the pyrimidine tract and the 3'-splice site at the 3'-end of introns.

AlphaFold DB , UniProt , Accession A0A087Y6W1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 676 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
1M33.7Very low37.9Very low239 Ų239126.9 Ų126.9100%1.17783%0.833SS**  0109.40-67.5163.5-179.700105.6
2A36.9Very low37.8Very low89 Ų89133.5 Ų133.574%0.73684%0.838SS**  84.3137.167.600000110.9
3T40.6Very low37.9Very low144 Ų144137 Ų13788%0.88385%0.846SS**  cis-166.5167.6-4.6120000108.9
4G34.1Very low37.5Very low69 Ų69140.3 Ų140.371%0.71185%0.846SS**  trans101.7111.9173.400000112
5A38Very low38.4Very low109 Ų109136.9 Ų136.990%0.90183%0.828SS**  cis63.296.427.400000113.7
6N40.2Very low38.1Very low166 Ų166135.1 Ų135.189%0.88882%0.823SS**  trans-141.9136.7156.7-163-5.6000108.3
7A37.9Very low38.3Very low76 Ų76136.9 Ų136.963%0.62883%0.825SS**  trans-158.2177.2-169.200000110.2
8T35.7Very low38.1Very low137 Ų137133.2 Ų133.284%0.8482%0.819SS**  trans82.1146.8175.5-39.70000113.4
9P47.2Very low38.1Very low118 Ų118130.8 Ų130.877%0.76682%0.815SS**  cis-113.9146.7-211.611.8000115.6
10L41Very low38.1Very low185 Ų185133.9 Ų133.997%0.96982%0.816SS**  trans-89.3141.6141.7-107.8167.8000108.7
11G31.8Very low38.2Very low64 Ų64139.2 Ų139.266%0.6682%0.821SS**  trans173.2148.7172.500000112.6
12K37Very low38.2Very low206 Ų206130.7 Ų130.790%0.89679%0.794SS**  cis-140.6138.9-3.6-67.8174.6178.4173.10109
13L38Very low38.1Very low179 Ų179136.2 Ų136.294%0.93780%0.802SS**  trans-136.6115.4168.4-84.5174.4000109.8
14H33.6Very low37.8Very low183 Ų183136.4 Ų136.485%0.84780%0.798SS**  trans-170.8154.5174.6-143.8-122.3000109.5
15P49.9Very low38.1Very low89 Ų89137.6 Ų137.658%0.57880%0.801SS**  cis-131.1178.7-47.140-29.5000112.6
16S34.1Very low37.7Very low108 Ų108135.9 Ų135.976%0.75579%0.794SS**  trans-162.6123.2132.4-84.10000111.2
17I41.6Very low38.1Very low166 Ų166134.3 Ų134.385%0.85179%0.793SS**  trans43.1115.5148.5-46.3173000116.2
18G34Very low37.9Very low70 Ų70134.2 Ų134.272%0.72280%0.8SS**  cis111.3144.637.800000109.6
19A38.2Very low37.9Very low89 Ų89133.3 Ų133.374%0.73681%0.806SS**  cis-164.8171.7-1.100000112.2
20K38.7Very low37.2Very low191 Ų191131.4 Ų131.483%0.8381%0.808SS**  trans57.6111.115075.2-162.5176.2-176.30122.2
21R39.1Very low36.9Very low246 Ų246130.9 Ų130.993%0.92881%0.806SS**  -172.1152.7103.9-102178.6-72.9-164.42.9112.7
22G34.8Very low36.8Very low60 Ų60131.1 Ų131.162%0.61981%0.808SS**  trans-79.3169.5172.600000113
23F34.1Very low36.8Very low205 Ų205129.3 Ų129.390%0.89981%0.807SS**  54.9134.373.8-76.8-91.7000112.7
24D34.8Very low37Very low148 Ų148129 Ų12979%0.79180%0.804SS**  cis-133.4-158.928.5-153.2-98.7000115
25A39.5Very low37.6Very low94 Ų94126.1 Ų126.178%0.77780%0.801SS**  trans-100.1177.8-164.700000115.7
26G30.4Very low37.2Very low74 Ų74128.1 Ų128.176%0.76381%0.812SS**  trans-164.4134.7174.600000113.7
27P49.4Very low37.6Very low132 Ų132129.2 Ų129.286%0.85782%0.816SS**  trans-110.7154.7-178.639.1-32.5000115.2
28G33.9Very low37.3Very low75 Ų75125.8 Ų125.877%0.77381%0.813SS**  trans78.2100.5133.500000121.7
29A35.7Very low38Very low117 Ų117128.2 Ų128.297%0.96782%0.816SS**  trans66.4144.1144.200000121.4
30G31.5Very low38.4Very low78 Ų78129.9 Ų129.980%0.80482%0.819SS**  trans154.9111.916900000114.4
31N34.6Very low38.2Very low175 Ų175124.5 Ų124.594%0.93682%0.818SS**  trans-57.7153.7-179.8-60.5-21.1000114.7
32G30.3Very low37.9Very low69 Ų69117.6 Ų117.671%0.71181%0.807SS**  trans153.9104.7146.300000119
33L37.3Very low38Very low167 Ų167124 Ų12487%0.87482%0.818SS**  trans44.4120.8141.3-60.9170.6000121
34M42.3Very low38.5Very low174 Ų174120.1 Ų120.186%0.85781%0.814SS**  trans-72.6151.1163.262.1-89.5171.500113.6
35P44.6Very low38.4Very low122 Ų122117.3 Ų117.379%0.79281%0.806SS**  trans-123.1164.114935.9-25.5000113.3
36T41.6Very low38Very low131 Ų131121.2 Ų121.280%0.80481%0.813SS**  trans-88.8163.3-174.137.50000114.1
37P44.3Very low38.2Very low131 Ų131125.6 Ų125.685%0.85181%0.814SS**  trans-76153.7-179.531.5-36.4000113.8
38A35.3Very low37.3Very low94 Ų94123 Ų12378%0.77780%0.798SS**  trans-138.6171.9-174.400000110.4
39P48.2Very low37.3Very low121 Ų121129.6 Ų129.679%0.78680%0.801SS**PPolyproline II helixtrans-98.3171.7-136.6-2.123.7000116.2
40P45.2Very low37.7Very low123 Ų123129.7 Ų129.780%0.79979%0.792SS**PPolyproline II helixtrans-74.1142.3176.831.3-35.4000113.2
41G36Very low37.9Very low79 Ų79130.7 Ų130.781%0.81479%0.793SS**PPolyproline II helixtrans-96.7152.4171.200000112.9
42S33.3Very low37.8Very low101 Ų101128.9 Ų128.971%0.70679%0.788SS**  trans-135.6131.8-166.3-67.70000113.7
43F36Very low38.2Very low193 Ų193133.6 Ų133.685%0.84679%0.794SS**  trans40.3138.7143-65-74.4000121.3
44P43.9Very low38.5Very low124 Ų124132.1 Ų132.181%0.80579%0.794SS**  -135.5176.377.125.5-5.6000113.1
45S32.4Very low38.2Very low89 Ų89129.2 Ų129.262%0.62279%0.791SS**  cis163.3126.7-23.3179.30000105.4
46L32.2Very low37.6Very low176 Ų176130.7 Ų130.792%0.92180%0.798SS**  trans-153.5142160.4-109.1178000110.7
47Q34.3Very low37.1Very low167 Ų167129.2 Ų129.278%0.7880%0.799SS**  trans-109.7161.5-176.2-76.5163.4-84.800109.1
48S31.3Very low36.4Very low76 Ų76132.5 Ų132.553%0.53180%0.8SS.*  cis-175.1165.8-11.245.20000109.9
49Y33.3Very low36.4Very low214 Ų214132.9 Ų132.984%0.83980%0.798SS**  trans72.1159.4166.8-53.4-63.8000118.3
50P44.5Very low36.2Very low119 Ų119132.7 Ų132.777%0.77380%0.796SS**  cis-127.7174.1-4135.5-21.2000112.5
51A35.1Very low35.6Very low100 Ų100131.1 Ų131.183%0.82679%0.793SS**  trans-100.1148.2175.800000112.5
52T31.9Very low35.4Very low136 Ų136136.4 Ų136.483%0.83480%0.797SS**  trans-138.6121.8168.5-540000110.1
53M39.9Very low35.3Very low168 Ų168140.3 Ų140.383%0.82880%0.804SS**  trans-98.9147.9160.9-63.1-171.3-169.300109.4
54P44Very low34.8Very low137 Ų137141 Ų14189%0.8981%0.807SS**  trans-80.2115.4163.831.6-30.1000110.5
55S34.6Very low34.2Very low113 Ų113140.2 Ų140.279%0.7980%0.804SS**  trans-111.9135.5164.9-71.20000109.8
56T33.3Very low34.9Very low153 Ų153142.3 Ų142.394%0.93982%0.816SS**  trans-134.5151.3163.647.20000109.3
57A30.4Very low34.7Very low100 Ų100136.8 Ų136.883%0.82680%0.801SS**  trans-127.1177.7-158.500000114.3
58F29.8Very low34.6Very low199 Ų199136.2 Ų136.287%0.87381%0.809SS**  trans-47.5161161.3-70.1-98.7000111.9
59S34.4Very low34.5Very low103 Ų103136 Ų13672%0.7282%0.819SS**  cis-158.3-161.418.8-130.90000108
60P44.7Very low34.2Very low116 Ų116135.8 Ų135.875%0.75382%0.823SS**  cis-133-163.910.844.2-25.1000114.8
61A31.3Very low33.5Very low90 Ų90134.1 Ų134.174%0.74481%0.814SS**  trans-95.7161.7179.900000113.9
62H33.6Very low33.3Very low191 Ų191134.5 Ų134.588%0.88481%0.806SS**  trans-133145.3159.5-95.9-91.4000110.8
63Q30.7Very low33.3Very low183 Ų183136.6 Ų136.686%0.85581%0.807SS**  trans-84.5149.6175.8-59.6167.3-11.500110.6
64F25.6Very low33Very low208 Ų208132.9 Ų132.991%0.91280%0.802SS**  trans-159.8141.2142.1-117.3-73.2000112.7
65S30.9Very low33Very low107 Ų107132 Ų13275%0.74880%0.797SS**  trans-161.1161172.5-85.10000107.1
66P46.9Very low33.5Very low132 Ų132132.1 Ų132.186%0.85780%0.795SS**  cis-125.6-171.3-12.541.2-26.6000112.4
67G28.5Very low33.5Very low60 Ų60134.1 Ų134.162%0.61979%0.794SS**  trans139.3122.214500000120.8
68T31.9Very low33.7Very low155 Ų155138.4 Ų138.495%0.95180%0.796SS**  trans63.9138.6139.855.30000123.4
69G29.7Very low33.7Very low71 Ų71132.6 Ų132.673%0.73279%0.793SS**  trans112.1111.9172.100000112.8
70F26.8Very low33.6Very low210 Ų210134.2 Ų134.292%0.92180%0.798SS**  49.8127.360.9-91-109.3000113.2
71S29.9Very low33.1Very low85 Ų85136.7 Ų136.759%0.59480%0.803SS**  cis-155.7142.25.6-124.60000109.9
72T30.2Very low33.2Very low108 Ų108137.9 Ų137.966%0.66381%0.806SS**  84.4135.887-58.20000116.7
73Q32.5Very low33.2Very low180 Ų180132.4 Ų132.484%0.84180%0.802SS**  trans67.5112.6169.1-77.3168.867.500117.9
74A33.2Very low33.2Very low89 Ų89132.1 Ų132.174%0.73680%0.802SS**  85.7141.566.200000114.7
75P44.1Very low34.1Very low120 Ų120127.3 Ų127.378%0.77980%0.801SS**  trans-85.4-172.4-178.141.5-41000111.2
76P45.2Very low34.3Very low115 Ų115130.8 Ų130.875%0.74780%0.803SS**  cis-142.3-171.412.145.4-27.2000116.5
77Q33.3Very low33.7Very low195 Ų195129.3 Ų129.391%0.91179%0.791SS**  -159.9164.2128.9-112.3171.329.800113.4
78Q34Very low34.4Very low189 Ų189133.6 Ų133.688%0.88380%0.8SS**  trans-96.9149.8-177.6-64.7162.1-46.800111
79G30.8Very low34.6Very low78 Ų78134.7 Ų134.780%0.80479%0.792SS**  trans-142.8107.8170.400000110.7
80V31.7Very low35.2Very low136 Ų136133.2 Ų133.282%0.82478%0.776SS**  trans-106.3114.4-179.1-1660000108.9
81I35.3Very low35.9Very low169 Ų169132.7 Ų132.787%0.86778%0.777SS**  trans-139.2130170.1-41.6178.8000109
82S33.2Very low36.8Very low115 Ų115137.7 Ų137.780%0.80479%0.788SS**  trans-87.9155.6-174.4-63.10000113.7
83G32.1Very low37.9Very low76 Ų76142.1 Ų142.178%0.78480%0.798SS**  trans88.979.4134.100000118.2
84M32.4Very low39.3Very low176 Ų176145.4 Ų145.487%0.86780%0.803SS**  trans-133108.9150.5-71-166.6179.600110.2K86M84-K86 PolarHBondContact O-N 3.38Å
85A42.6Very low40.8Very low108 Ų108150.9 Ų150.989%0.89381%0.81SS**  trans-68.7126.1174.600000110.5
86K35.4Very low41.7Very low179 Ų179151.3 Ų151.378%0.77880%0.799SS**  trans-146.597172.7-105.6160.7-173.2169.40111.6M84M84-K86 PolarHBondContact O-N 3.38Å
87T34.5Very low42.8Very low101 Ų101148.3 Ų148.362%0.6278%0.782SS**  trans60.5116.9147-38.60000118.1F89T87-F89 HydrophobicContact CG2-CD2 3.51Å; T87-F89 HydrophobicContact CG2-CE2 3.76Å; T87-F89 HydrophobicContact CG2-CG 4.47Å; T87-F89 PolarHBondContact O-N 3.01Å
88D43.8Very low43.8Very low151 Ų151150.6 Ų150.681%0.80778%0.782SS**  trans-62.7103.5161.4-169.8-67.5000109.4G90D88-G90 PolarHBondContact OD1-N 2.58Å; D88-G90 VanDerWaalsContact OD1-N 3.08Å
89F36.3Very low44.7Very low178 Ų178153.2 Ų153.278%0.78178%0.784SS**  trans-104.342.6178.8-116.5-67.3000112.4T87T87-F89 HydrophobicContact CG2-CD2 3.51Å; T87-F89 HydrophobicContact CG2-CE2 3.76Å; T87-F89 HydrophobicContact CG2-CG 4.47Å; T87-F89 PolarHBondContact O-N 3.01Å
90G41.3Very low45.5Very low39 Ų39152.2 Ų152.240%0.40277%0.765SS.*  trans62109.6157.100000116.1D88 K92D88-G90 PolarHBondContact OD1-N 2.58Å; D88-G90 VanDerWaalsContact OD1-N 3.08Å; G90-K92 PolarHBondContact O-N 3.21Å
91Q43.2Very low46.4Very low199 Ų199148.5 Ų148.593%0.9374%0.744SS**  trans-63.978.8165.4-66.4-169.33.300111.5K93Q91-K93 PolarHBondContact O-N 2.89Å
92K47.1Very low46.8Very low190 Ų190147 Ų14783%0.82673%0.734SS**  trans-61.8101.2169.9-70.2174.5-177170.50107.5G90 R94G90-K92 PolarHBondContact O-N 3.21Å; K92-R94 PolarHBondContact O-N 3.48Å; K92-R94 VanDerWaalsContact O-N 3.09Å
93K55.1Low47.4Very low202 Ų202144.8 Ų144.888%0.87872%0.715SS**  trans-38.3119.2175.3-72.2-174.7175.9-1760108.9Q91 K95Q91-K93 PolarHBondContact O-N 2.89Å; K93-K95 PolarHBondContact O-N 3.17Å
94R60.8Low48Very low249 Ų249146.8 Ų146.894%0.9471%0.714SS**PPolyproline II helixtrans-49.5116.6-179.1-93.9-179.2156.6-167.5-5.7108.2K92 K96K92-R94 PolarHBondContact O-N 3.48Å; K92-R94 VanDerWaalsContact O-N 3.09Å; R94-K96 PolarHBondContact O-N 3.19Å
95K64.6Low48.7Very low203 Ų203145 Ų14588%0.88371%0.709SS**PPolyproline II helixtrans-55.9126179.8-70.1-174.8177-1770108.4K93 S97K93-K95 PolarHBondContact O-N 3.17Å; K95-S97 PolarHBondContact O-N 3.13Å
96K63.8Low49.2Very low129 Ų129143.4 Ų143.456%0.56168%0.683SS**PPolyproline II helixtrans-49.6116177.2-176.773.2171.9-174.50108.7R94 R98 E102R94-K96 PolarHBondContact O-N 3.19Å; K96-R98 PolarHBondContact O-N 3.24Å; K96-E102 IonicContact NZ-OE2 2.74Å; K96-E102 PolarHBondContact NZ-OE2 3.37Å
97S66.8Low50.2Low53 Ų53142.3 Ų142.337%0.37168%0.678SS.*PPolyproline II helixtrans-66.1131.6-177.8167.20000109.6K95 W99 S100K95-S97 PolarHBondContact O-N 3.13Å; S97-W99 PolarHBondContact O-N 2.88Å; S97-W99 VanDerWaalsContact O-N 3.08Å; S97-W99 PolarHBondContact OG-N 3.4Å; S97-W99 VanDerWaalsContact OG-N 3.12Å; S97-S100 VanDerWaalsContact CB-OG 3.26Å; S97-S100 WeakPolarHBondContact CB-OG 3.12Å; S97-S100 PolarHBondContact O-N 2.97Å; S97-S100 PolarHBondContact OG-N 3.44Å; S97-S100 PolarHBondContact OG-OG 3.38Å
98R54.5Low51.5Low243 Ų243140 Ų14092%0.91766%0.664SS**THydrogen-bonded Turntrans-63.3-11.2172.8-68.5-177.966.71600.5113K96K96-R98 PolarHBondContact O-N 3.24Å
99W54Low52.5Low243 Ų243137.5 Ų137.592%0.9265%0.654SS**THydrogen-bonded Turntrans-116.614.7-177.5-56.4104.2000112.6S97S97-W99 PolarHBondContact O-N 2.88Å; S97-W99 VanDerWaalsContact O-N 3.08Å; S97-W99 PolarHBondContact OG-N 3.4Å; S97-W99 VanDerWaalsContact OG-N 3.12Å
100S48.2Very low54Low58 Ų58129.6 Ų129.641%0.40662%0.62SS.*  trans-140.6117.1-177.4-41.20000112.6S97S97-S100 VanDerWaalsContact CB-OG 3.26Å; S97-S100 WeakPolarHBondContact CB-OG 3.12Å; S97-S100 PolarHBondContact O-N 2.97Å; S97-S100 PolarHBondContact OG-N 3.44Å; S97-S100 PolarHBondContact OG-OG 3.38Å
101S49.5Very low55.4Low57 Ų57133.1 Ų133.140%0.39964%0.635SS.*  trans-48.7160139.937.80000110.5T103 Q106S101-T103 VanDerWaalsContact C-N 3.31Å; S101-T103 PolarHBondContact O-N 3.46Å; S101-Q106 VanDerWaalsContact CB-CB 3.46Å; S101-Q106 WeakPolarHBondContact OG-CB 3.38Å; S101-Q106 PolarHBondContact OG-O 3.44Å
102E43.8Very low56.5Low139 Ų139127.7 Ų127.765%0.6563%0.633SS**SBendtrans-71.4-20.9-152.5-160.1135.885.300115.3K96K96-E102 IonicContact NZ-OE2 2.74Å; K96-E102 PolarHBondContact NZ-OE2 3.37Å
103T44.8Very low57.8Low67 Ų67119.4 Ų119.441%0.41160%0.597SS.*SBendtrans-128.3155.7172.462.80000110.9S101 D105 Q106S101-T103 VanDerWaalsContact C-N 3.31Å; S101-T103 PolarHBondContact O-N 3.46Å; T103-D105 PolarHBondContact O-N 2.67Å; T103-Q106 PolarHBondContact O-N 2.73Å
104P45.2Very low58.9Low118 Ų118113.4 Ų113.477%0.76658%0.579SS**G310 helixtrans-58.3-26.3174.924.5-34.8000113.1Q106 K107P104-Q106 PolarHBondContact O-N 2.95Å; P104-K107 PolarHBondContact O-N 3.48Å
105D47.2Very low59.9Low140 Ų140105.9 Ų105.975%0.74956%0.561SS**G310 helixtrans-68.8-19.2176.9-40.9-83.6000113T103 K107T103-D105 PolarHBondContact O-N 2.67Å; D105-K107 PolarHBondContact O-N 3.2Å
106Q52.6Low60.8Low73 Ų73101.3 Ų101.334%0.34155%0.55SS..G310 helixtrans-85.118.4172.8-68.7-166.9-51.500113.5S101 T103 P104 T108S101-Q106 VanDerWaalsContact CB-CB 3.46Å; S101-Q106 WeakPolarHBondContact OG-CB 3.38Å; S101-Q106 PolarHBondContact OG-O 3.44Å; T103-Q106 PolarHBondContact O-N 2.73Å; P104-Q106 PolarHBondContact O-N 2.95Å; Q106-T108 PolarHBondContact O-N 3.13Å
107K56.5Low61.9Low156 Ų15698.1 Ų98.168%0.67854%0.538SS*.SBendtrans-70.2109.6163.9-174.7-179.9-180-176.10108.5P104 D105 V109P104-K107 PolarHBondContact O-N 3.48Å; D105-K107 PolarHBondContact O-N 3.2Å; K107-V109 PolarHBondContact O-N 2.96Å
108T61.7Low62.8Low52 Ų5297.5 Ų97.532%0.31953%0.533SS..  trans-51.5106.8169.2-77.90000109.9Q106 I110 D137 R140Q106-T108 PolarHBondContact O-N 3.13Å; T108-I110 HydrophobicContact CG2-CD1 3.98Å; T108-I110 HydrophobicContact CG2-CG1 3.85Å; T108-D137 HydrophobicContact CG2-CB 4.41Å; T108-D137 WeakPolarHBondContact CG2-OD1 3.38Å; T108-D137 PolarHBondContact OG1-OD1 3.38Å; T108-R140 PolarHBondContact OG1-NH2 2.9Å; T108-R140 VanDerWaalsContact OG1-NH2 3.12Å
109V64.8Low64.3Low99 Ų9992.1 Ų92.160%0.653%0.529SS*.  trans-112.4114164.11780000105.9K107 P111K107-V109 PolarHBondContact O-N 2.96Å; V109-P111 WeakPolarHBondContact O-CD 3.31Å
110I67.6Low65.9Low13 Ų1384.5 Ų84.57%0.06753%0.526CS..  trans-90115.9176.3-66.8157.3000106.7T108 G112 M113 L133 E136 D137T108-I110 HydrophobicContact CG2-CD1 3.98Å; T108-I110 HydrophobicContact CG2-CG1 3.85Å; I110-G112 PolarHBondContact O-N 3.38Å; I110-M113 HydrophobicContact CG2-CB 4.27Å; I110-M113 PolarHBondContact O-N 3.38Å; I110-L133 HydrophobicContact CD1-CD1 3.5Å; I110-L133 HydrophobicContact CD1-CG 3.71Å; I110-L133 VanDerWaalsContact CD1-O 3.26Å; I110-L133 WeakPolarHBondContact CD1-O 3.46Å; I110-E136 HydrophobicContact CD1-CB 4.44Å; I110-E136 HydrophobicContact CG2-CB 3.89Å; I110-E136 VanDerWaalsContact CG2-OE2 3.23Å; I110-E136 WeakPolarHBondContact CG2-OE2 3.26Å; I110-D137 HydrophobicContact CD1-CB 4.14Å
111P71.1Confident67.8Low112 Ų11283.5 Ų83.573%0.72752%0.516SS*.THydrogen-bonded Turntrans-63.9121.7180-21.233.8000110.3V109V109-P111 WeakPolarHBondContact O-CD 3.31Å
112G67.9Low69.8Low86 Ų8684.3 Ų84.389%0.88752%0.519SS*.THydrogen-bonded Turntrans99.1-18.1175.900000116.1I110I110-G112 PolarHBondContact O-N 3.38Å
113M73.8Confident72Confident16 Ų1686.5 Ų86.58%0.07952%0.521CS..  trans-121.3120.5178.2-164.7147.870.400113.3I110 Y129 Q132 L133 E136I110-M113 HydrophobicContact CG2-CB 4.27Å; I110-M113 PolarHBondContact O-N 3.38Å; M113-Y129 HydrophobicContact CG-CE2 3.97Å; M113-Y129 HydrophobicContact SD-CD2 4.22Å; M113-Y129 HydrophobicContact SD-CE2 3.66Å; M113-Q132 HydrophobicContact CE-CB 3.86Å; M113-Q132 HydrophobicContact CE-CG 3.86Å; M113-Q132 HydrophobicContact SD-CG 4.45Å; M113-Q132 PolarHBondContact SD-NE2 2.76Å; M113-L133 HydrophobicContact CB-CD1 4.28Å; M113-L133 VanDerWaalsContact CE-CA 3.43Å; M113-L133 HydrophobicContact CE-CB 3.92Å; M113-L133 HydrophobicContact CE-CD1 3.71Å; M113-L133 HydrophobicContact CE-CG 4.44Å; M113-L133 VanDerWaalsContact CE-N 3.34Å; M113-L133 HydrophobicContact CG-CD1 4Å; M113-E136 VanDerWaalsContact CE-CD 3.44Å; M113-E136 HydrophobicContact CE-CG 4.43Å; M113-E136 WeakPolarHBondContact CE-OE1 3.32Å; M113-E136 WeakPolarHBondContact CE-OE2 3.39Å
114P78.5Confident74.2Confident76 Ų7687.6 Ų87.649%0.49453%0.525SS..  trans-59.7151.7172.7-24.634.6000113.1V116 Y129P114-V116 VanDerWaalsContact C-N 3.28Å; P114-Y129 PolarHBondContact O-OH 3.48Å
115T80.6Confident76.3Confident91 Ų9185.3 Ų85.356%0.55850%0.504SS*.SBendtrans-92.916.8170.668.10000112.5L133T115-L133 HydrophobicContact CG2-CD2 4.33Å
116V84.6Confident78.4Confident106 Ų10682.2 Ų82.264%0.64249%0.485SS*.SBendtrans-117.7116.8-177.3179.60000107.7P114 P118P114-V116 VanDerWaalsContact C-N 3.28Å; V116-P118 WeakPolarHBondContact O-CD 3.15Å
117I85.9Confident80.3Confident63 Ų6384.3 Ų84.332%0.32349%0.49SS..PPolyproline II helixtrans-71123.6179.3-45.6-179.1000108.5L121 E126 Y129 I130I117-L121 HydrophobicContact CG2-CD2 4.34Å; I117-E126 HydrophobicContact CD1-CG 4.06Å; I117-E126 HydrophobicContact CG2-CG 4.35Å; I117-Y129 HydrophobicContact CB-CD1 4.32Å; I117-Y129 HydrophobicContact CG1-CD1 4.07Å; I117-Y129 HydrophobicContact CG1-CE1 4.37Å; I117-Y129 HydrophobicContact CG2-CD1 4.16Å; I117-I130 HydrophobicContact CD1-CD1 3.79Å; I117-I130 HydrophobicContact CD1-CG1 3.8Å
118P86.3Confident82Confident40 Ų4077.4 Ų77.426%0.2646%0.462SS..PPolyproline II helixtrans-66.2148.3175.8-24.737.5000112.5V116 L121 W582V116-P118 WeakPolarHBondContact O-CD 3.15Å; P118-L121 HydrophobicContact CB-CD1 4.29Å; P118-W582 HydrophobicContact CG-CH2 3.62Å; P118-W582 HydrophobicContact CG-CZ3 3.86Å
119P85.1Confident83.4Confident129 Ų12975.2 Ų75.284%0.83845%0.448SS*.THydrogen-bonded Turntrans-68.9150.2175.430.4-35.4000111.5
120G87.3Confident84.7Confident83 Ų8373.6 Ų73.686%0.85644%0.435SS*.THydrogen-bonded Turntrans94.2-2173.100000116.2
121L88.3Confident85.9Confident37 Ų3773.2 Ų73.219%0.19443%0.433CS..  trans-68.6147.5171.1-87.760.6000111.3I117 P118 Q125I117-L121 HydrophobicContact CG2-CD2 4.34Å; P118-L121 HydrophobicContact CB-CD1 4.29Å; L121-Q125 HydrophobicContact CB-CB 3.92Å; L121-Q125 HydrophobicContact CD2-CB 4.11Å; L121-Q125 HydrophobicContact CG-CB 3.89Å
122T92.6Very high86.8Confident75 Ų7569.8 Ų69.846%0.4641%0.407SS..  trans-68.6163.1165.673.20000110.5D124 Q125 E126T122-D124 PolarHBondContact O-N 3.28Å; T122-Q125 WeakPolarHBondContact O-CB 3.34Å; T122-Q125 PolarHBondContact O-N 3.27Å; T122-Q125 VanDerWaalsContact O-N 3.11Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.48Å; T122-Q125 PolarHBondContact OG1-N 3.18Å; T122-E126 WeakPolarHBondContact O-CB 3.37Å; T122-E126 PolarHBondContact O-N 3.15Å
123R90.3Very high87.9Confident184 Ų18467.4 Ų67.469%0.69437%0.374SS*.Hα-helixtrans-63.4-26.2-178.8-163.1163.7-167.5137.75.8113.7R127R123-R127 VanDerWaalsContact O-CG 3.27Å; R123-R127 WeakPolarHBondContact O-CG 3.38Å; R123-R127 PolarHBondContact O-N 2.9Å
124D89.6Confident88.8Confident91 Ų9170.7 Ų70.749%0.48739%0.389SS..Hα-helixtrans-82.6-32176.6-55.3-47.6000111.6T122 A128 L196T122-D124 PolarHBondContact O-N 3.28Å; D124-A128 VanDerWaalsContact O-CB 3.31Å; D124-A128 WeakPolarHBondContact O-CB 3.02Å; D124-A128 PolarHBondContact O-N 3.37Å; D124-L196 HydrophobicContact CB-CD2 4.12Å
125Q89.9Confident89.4Confident70 Ų7067.2 Ų67.233%0.32737%0.366SS..Hα-helixtrans-68.9-38.5168.3-69.2169.4-15.700112L121 T122 A128 Y129L121-Q125 HydrophobicContact CB-CB 3.92Å; L121-Q125 HydrophobicContact CD2-CB 4.11Å; L121-Q125 HydrophobicContact CG-CB 3.89Å; T122-Q125 WeakPolarHBondContact O-CB 3.34Å; T122-Q125 PolarHBondContact O-N 3.27Å; T122-Q125 VanDerWaalsContact O-N 3.11Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.48Å; T122-Q125 PolarHBondContact OG1-N 3.18Å; Q125-A128 PolarHBondContact O-N 2.85Å; Q125-Y129 WeakPolarHBondContact O-CB 3.39Å; Q125-Y129 PolarHBondContact O-N 3.45Å
126E91.4Very high89.9Confident75 Ų7565.6 Ų65.635%0.3535%0.352SS..Hα-helixtrans-58.7-51.3171.7177.6-172.2-161.400110.3I117 T122 Y129 I130I117-E126 HydrophobicContact CD1-CG 4.06Å; I117-E126 HydrophobicContact CG2-CG 4.35Å; T122-E126 WeakPolarHBondContact O-CB 3.37Å; T122-E126 PolarHBondContact O-N 3.15Å; E126-Y129 PolarHBondContact O-N 2.96Å; E126-I130 HydrophobicContact CG-CD1 4.05Å; E126-I130 WeakPolarHBondContact O-CG1 3.12Å; E126-I130 PolarHBondContact O-N 2.92Å
127R92.6Very high90.1Very high117 Ų11761.6 Ų61.644%0.44233%0.328SS..Hα-helixtrans-56-51.4173.3-77.6172169.9-79.71111.7R123 Y129 I130 V131 E192 L196R123-R127 VanDerWaalsContact O-CG 3.27Å; R123-R127 WeakPolarHBondContact O-CG 3.38Å; R123-R127 PolarHBondContact O-N 2.9Å; R127-Y129 VanDerWaalsContact C-N 3.29Å; R127-Y129 PolarHBondContact O-N 3.39Å; R127-I130 PolarHBondContact O-N 3.49Å; R127-V131 WeakPolarHBondContact O-CB 3.35Å; R127-V131 VanDerWaalsContact O-CG2 3.25Å; R127-V131 WeakPolarHBondContact O-CG2 3.45Å; R127-V131 PolarHBondContact O-N 3.43Å; R127-E192 IonicContact NH1-OE1 3.55Å; R127-L196 HydrophobicContact CB-CD1 3.69Å
128A91.8Very high90.3Very high11 Ų1158.9 Ų58.99%0.09131%0.313CS..Hα-helixtrans-56-44.3179.200000111.4D124 Q125 I130 V131 Q132 M193 L196D124-A128 VanDerWaalsContact O-CB 3.31Å; D124-A128 WeakPolarHBondContact O-CB 3.02Å; D124-A128 PolarHBondContact O-N 3.37Å; Q125-A128 PolarHBondContact O-N 2.85Å; A128-I130 PolarHBondContact O-N 2.91Å; A128-V131 PolarHBondContact O-N 3.04Å; A128-Q132 WeakPolarHBondContact O-CB 3.43Å; A128-Q132 PolarHBondContact O-N 2.86Å; A128-M193 HydrophobicContact CB-CE 4.18Å; A128-M193 HydrophobicContact CB-SD 3.97Å; A128-M193 WeakPolarHBondContact O-CE 3.44Å; A128-L196 HydrophobicContact CB-CB 4.39Å; A128-L196 HydrophobicContact CB-CD1 4.48Å
129Y91.1Very high90.5Very high6 Ų657.6 Ų57.62%0.02431%0.305CS..Hα-helixtrans-62.7-44.2177.8-170.9-113.3000113M113 P114 I117 Q125 E126 R127 Q132 L133 W582M113-Y129 HydrophobicContact CG-CE2 3.97Å; M113-Y129 HydrophobicContact SD-CD2 4.22Å; M113-Y129 HydrophobicContact SD-CE2 3.66Å; P114-Y129 PolarHBondContact O-OH 3.48Å; I117-Y129 HydrophobicContact CB-CD1 4.32Å; I117-Y129 HydrophobicContact CG1-CD1 4.07Å; I117-Y129 HydrophobicContact CG1-CE1 4.37Å; I117-Y129 HydrophobicContact CG2-CD1 4.16Å; Q125-Y129 WeakPolarHBondContact O-CB 3.39Å; Q125-Y129 PolarHBondContact O-N 3.45Å; E126-Y129 PolarHBondContact O-N 2.96Å; R127-Y129 VanDerWaalsContact C-N 3.29Å; R127-Y129 PolarHBondContact O-N 3.39Å; Y129-Q132 PolarHBondContact O-N 2.82Å; Y129-L133 PolarHBondContact O-N 3.35Å; Y129-W582 AromaticContact CD2-CE2 3.73Å; Y129-W582 AromaticContact CD2-CH2 3.57Å; Y129-W582 HydrophobicContact CD2-CH2 3.57Å; Y129-W582 AromaticContact CD2-CZ2 3.21Å; Y129-W582 HydrophobicContact CD2-CZ2 3.21Å; Y129-W582 HydrophobicContact CD2-CZ3 4.37Å; Y129-W582 HydrophobicContact CE1-CH2 4.49Å; Y129-W582 HydrophobicContact CE2-CD2 4.13Å; Y129-W582 AromaticContact CE2-CE2 3.73Å; Y129-W582 HydrophobicContact CE2-CE3 4.05Å; Y129-W582 AromaticContact CE2-CH2 3.22Å; Y129-W582 HydrophobicContact CE2-CH2 3.22Å; Y129-W582 AromaticContact CE2-CZ2 3.31Å; Y129-W582 HydrophobicContact CE2-CZ2 3.31Å; Y129-W582 AromaticContact CE2-CZ3 3.61Å; Y129-W582 HydrophobicContact CE2-CZ3 3.61Å; Y129-W582 HydrophobicContact CG-CH2 4.32Å; Y129-W582 HydrophobicContact CG-CZ2 4.08Å; Y129-W582 AromaticContact CZ-CH2 3.73Å; Y129-W582 AromaticContact CZ-CZ3 4Å
130I91.8Very high90.7Very high64 Ų6454.4 Ų54.433%0.32828%0.276SS..Hα-helixtrans-62.5-45.1175.7-65.6163.9000110.8I117 E126 R127 A128 Q132 L133 Q134I117-I130 HydrophobicContact CD1-CD1 3.79Å; I117-I130 HydrophobicContact CD1-CG1 3.8Å; E126-I130 HydrophobicContact CG-CD1 4.05Å; E126-I130 WeakPolarHBondContact O-CG1 3.12Å; E126-I130 PolarHBondContact O-N 2.92Å; R127-I130 PolarHBondContact O-N 3.49Å; A128-I130 PolarHBondContact O-N 2.91Å; I130-Q132 PolarHBondContact O-N 3.21Å; I130-L133 WeakPolarHBondContact O-CB 3.39Å; I130-L133 PolarHBondContact O-N 3.26Å; I130-Q134 WeakPolarHBondContact O-CG 3.45Å; I130-Q134 PolarHBondContact O-N 2.83Å
131V93.6Very high90.7Very high5 Ų553 Ų533%0.0325%0.247CC..Hα-helixtrans-63.7-40.1178.3169.80000110.7R127 A128 L133 Q134 I135 L189 E192 M193R127-V131 WeakPolarHBondContact O-CB 3.35Å; R127-V131 VanDerWaalsContact O-CG2 3.25Å; R127-V131 WeakPolarHBondContact O-CG2 3.45Å; R127-V131 PolarHBondContact O-N 3.43Å; A128-V131 PolarHBondContact O-N 3.04Å; V131-L133 PolarHBondContact O-N 2.65Å; V131-Q134 PolarHBondContact O-N 2.93Å; V131-I135 HydrophobicContact CG1-CD1 3.84Å; V131-I135 HydrophobicContact CG1-CG1 4.41Å; V131-I135 VanDerWaalsContact O-CG1 3.24Å; V131-I135 WeakPolarHBondContact O-CG1 3.43Å; V131-I135 PolarHBondContact O-N 3.15Å; V131-L189 HydrophobicContact CB-CD2 4.45Å; V131-L189 HydrophobicContact CG1-CB 4.04Å; V131-L189 HydrophobicContact CG1-CD2 4.01Å; V131-L189 WeakPolarHBondContact CG1-O 3.49Å; V131-L189 HydrophobicContact CG2-CD2 4.11Å; V131-E192 HydrophobicContact CG2-CG 4.41Å; V131-M193 HydrophobicContact CG1-CB 3.84Å; V131-M193 HydrophobicContact CG1-CE 4.5Å
132Q90.9Very high90.7Very high40 Ų4052 Ų5219%0.18724%0.242CC..Hα-helixtrans-60.3-46174.3-157.1-172.3-46.400111.3M113 A128 Y129 I130 Q134 I135 E136 M193 F200M113-Q132 HydrophobicContact CE-CB 3.86Å; M113-Q132 HydrophobicContact CE-CG 3.86Å; M113-Q132 HydrophobicContact SD-CG 4.45Å; M113-Q132 PolarHBondContact SD-NE2 2.76Å; A128-Q132 WeakPolarHBondContact O-CB 3.43Å; A128-Q132 PolarHBondContact O-N 2.86Å; Y129-Q132 PolarHBondContact O-N 2.82Å; I130-Q132 PolarHBondContact O-N 3.21Å; Q132-Q134 VanDerWaalsContact C-N 3.26Å; Q132-Q134 PolarHBondContact O-N 3.09Å; Q132-I135 PolarHBondContact O-N 3.16Å; Q132-I135 VanDerWaalsContact O-N 3.17Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.19Å; Q132-E136 PolarHBondContact NE2-OE1 2.83Å; Q132-E136 WeakPolarHBondContact O-CG 3.5Å; Q132-E136 PolarHBondContact O-N 2.68Å; Q132-M193 HydrophobicContact CB-CE 3.55Å; Q132-M193 HydrophobicContact CG-CE 4.05Å; Q132-F200 HydrophobicContact CG-CE2 4.46Å
133L91.1Very high90.5Very high36 Ų3657.8 Ų57.819%0.18826%0.255CS..Hα-helixtrans-59.9-37.2178.2-16273.9000111.7I110 M113 T115 Y129 I130 V131 D137I110-L133 HydrophobicContact CD1-CD1 3.5Å; I110-L133 HydrophobicContact CD1-CG 3.71Å; I110-L133 VanDerWaalsContact CD1-O 3.26Å; I110-L133 WeakPolarHBondContact CD1-O 3.46Å; M113-L133 HydrophobicContact CB-CD1 4.28Å; M113-L133 VanDerWaalsContact CE-CA 3.43Å; M113-L133 HydrophobicContact CE-CB 3.92Å; M113-L133 HydrophobicContact CE-CD1 3.71Å; M113-L133 HydrophobicContact CE-CG 4.44Å; M113-L133 VanDerWaalsContact CE-N 3.34Å; M113-L133 HydrophobicContact CG-CD1 4Å; T115-L133 HydrophobicContact CG2-CD2 4.33Å; Y129-L133 PolarHBondContact O-N 3.35Å; I130-L133 WeakPolarHBondContact O-CB 3.39Å; I130-L133 PolarHBondContact O-N 3.26Å; V131-L133 PolarHBondContact O-N 2.65Å; L133-D137 WeakPolarHBondContact O-CB 3.37Å; L133-D137 PolarHBondContact O-N 2.84Å
134Q91.1Very high90.3Very high86 Ų8653.5 Ų53.540%0.40225%0.249SC..Hα-helixtrans-72.8-41174.9-67.5171.2-23.700112.4I130 V131 Q132 E136 D137 L138 L189I130-Q134 WeakPolarHBondContact O-CG 3.45Å; I130-Q134 PolarHBondContact O-N 2.83Å; V131-Q134 PolarHBondContact O-N 2.93Å; Q132-Q134 VanDerWaalsContact C-N 3.26Å; Q132-Q134 PolarHBondContact O-N 3.09Å; Q134-E136 VanDerWaalsContact C-N 3.3Å; Q134-E136 PolarHBondContact O-N 2.75Å; Q134-D137 PolarHBondContact O-N 3.26Å; Q134-L138 WeakPolarHBondContact O-CB 3.39Å; Q134-L138 VanDerWaalsContact O-CG 3.26Å; Q134-L138 WeakPolarHBondContact O-CG 3.31Å; Q134-L138 PolarHBondContact O-N 3Å; Q134-L189 HydrophobicContact CB-CD1 3.65Å; Q134-L189 HydrophobicContact CB-CD2 4.48Å; Q134-L189 VanDerWaalsContact OE1-CD2 3.26Å
135I92.7Very high89.8Confident2 Ų251 Ų511%0.0125%0.245CC..Hα-helixtrans-59.1-42.8174.2-67.9162.9000110.7V131 Q132 T139 R186 L189 I190 M193 F200 P203V131-I135 HydrophobicContact CG1-CD1 3.84Å; V131-I135 HydrophobicContact CG1-CG1 4.41Å; V131-I135 VanDerWaalsContact O-CG1 3.24Å; V131-I135 WeakPolarHBondContact O-CG1 3.43Å; V131-I135 PolarHBondContact O-N 3.15Å; Q132-I135 PolarHBondContact O-N 3.16Å; Q132-I135 VanDerWaalsContact O-N 3.17Å; I135-T139 WeakPolarHBondContact O-CB 3.29Å; I135-T139 PolarHBondContact O-N 3.21Å; I135-T139 PolarHBondContact O-OG1 3.3Å; I135-R186 HydrophobicContact CG2-CG 4.49Å; I135-L189 HydrophobicContact CD1-CB 4.27Å; I135-L189 HydrophobicContact CG1-CB 3.71Å; I135-I190 HydrophobicContact CD1-CB 4.48Å; I135-I190 HydrophobicContact CD1-CG1 3.71Å; I135-I190 HydrophobicContact CG1-CG1 3.91Å; I135-I190 HydrophobicContact CG2-CD1 4.14Å; I135-I190 HydrophobicContact CG2-CG1 3.95Å; I135-M193 HydrophobicContact CD1-CB 4Å; I135-M193 HydrophobicContact CD1-CG 4.42Å; I135-F200 HydrophobicContact CD1-CZ 4.13Å; I135-P203 HydrophobicContact CG2-CG 3.89Å
136E89.8Confident89.4Confident57 Ų5750.9 Ų50.927%0.26625%0.247SC..Hα-helixtrans-70.1-37.4177.9-71.7176.2-152.100112.1I110 M113 Q132 Q134 R140I110-E136 HydrophobicContact CD1-CB 4.44Å; I110-E136 HydrophobicContact CG2-CB 3.89Å; I110-E136 VanDerWaalsContact CG2-OE2 3.23Å; I110-E136 WeakPolarHBondContact CG2-OE2 3.26Å; M113-E136 VanDerWaalsContact CE-CD 3.44Å; M113-E136 HydrophobicContact CE-CG 4.43Å; M113-E136 WeakPolarHBondContact CE-OE1 3.32Å; M113-E136 WeakPolarHBondContact CE-OE2 3.39Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.19Å; Q132-E136 PolarHBondContact NE2-OE1 2.83Å; Q132-E136 WeakPolarHBondContact O-CG 3.5Å; Q132-E136 PolarHBondContact O-N 2.68Å; Q134-E136 VanDerWaalsContact C-N 3.3Å; Q134-E136 PolarHBondContact O-N 2.75Å; E136-R140 WeakPolarHBondContact O-CB 3.24Å; E136-R140 PolarHBondContact O-N 3.33Å
137D89.3Confident88.8Confident23 Ų2348.4 Ų48.412%0.12324%0.236CC..Hα-helixtrans-63.7-48.3173.7-171.354.6000112.8T108 I110 L133 Q134 R140 K141T108-D137 HydrophobicContact CG2-CB 4.41Å; T108-D137 WeakPolarHBondContact CG2-OD1 3.38Å; T108-D137 PolarHBondContact OG1-OD1 3.38Å; I110-D137 HydrophobicContact CD1-CB 4.14Å; L133-D137 WeakPolarHBondContact O-CB 3.37Å; L133-D137 PolarHBondContact O-N 2.84Å; Q134-D137 PolarHBondContact O-N 3.26Å; D137-R140 PolarHBondContact O-N 2.92Å; D137-R140 IonicContact OD1-CZ 3.62Å; D137-R140 IonicContact OD1-NH1 3.55Å; D137-R140 PolarHBondContact OD1-NH1 3.21Å; D137-R140 IonicContact OD1-NH2 2.65Å; D137-R140 PolarHBondContact OD1-NH2 3.49Å; D137-K141 WeakPolarHBondContact O-CG 3.31Å; D137-K141 PolarHBondContact O-N 3.1Å; D137-K141 WeakPolarHBondContact OD2-CE 3.34Å; D137-K141 IonicContact OD2-NZ 3.71Å; D137-K141 PolarHBondContact OD2-NZ 2.87Å
138L90.4Very high87.7Confident5 Ų545.6 Ų45.63%0.02624%0.243CC..Hα-helixtrans-66.8-38.4178-62.3168.2000111.1Q134 R140 K141 L142 I182 E185 R186 L189Q134-L138 WeakPolarHBondContact O-CB 3.39Å; Q134-L138 VanDerWaalsContact O-CG 3.26Å; Q134-L138 WeakPolarHBondContact O-CG 3.31Å; Q134-L138 PolarHBondContact O-N 3Å; L138-R140 VanDerWaalsContact C-N 3.35Å; L138-R140 PolarHBondContact O-N 3.05Å; L138-K141 HydrophobicContact CD2-CD 4.39Å; L138-K141 PolarHBondContact O-N 3.06Å; L138-L142 VanDerWaalsContact O-CG 3.29Å; L138-L142 WeakPolarHBondContact O-CG 3.19Å; L138-L142 PolarHBondContact O-N 3.31Å; L138-I182 HydrophobicContact CB-CG2 4.01Å; L138-I182 HydrophobicContact CD2-CG2 3.85Å; L138-E185 HydrophobicContact CD1-CB 4.13Å; L138-E185 HydrophobicContact CD1-CG 3.86Å; L138-R186 HydrophobicContact CB-CB 4.12Å; L138-R186 HydrophobicContact CD1-CB 4.17Å; L138-L189 HydrophobicContact CD1-CD1 3.51Å
139T90.5Very high87Confident14 Ų1447.1 Ų47.19%0.08625%0.249CC..Hα-helixtrans-64.8-38.4174.2-59.70000111.6I135 L142 R143 R186I135-T139 WeakPolarHBondContact O-CB 3.29Å; I135-T139 PolarHBondContact O-N 3.21Å; I135-T139 PolarHBondContact O-OG1 3.3Å; T139-L142 PolarHBondContact O-N 3.21Å; T139-R143 WeakPolarHBondContact O-CG 3.43Å; T139-R143 PolarHBondContact O-N 3.37Å; T139-R143 VanDerWaalsContact O-N 3.12Å; T139-R186 VanDerWaalsContact OG1-CD 3.24Å; T139-R186 WeakPolarHBondContact OG1-CD 3.44Å
140R88.1Confident85.9Confident61 Ų6149.5 Ų49.523%0.2327%0.265CS..Hα-helixtrans-62.3-49.7172.4-166.2-177.375.6-90.1-8.2110.9T108 E136 D137 L138 L142 R143 T144T108-R140 PolarHBondContact OG1-NH2 2.9Å; T108-R140 VanDerWaalsContact OG1-NH2 3.12Å; E136-R140 WeakPolarHBondContact O-CB 3.24Å; E136-R140 PolarHBondContact O-N 3.33Å; D137-R140 PolarHBondContact O-N 2.92Å; D137-R140 IonicContact OD1-CZ 3.62Å; D137-R140 IonicContact OD1-NH1 3.55Å; D137-R140 PolarHBondContact OD1-NH1 3.21Å; D137-R140 IonicContact OD1-NH2 2.65Å; D137-R140 PolarHBondContact OD1-NH2 3.49Å; L138-R140 VanDerWaalsContact C-N 3.35Å; L138-R140 PolarHBondContact O-N 3.05Å; R140-L142 VanDerWaalsContact C-N 3.32Å; R140-L142 PolarHBondContact O-N 3.05Å; R140-R143 PolarHBondContact O-N 3.14Å; R140-R143 VanDerWaalsContact O-N 3.09Å; R140-T144 HydrophobicContact CG-CG2 4.11Å; R140-T144 WeakPolarHBondContact O-CG2 3.39Å; R140-T144 PolarHBondContact O-N 2.94Å; R140-T144 PolarHBondContact O-OG1 3.3Å; R140-T144 VanDerWaalsContact O-OG1 3.12Å
141K87.4Confident84.9Confident55 Ų5552.8 Ų52.824%0.23929%0.288CS..Hα-helixtrans-55.8-42.3177.2-73.2165.3170.8164.90112.9D137 L138 R143 G145 D146D137-K141 WeakPolarHBondContact O-CG 3.31Å; D137-K141 PolarHBondContact O-N 3.1Å; D137-K141 WeakPolarHBondContact OD2-CE 3.34Å; D137-K141 IonicContact OD2-NZ 3.71Å; D137-K141 PolarHBondContact OD2-NZ 2.87Å; L138-K141 HydrophobicContact CD2-CD 4.39Å; L138-K141 PolarHBondContact O-N 3.06Å; K141-R143 PolarHBondContact O-N 3.04Å; K141-G145 WeakPolarHBondContact O-CA 3.25Å; K141-G145 PolarHBondContact O-N 3.43Å; K141-D146 WeakPolarHBondContact CB-O 3.39Å; K141-D146 WeakPolarHBondContact CG-O 3.29Å; K141-D146 PolarHBondContact O-N 3.41Å
142L89.1Confident83.6Confident16 Ų1656.5 Ų56.58%0.08431%0.308CS..Hα-helixtrans-65.3-36.7176.6-70171.9000113.1L138 T139 R140 R179 I182 E183L138-L142 VanDerWaalsContact O-CG 3.29Å; L138-L142 WeakPolarHBondContact O-CG 3.19Å; L138-L142 PolarHBondContact O-N 3.31Å; T139-L142 PolarHBondContact O-N 3.21Å; R140-L142 VanDerWaalsContact C-N 3.32Å; R140-L142 PolarHBondContact O-N 3.05Å; L142-R179 HydrophobicContact CD2-CG 3.87Å; L142-R179 PolarHBondContact O-NH1 2.92Å; L142-I182 HydrophobicContact CD1-CG2 4.1Å; L142-I182 HydrophobicContact CD2-CB 3.97Å; L142-I182 HydrophobicContact CD2-CG2 3.63Å; L142-I182 HydrophobicContact CG-CB 4.45Å; L142-I182 HydrophobicContact CG-CG2 3.58Å; L142-E183 HydrophobicContact CD1-CG 3.67Å; L142-E183 HydrophobicContact CD2-CG 3.7Å; L142-E183 HydrophobicContact CG-CG 4.36Å
143R87.8Confident82.4Confident196 Ų19659.1 Ų59.174%0.7433%0.328SS*.Hα-helixtrans-78.6-39.4178.9-74.3179.762.5-166.7-1.3113.5T139 R140 K141T139-R143 WeakPolarHBondContact O-CG 3.43Å; T139-R143 PolarHBondContact O-N 3.37Å; T139-R143 VanDerWaalsContact O-N 3.12Å; R140-R143 PolarHBondContact O-N 3.14Å; R140-R143 VanDerWaalsContact O-N 3.09Å; K141-R143 PolarHBondContact O-N 3.04Å
144T85.9Confident81.4Confident93 Ų9366 Ų6657%0.57136%0.359SS*.Hα-helixtrans-80.1-22.8178.659.30000113R140 D146R140-T144 HydrophobicContact CG-CG2 4.11Å; R140-T144 WeakPolarHBondContact O-CG2 3.39Å; R140-T144 PolarHBondContact O-N 2.94Å; R140-T144 PolarHBondContact O-OG1 3.3Å; R140-T144 VanDerWaalsContact O-OG1 3.12Å; T144-D146 VanDerWaalsContact C-N 3.27Å; T144-D146 PolarHBondContact OG1-N 2.96Å
145G80.5Confident80.4Confident39 Ų3967 Ų6740%0.40237%0.368SS..  trans78.88-171.600000113.9K141 L147K141-G145 WeakPolarHBondContact O-CA 3.25Å; K141-G145 PolarHBondContact O-N 3.43Å; G145-L147 PolarHBondContact O-N 3.36Å
146D80.5Confident79.5Confident68 Ų6870.5 Ų70.536%0.36438%0.381SS..  trans-72.680.6167.8-17713.6000109.8K141 T144 G148K141-D146 WeakPolarHBondContact CB-O 3.39Å; K141-D146 WeakPolarHBondContact CG-O 3.29Å; K141-D146 PolarHBondContact O-N 3.41Å; T144-D146 VanDerWaalsContact C-N 3.27Å; T144-D146 PolarHBondContact OG1-N 2.96Å; D146-G148 PolarHBondContact O-N 3.12Å; D146-G148 PolarHBondContact OD1-N 3.05Å
147L78.8Confident78.5Confident22 Ų2272.6 Ų72.612%0.11540%0.402CS..  trans-78.52.1177.8-61179.6000112.5G145 I149 T178 R179 I182G145-L147 PolarHBondContact O-N 3.36Å; L147-I149 HydrophobicContact CB-CD1 3.93Å; L147-I149 HydrophobicContact CB-CG1 3.95Å; L147-I149 HydrophobicContact CD1-CD1 3.99Å; L147-I149 PolarHBondContact O-N 3.37Å; L147-I149 VanDerWaalsContact O-N 3.15Å; L147-T178 HydrophobicContact CB-CG2 3.93Å; L147-T178 WeakPolarHBondContact O-CG2 3.34Å; L147-R179 HydrophobicContact CD1-CB 4.36Å; L147-R179 HydrophobicContact CD2-CB 4.09Å; L147-I182 HydrophobicContact CD2-CD1 3.93Å
148G70.8Confident77.7Confident58 Ų5877.2 Ų77.260%0.59843%0.433SS*.  trans61.519.6-176.700000114.8D146 P150D146-G148 PolarHBondContact O-N 3.12Å; D146-G148 PolarHBondContact OD1-N 3.05Å; G148-P150 WeakPolarHBondContact O-CD 3.15Å
149I75.4Confident76.6Confident43 Ų4380 Ų8022%0.22145%0.453CS..  trans-73.1123.8177.2-63.8170000108.3L147 V151 R174 E175 T178L147-I149 HydrophobicContact CB-CD1 3.93Å; L147-I149 HydrophobicContact CB-CG1 3.95Å; L147-I149 HydrophobicContact CD1-CD1 3.99Å; L147-I149 PolarHBondContact O-N 3.37Å; L147-I149 VanDerWaalsContact O-N 3.15Å; I149-V151 PolarHBondContact O-N 3.26Å; I149-R174 HydrophobicContact CD1-CG 4.24Å; I149-E175 HydrophobicContact CD1-CG 4.45Å; I149-T178 HydrophobicContact CG1-CG2 4.08Å
150P69.4Low76Confident56 Ų5682.6 Ų82.636%0.36447%0.47SS..  trans-55.3134.6177.1-26.534.8000111.6G148 N152 D155 R156G148-P150 WeakPolarHBondContact O-CD 3.15Å; P150-N152 VanDerWaalsContact C-N 3.34Å; P150-D155 HydrophobicContact CB-CB 4.06Å; P150-D155 HydrophobicContact CG-CB 4.49Å; P150-R156 HydrophobicContact CB-CG 4.3Å; P150-R156 PolarHBondContact O-NE 3.22Å; P150-R156 PolarHBondContact O-NH2 3.28Å
151V69.6Low75.6Confident133 Ų13387.7 Ų87.781%0.80650%0.497SS*.SBendtrans-68.6-37.8178.1-1790000110.5I149 R156I149-V151 PolarHBondContact O-N 3.26Å; V151-R156 PolarHBondContact O-NH2 3.06Å
152N66.8Low75.2Confident83 Ų8388.2 Ų88.244%0.44451%0.505SS..SBendtrans-61.4138.1176-63.2-14.6000111.5P150 E154 D155 R156P150-N152 VanDerWaalsContact C-N 3.34Å; N152-E154 VanDerWaalsContact C-N 3.32Å; N152-E154 PolarHBondContact O-N 3.21Å; N152-D155 HydrophobicContact CB-CB 4.36Å; N152-D155 WeakPolarHBondContact CB-OD2 3.33Å; N152-D155 PolarHBondContact ND2-OD2 3.22Å; N152-R156 WeakPolarHBondContact O-CD 3.28Å; N152-R156 WeakPolarHBondContact O-CG 3.44Å; N152-R156 PolarHBondContact O-NE 2.73Å
153P66.5Low74.8Confident95 Ų9592.4 Ų92.462%0.61753%0.527SS*.SBendtrans-68.5-28.9178.124.4-29.8000113.6
154E69.4Low74.5Confident180 Ų18089.5 Ų89.584%0.84152%0.517SS*.SBendtrans-90.7-30-167.7-50.7-170.7168.600113.4N152 R156N152-E154 VanDerWaalsContact C-N 3.32Å; N152-E154 PolarHBondContact O-N 3.21Å; E154-R156 PolarHBondContact O-N 3.24Å
155D69.8Low74.3Confident109 Ų10987.1 Ų87.158%0.58350%0.501SS*.SBendtrans-72.78.3174.5-62.1-63.2000113.4P150 N152P150-D155 HydrophobicContact CB-CB 4.06Å; P150-D155 HydrophobicContact CG-CB 4.49Å; N152-D155 HydrophobicContact CB-CB 4.36Å; N152-D155 WeakPolarHBondContact CB-OD2 3.33Å; N152-D155 PolarHBondContact ND2-OD2 3.22Å
156R74.9Confident74.2Confident75 Ų7591.6 Ų91.628%0.28353%0.526SS..SBendtrans-101.1128.5-176.8-67.8157.4173.7171.82.1110.4P150 V151 N152 E154P150-R156 HydrophobicContact CB-CG 4.3Å; P150-R156 PolarHBondContact O-NE 3.22Å; P150-R156 PolarHBondContact O-NH2 3.28Å; V151-R156 PolarHBondContact O-NH2 3.06Å; N152-R156 WeakPolarHBondContact O-CD 3.28Å; N152-R156 WeakPolarHBondContact O-CG 3.44Å; N152-R156 PolarHBondContact O-NE 2.73Å; E154-R156 PolarHBondContact O-N 3.24Å
157S68.4Low74.3Confident100 Ų10094.2 Ų94.270%0.69954%0.536SS*.PPolyproline II helixtrans-52.5143.2169.1-46.30000111.6
158P72Confident74.4Confident121 Ų12195.8 Ų95.879%0.78656%0.557SS**PPolyproline II helixtrans-49.5143.2172-28.835.9000111.9
159S67.3Low74.9Confident62 Ų6298.8 Ų98.843%0.43455%0.554SS.*PPolyproline II helixtrans-76130.3177.5-173.80000109.9R177S159-R177 PolarHBondContact OG-NH1 3.12Å; S159-R177 PolarHBondContact OG-NH2 3.2Å
160P78.3Confident75.2Confident70 Ų70102.7 Ų102.746%0.45557%0.566SS.*PPolyproline II helixtrans-58164.4158.327.3-36.5000110.9
161E78.1Confident75.5Confident168 Ų168104.4 Ų104.479%0.78557%0.572SS**PPolyproline II helixtrans-59.8146.8-166.7-61.7-175.716200113.9I163E161-I163 PolarHBondContact O-N 3.04Å
162P79.2Confident76Confident65 Ų6599.1 Ų99.142%0.42254%0.539SS..  trans-61.2101.5173.9-26.738000113.1Y164 R170P162-Y164 HydrophobicContact CB-CD2 4.31Å; P162-Y164 HydrophobicContact CB-CE2 3.53Å; P162-Y164 WeakPolarHBondContact O-CD2 3.31Å; P162-Y164 VanDerWaalsContact O-CE2 3.29Å; P162-Y164 WeakPolarHBondContact O-CE2 3.4Å; P162-R170 HydrophobicContact CB-CG 4.02Å
163I81.3Confident76.8Confident104 Ų10497.2 Ų97.253%0.53353%0.53SS..  trans-79125166-51.8175.8000108.5E161 R170 L171 N172E161-I163 PolarHBondContact O-N 3.04Å; I163-R170 CarbonylContact O-C 3.48Å; I163-R170 WeakPolarHBondContact O-CA 3.29Å; I163-L171 PolarHBondContact O-N 2.83Å; I163-N172 HydrophobicContact CB-CB 4.02Å; I163-N172 HydrophobicContact CG1-CB 4.26Å; I163-N172 PolarHBondContact O-N 3.45Å
164Y81.6Confident77.6Confident136 Ų13696 Ų9653%0.53351%0.513SS..BIsolated β-bridgetrans-103.4154.3177.3-64.1-88.4000111.4P162 G168 K169 R170P162-Y164 HydrophobicContact CB-CD2 4.31Å; P162-Y164 HydrophobicContact CB-CE2 3.53Å; P162-Y164 WeakPolarHBondContact O-CD2 3.31Å; P162-Y164 VanDerWaalsContact O-CE2 3.29Å; P162-Y164 WeakPolarHBondContact O-CE2 3.4Å; Y164-G168 VanDerWaalsContact CD1-O 3.28Å; Y164-G168 WeakPolarHBondContact CD1-O 3.26Å; Y164-K169 CarbonylContact C-O 3.5Å; Y164-K169 VanDerWaalsContact CA-O 3.31Å; Y164-K169 WeakPolarHBondContact CA-O 3.5Å; Y164-R170 HydrophobicContact CD1-CB 4.12Å; Y164-R170 HydrophobicContact CE1-CB 3.93Å
165N82.6Confident78.3Confident43 Ų4391.8 Ų91.823%0.2349%0.493CS..  trans-84.5175.416472.9-8.9000111.3E167 G168 K169 L171N165-E167 WeakPolarHBondContact ND2-CG 3.34Å; N165-E167 PolarHBondContact ND2-OE2 3.26Å; N165-E167 PolarHBondContact O-N 2.82Å; N165-E167 WeakPolarHBondContact OD1-CA 3.47Å; N165-E167 WeakPolarHBondContact OD1-CB 3.49Å; N165-E167 PolarHBondContact OD1-N 3.05Å; N165-G168 PolarHBondContact O-N 3.4Å; N165-G168 PolarHBondContact OD1-N 2.88Å; N165-K169 PolarHBondContact N-O 3.14Å; N165-K169 WeakPolarHBondContact OD1-CB 3.35Å; N165-K169 PolarHBondContact OD1-N 2.82Å; N165-K169 PolarHBondContact OD1-O 3.47Å; N165-L171 HydrophobicContact CB-CD1 3.89Å; N165-L171 HydrophobicContact CB-CD2 4.08Å; N165-L171 HydrophobicContact CB-CG 3.99Å
166S78.3Confident79Confident133 Ų13392.5 Ų92.593%0.9349%0.489SS*.THydrogen-bonded Turntrans-62.4-6.8173.347.90000114.7
167E81.9Confident79.5Confident122 Ų12291.6 Ų91.657%0.5749%0.485SS*.THydrogen-bonded Turntrans-99.86174.3-43.2172.3139.900112.4N165 K169N165-E167 WeakPolarHBondContact ND2-CG 3.34Å; N165-E167 PolarHBondContact ND2-OE2 3.26Å; N165-E167 PolarHBondContact O-N 2.82Å; N165-E167 WeakPolarHBondContact OD1-CA 3.47Å; N165-E167 WeakPolarHBondContact OD1-CB 3.49Å; N165-E167 PolarHBondContact OD1-N 3.05Å; E167-K169 VanDerWaalsContact C-N 3.31Å; E167-K169 HydrophobicContact CB-CD 4.49Å; E167-K169 HydrophobicContact CB-CG 4.44Å; E167-K169 PolarHBondContact O-N 3.17Å; E167-K169 IonicContact OE1-NZ 3.01Å; E167-K169 WeakPolarHBondContact OE2-CD 3.39Å; E167-K169 VanDerWaalsContact OE2-CE 3.28Å; E167-K169 WeakPolarHBondContact OE2-CE 3.28Å; E167-K169 IonicContact OE2-NZ 2.68Å; E167-K169 PolarHBondContact OE2-NZ 2.96Å
168G81.1Confident80.4Confident55 Ų5588.7 Ų88.757%0.56746%0.463SS*.SBendtrans74.111.5-178.200000115.4Y164 N165Y164-G168 VanDerWaalsContact CD1-O 3.28Å; Y164-G168 WeakPolarHBondContact CD1-O 3.26Å; N165-G168 PolarHBondContact O-N 3.4Å; N165-G168 PolarHBondContact OD1-N 2.88Å
169K82.2Confident81.1Confident122 Ų12286.9 Ų86.953%0.5344%0.441SS..  trans-91.2132.9178.1-59.4173.6-167.4153.30110.7Y164 N165 E167 L171Y164-K169 CarbonylContact C-O 3.5Å; Y164-K169 VanDerWaalsContact CA-O 3.31Å; Y164-K169 WeakPolarHBondContact CA-O 3.5Å; N165-K169 PolarHBondContact N-O 3.14Å; N165-K169 WeakPolarHBondContact OD1-CB 3.35Å; N165-K169 PolarHBondContact OD1-N 2.82Å; N165-K169 PolarHBondContact OD1-O 3.47Å; E167-K169 VanDerWaalsContact C-N 3.31Å; E167-K169 HydrophobicContact CB-CD 4.49Å; E167-K169 HydrophobicContact CB-CG 4.44Å; E167-K169 PolarHBondContact O-N 3.17Å; E167-K169 IonicContact OE1-NZ 3.01Å; E167-K169 WeakPolarHBondContact OE2-CD 3.39Å; E167-K169 VanDerWaalsContact OE2-CE 3.28Å; E167-K169 WeakPolarHBondContact OE2-CE 3.28Å; E167-K169 IonicContact OE2-NZ 2.68Å; E167-K169 PolarHBondContact OE2-NZ 2.96Å; K169-L171 PolarHBondContact O-N 3.46Å; K169-L171 VanDerWaalsContact O-N 3.17Å
170R81.3Confident82.1Confident125 Ų12588.8 Ų88.847%0.47244%0.441SS..BIsolated β-bridgetrans-71.1107.9177.7-173.7-17873.2179.51.1110.8P162 I163 Y164P162-R170 HydrophobicContact CB-CG 4.02Å; I163-R170 CarbonylContact O-C 3.48Å; I163-R170 WeakPolarHBondContact O-CA 3.29Å; Y164-R170 HydrophobicContact CD1-CB 4.12Å; Y164-R170 HydrophobicContact CE1-CB 3.93Å
171L75.6Confident82.6Confident92 Ų9291.9 Ų91.948%0.48245%0.448SS..  trans-72.2-33.4173.9-61172.9000111.9I163 N165 K169 T173 Y176I163-L171 PolarHBondContact O-N 2.83Å; N165-L171 HydrophobicContact CB-CD1 3.89Å; N165-L171 HydrophobicContact CB-CD2 4.08Å; N165-L171 HydrophobicContact CB-CG 3.99Å; K169-L171 PolarHBondContact O-N 3.46Å; K169-L171 VanDerWaalsContact O-N 3.17Å; L171-T173 PolarHBondContact O-N 2.98Å; L171-Y176 WeakPolarHBondContact O-CD1 3.32Å
172N78.7Confident83.2Confident22 Ų2284.5 Ų84.512%0.11841%0.414CS..  trans-86.372.3-172.2-160.4-25.5000112.4I163 R177I163-N172 HydrophobicContact CB-CB 4.02Å; I163-N172 HydrophobicContact CG1-CB 4.26Å; I163-N172 PolarHBondContact O-N 3.45Å; N172-R177 WeakPolarHBondContact OD1-CD 3.43Å; N172-R177 WeakPolarHBondContact OD1-CG 3.35Å; N172-R177 PolarHBondContact OD1-NH1 3.33Å
173T83.9Confident83.7Confident42 Ų4285 Ų8526%0.25841%0.41SS..  trans-84159167.373.30000111.2L171 E175 Y176 R177L171-T173 PolarHBondContact O-N 2.98Å; T173-E175 VanDerWaalsContact C-N 3.27Å; T173-E175 WeakPolarHBondContact CB-OE2 3.41Å; T173-E175 PolarHBondContact O-N 2.84Å; T173-Y176 PolarHBondContact O-N 3.22Å; T173-Y176 VanDerWaalsContact OG1-CB 3.22Å; T173-Y176 WeakPolarHBondContact OG1-CB 3.2Å; T173-Y176 PolarHBondContact OG1-N 3.39Å; T173-R177 WeakPolarHBondContact O-CG 3.45Å; T173-R177 PolarHBondContact O-N 2.92Å
174R84Confident84.1Confident69 Ų6985.6 Ų85.626%0.2641%0.411SS..Hα-helixtrans-65.2-38.6178.8176.6-173-72.9123.4-5.4110.3I149 R177 T178I149-R174 HydrophobicContact CD1-CG 4.24Å; R174-R177 PolarHBondContact O-N 2.86Å; R174-T178 PolarHBondContact O-N 3.38Å; R174-T178 PolarHBondContact O-OG1 2.95Å; R174-T178 VanDerWaalsContact O-OG1 3.07Å
175E83.5Confident84.6Confident92 Ų9283.4 Ų83.443%0.4341%0.405SS..Hα-helixtrans-65.6-42.8-178.6-5863.3-133.700109.8I149 T173 R179I149-E175 HydrophobicContact CD1-CG 4.45Å; T173-E175 VanDerWaalsContact C-N 3.27Å; T173-E175 WeakPolarHBondContact CB-OE2 3.41Å; T173-E175 PolarHBondContact O-N 2.84Å; E175-R179 WeakPolarHBondContact O-CB 3.27Å; E175-R179 PolarHBondContact O-N 3.17Å
176Y84.3Confident85.1Confident125 Ų12582.3 Ų82.349%0.4940%0.398SS..Hα-helixtrans-65-44.6172.1-179.3-102.1000112.1L171 T173 T178 R179 K180L171-Y176 WeakPolarHBondContact O-CD1 3.32Å; T173-Y176 PolarHBondContact O-N 3.22Å; T173-Y176 VanDerWaalsContact OG1-CB 3.22Å; T173-Y176 WeakPolarHBondContact OG1-CB 3.2Å; T173-Y176 PolarHBondContact OG1-N 3.39Å; Y176-T178 PolarHBondContact O-N 2.93Å; Y176-R179 PolarHBondContact O-N 2.88Å; Y176-K180 HydrophobicContact CE1-CD 4.4Å; Y176-K180 VanDerWaalsContact O-CB 3.25Å; Y176-K180 WeakPolarHBondContact O-CB 3.37Å; Y176-K180 PolarHBondContact O-N 2.9Å
177R85.5Confident85.8Confident56 Ų5678.4 Ų78.421%0.21137%0.365CS..Hα-helixtrans-58.3-49.8175.9-74.6-166.7-61.2-9810.8112.4S159 N172 T173 R174 K180 K181S159-R177 PolarHBondContact OG-NH1 3.12Å; S159-R177 PolarHBondContact OG-NH2 3.2Å; N172-R177 WeakPolarHBondContact OD1-CD 3.43Å; N172-R177 WeakPolarHBondContact OD1-CG 3.35Å; N172-R177 PolarHBondContact OD1-NH1 3.33Å; T173-R177 WeakPolarHBondContact O-CG 3.45Å; T173-R177 PolarHBondContact O-N 2.92Å; R174-R177 PolarHBondContact O-N 2.86Å; R177-K180 PolarHBondContact O-N 2.84Å; R177-K181 WeakPolarHBondContact O-CB 3.19Å; R177-K181 PolarHBondContact O-N 2.85Å
178T86.9Confident86.2Confident38 Ų3876.2 Ų76.223%0.23336%0.363CS..Hα-helixtrans-70-38.8-176.4-48.90000111.3L147 I149 R174 Y176 K181 I182L147-T178 HydrophobicContact CB-CG2 3.93Å; L147-T178 WeakPolarHBondContact O-CG2 3.34Å; I149-T178 HydrophobicContact CG1-CG2 4.08Å; R174-T178 PolarHBondContact O-N 3.38Å; R174-T178 PolarHBondContact O-OG1 2.95Å; R174-T178 VanDerWaalsContact O-OG1 3.07Å; Y176-T178 PolarHBondContact O-N 2.93Å; T178-K181 PolarHBondContact O-N 2.69Å; T178-I182 HydrophobicContact CG2-CD1 4.21Å; T178-I182 WeakPolarHBondContact O-CG1 3.21Å; T178-I182 PolarHBondContact O-N 3.31Å
179R88.1Confident86.8Confident84 Ų8474.3 Ų74.332%0.31734%0.34SS..Hα-helixtrans-59.4-51.1171.3178.8174-64.5-79.5-0.4111.6L142 L147 E175 Y176 K181 I182 E183L142-R179 HydrophobicContact CD2-CG 3.87Å; L142-R179 PolarHBondContact O-NH1 2.92Å; L147-R179 HydrophobicContact CD1-CB 4.36Å; L147-R179 HydrophobicContact CD2-CB 4.09Å; E175-R179 WeakPolarHBondContact O-CB 3.27Å; E175-R179 PolarHBondContact O-N 3.17Å; Y176-R179 PolarHBondContact O-N 2.88Å; R179-K181 VanDerWaalsContact C-N 3.31Å; R179-K181 PolarHBondContact O-N 2.82Å; R179-I182 PolarHBondContact O-N 3.28Å; R179-I182 VanDerWaalsContact O-N 3.15Å; R179-E183 WeakPolarHBondContact CG-OE1 3.46Å; R179-E183 WeakPolarHBondContact O-CG 3.43Å; R179-E183 PolarHBondContact O-N 3.37Å
180K88.4Confident87.3Confident102 Ų10268.5 Ų68.544%0.44332%0.315SS..Hα-helixtrans-58-43177.6-176.9-178.1173.1-172.70111.5Y176 R177 I182 E183 E184Y176-K180 HydrophobicContact CE1-CD 4.4Å; Y176-K180 VanDerWaalsContact O-CB 3.25Å; Y176-K180 WeakPolarHBondContact O-CB 3.37Å; Y176-K180 PolarHBondContact O-N 2.9Å; R177-K180 PolarHBondContact O-N 2.84Å; K180-I182 PolarHBondContact O-N 3.44Å; K180-E183 WeakPolarHBondContact O-CB 3.29Å; K180-E183 PolarHBondContact O-N 2.8Å; K180-E184 VanDerWaalsContact O-CB 3.28Å; K180-E184 WeakPolarHBondContact O-CB 3.36Å; K180-E184 PolarHBondContact O-N 2.88Å
181K88.5Confident87.7Confident135 Ų13566 Ų6659%0.58731%0.314SS*.Hα-helixtrans-60-44.6176.6-175.1-178.5174.8-1740111.7R177 T178 R179 E183 E184 E185R177-K181 WeakPolarHBondContact O-CB 3.19Å; R177-K181 PolarHBondContact O-N 2.85Å; T178-K181 PolarHBondContact O-N 2.69Å; R179-K181 VanDerWaalsContact C-N 3.31Å; R179-K181 PolarHBondContact O-N 2.82Å; K181-E183 VanDerWaalsContact C-N 3.33Å; K181-E184 PolarHBondContact O-N 3.31Å; K181-E185 VanDerWaalsContact O-CB 3.29Å; K181-E185 WeakPolarHBondContact O-CB 3.2Å; K181-E185 PolarHBondContact O-N 3.46Å
182I91.1Very high88.5Confident13 Ų1365.1 Ų65.17%0.06731%0.307CS..Hα-helixtrans-67.6-34177.8-66.6170.3000111.1L138 L142 L147 T178 R179 K180 R186L138-I182 HydrophobicContact CB-CG2 4.01Å; L138-I182 HydrophobicContact CD2-CG2 3.85Å; L142-I182 HydrophobicContact CD1-CG2 4.1Å; L142-I182 HydrophobicContact CD2-CB 3.97Å; L142-I182 HydrophobicContact CD2-CG2 3.63Å; L142-I182 HydrophobicContact CG-CB 4.45Å; L142-I182 HydrophobicContact CG-CG2 3.58Å; L147-I182 HydrophobicContact CD2-CD1 3.93Å; T178-I182 HydrophobicContact CG2-CD1 4.21Å; T178-I182 WeakPolarHBondContact O-CG1 3.21Å; T178-I182 PolarHBondContact O-N 3.31Å; R179-I182 PolarHBondContact O-N 3.28Å; R179-I182 VanDerWaalsContact O-N 3.15Å; K180-I182 PolarHBondContact O-N 3.44Å; I182-R186 WeakPolarHBondContact O-CB 3.18Å; I182-R186 PolarHBondContact O-N 3.09Å
183E90.1Very high89.2Confident74 Ų7464.1 Ų64.135%0.34630%0.301SS..Hα-helixtrans-67.2-38.3172.8-74.5163.8-175.500112.8L142 R179 K180 K181 H187L142-E183 HydrophobicContact CD1-CG 3.67Å; L142-E183 HydrophobicContact CD2-CG 3.7Å; L142-E183 HydrophobicContact CG-CG 4.36Å; R179-E183 WeakPolarHBondContact CG-OE1 3.46Å; R179-E183 WeakPolarHBondContact O-CG 3.43Å; R179-E183 PolarHBondContact O-N 3.37Å; K180-E183 WeakPolarHBondContact O-CB 3.29Å; K180-E183 PolarHBondContact O-N 2.8Å; K181-E183 VanDerWaalsContact C-N 3.33Å; E183-H187 WeakPolarHBondContact O-CB 3.4Å; E183-H187 PolarHBondContact O-N 3.27Å
184E89.7Confident89.6Confident117 Ų11765.8 Ų65.855%0.54731%0.308SS..Hα-helixtrans-72.7-42.1177.9-174164.1-152.100111.9K180 K181 H187 S188K180-E184 VanDerWaalsContact O-CB 3.28Å; K180-E184 WeakPolarHBondContact O-CB 3.36Å; K180-E184 PolarHBondContact O-N 2.88Å; K181-E184 PolarHBondContact O-N 3.31Å; E184-H187 WeakPolarHBondContact O-CB 3.19Å; E184-H187 PolarHBondContact O-N 3.34Å; E184-S188 PolarHBondContact O-N 3.34Å
185E92Very high89.9Confident91 Ų9166.6 Ų66.643%0.42533%0.33SS..Hα-helixtrans-61.8-45171.4-166.3176.4155.700110.9L138 K181 H187 S188 L189L138-E185 HydrophobicContact CD1-CB 4.13Å; L138-E185 HydrophobicContact CD1-CG 3.86Å; K181-E185 VanDerWaalsContact O-CB 3.29Å; K181-E185 WeakPolarHBondContact O-CB 3.2Å; K181-E185 PolarHBondContact O-N 3.46Å; E185-H187 VanDerWaalsContact C-N 3.34Å; E185-H187 PolarHBondContact O-N 2.88Å; E185-S188 PolarHBondContact O-N 2.82Å; E185-L189 WeakPolarHBondContact O-CG 3.5Å; E185-L189 PolarHBondContact O-N 2.97Å; E185-L189 VanDerWaalsContact O-N 3.11Å
186R93.1Very high90.2Very high20 Ų2064.7 Ų64.78%0.07532%0.322CS..Hα-helixtrans-61.8-39.4173.1-177.8-177.668.1150.91.3112I135 L138 T139 I182 I190 D205I135-R186 HydrophobicContact CG2-CG 4.49Å; L138-R186 HydrophobicContact CB-CB 4.12Å; L138-R186 HydrophobicContact CD1-CB 4.17Å; T139-R186 VanDerWaalsContact OG1-CD 3.24Å; T139-R186 WeakPolarHBondContact OG1-CD 3.44Å; I182-R186 WeakPolarHBondContact O-CB 3.18Å; I182-R186 PolarHBondContact O-N 3.09Å; R186-I190 HydrophobicContact CG-CD1 3.87Å; R186-I190 WeakPolarHBondContact O-CB 3.46Å; R186-I190 VanDerWaalsContact O-CG1 3.3Å; R186-I190 WeakPolarHBondContact O-CG1 3.05Å; R186-I190 PolarHBondContact O-N 3.25Å; R186-D205 PolarHBondContact NH1-O 3.04Å; R186-D205 PolarHBondContact NH2-O 3.13Å
187H91.1Very high90.4Very high50 Ų5061.1 Ų61.123%0.23131%0.311CS..Hα-helixtrans-63.6-48.1176.1168.942000111.5E183 E184 E185 L189 I190 T191 Y206 P209E183-H187 WeakPolarHBondContact O-CB 3.4Å; E183-H187 PolarHBondContact O-N 3.27Å; E184-H187 WeakPolarHBondContact O-CB 3.19Å; E184-H187 PolarHBondContact O-N 3.34Å; E185-H187 VanDerWaalsContact C-N 3.34Å; E185-H187 PolarHBondContact O-N 2.88Å; H187-L189 VanDerWaalsContact C-N 3.3Å; H187-L189 PolarHBondContact O-N 2.96Å; H187-I190 PolarHBondContact O-N 3.17Å; H187-T191 PolarHBondContact CE1-OG1 2.9Å; H187-T191 PolarHBondContact O-N 2.91Å; H187-T191 PolarHBondContact O-OG1 2.84Å; H187-Y206 HydrophobicContact CB-CE2 4.16Å; H187-Y206 AromaticContact ND1-CE2 3.96Å; H187-Y206 AromaticContact ND1-CZ 3.87Å; H187-Y206 PolarHBondContact ND1-OH 2.86Å; H187-P209 HydrophobicContact CB-CG 4.31Å
188S91.8Very high90.6Very high76 Ų7663.7 Ų63.753%0.53134%0.335SS..Hα-helixtrans-55.4-45.7177.4-169.40000111.7E184 E185 T191 E192E184-S188 PolarHBondContact O-N 3.34Å; E185-S188 PolarHBondContact O-N 2.82Å; S188-T191 PolarHBondContact O-N 3.33Å; S188-E192 PolarHBondContact O-N 3.37Å
189L93.3Very high90.8Very high16 Ų1668.5 Ų68.58%0.08436%0.36CS..Hα-helixtrans-68-38.2178.7-71.7165000112.8V131 Q134 I135 L138 E185 H187 T191 E192 M193V131-L189 HydrophobicContact CB-CD2 4.45Å; V131-L189 HydrophobicContact CG1-CB 4.04Å; V131-L189 HydrophobicContact CG1-CD2 4.01Å; V131-L189 WeakPolarHBondContact CG1-O 3.49Å; V131-L189 HydrophobicContact CG2-CD2 4.11Å; Q134-L189 HydrophobicContact CB-CD1 3.65Å; Q134-L189 HydrophobicContact CB-CD2 4.48Å; Q134-L189 VanDerWaalsContact OE1-CD2 3.26Å; I135-L189 HydrophobicContact CD1-CB 4.27Å; I135-L189 HydrophobicContact CG1-CB 3.71Å; L138-L189 HydrophobicContact CD1-CD1 3.51Å; E185-L189 WeakPolarHBondContact O-CG 3.5Å; E185-L189 PolarHBondContact O-N 2.97Å; E185-L189 VanDerWaalsContact O-N 3.11Å; H187-L189 VanDerWaalsContact C-N 3.3Å; H187-L189 PolarHBondContact O-N 2.96Å; L189-T191 VanDerWaalsContact C-N 3.3Å; L189-T191 PolarHBondContact O-N 2.95Å; L189-E192 PolarHBondContact O-N 2.86Å; L189-M193 VanDerWaalsContact O-CB 3.31Å; L189-M193 WeakPolarHBondContact O-CB 3.45Å; L189-M193 PolarHBondContact O-N 3.4Å
190I92.2Very high90.9Very high0 Ų066.1 Ų66.10%035%0.352CS..Hα-helixtrans-64.2-36.7173.2-73.1168.2000111I135 R186 H187 M193 I194 F200 P202 Y206I135-I190 HydrophobicContact CD1-CB 4.48Å; I135-I190 HydrophobicContact CD1-CG1 3.71Å; I135-I190 HydrophobicContact CG1-CG1 3.91Å; I135-I190 HydrophobicContact CG2-CD1 4.14Å; I135-I190 HydrophobicContact CG2-CG1 3.95Å; R186-I190 HydrophobicContact CG-CD1 3.87Å; R186-I190 WeakPolarHBondContact O-CB 3.46Å; R186-I190 VanDerWaalsContact O-CG1 3.3Å; R186-I190 WeakPolarHBondContact O-CG1 3.05Å; R186-I190 PolarHBondContact O-N 3.25Å; H187-I190 PolarHBondContact O-N 3.17Å; I190-M193 PolarHBondContact O-N 3.02Å; I190-I194 HydrophobicContact CG2-CD1 3.79Å; I190-I194 HydrophobicContact CG2-CG1 4.46Å; I190-I194 WeakPolarHBondContact O-CD1 3.44Å; I190-I194 VanDerWaalsContact O-CG1 3.24Å; I190-I194 WeakPolarHBondContact O-CG1 3.26Å; I190-I194 PolarHBondContact O-N 3.02Å; I190-F200 HydrophobicContact CG2-CE1 4.37Å; I190-P202 HydrophobicContact CG2-CB 4.07Å; I190-P202 HydrophobicContact CG2-CG 3.96Å; I190-Y206 HydrophobicContact CB-CE2 4.36Å; I190-Y206 HydrophobicContact CD1-CD1 4.07Å; I190-Y206 HydrophobicContact CD1-CD2 3.39Å; I190-Y206 HydrophobicContact CD1-CE1 4.39Å; I190-Y206 HydrophobicContact CD1-CE2 3.79Å; I190-Y206 HydrophobicContact CD1-CG 3.52Å; I190-Y206 HydrophobicContact CG2-CD1 4.15Å; I190-Y206 HydrophobicContact CG2-CE1 3.63Å; I190-Y206 HydrophobicContact CG2-CE2 4.26Å
191T90.3Very high90.9Very high73 Ų7370 Ų7045%0.44837%0.369SS..Hα-helixtrans-68.4-42.1175-670000112.3H187 S188 L189 A195H187-T191 PolarHBondContact CE1-OG1 2.9Å; H187-T191 PolarHBondContact O-N 2.91Å; H187-T191 PolarHBondContact O-OG1 2.84Å; S188-T191 PolarHBondContact O-N 3.33Å; L189-T191 VanDerWaalsContact C-N 3.3Å; L189-T191 PolarHBondContact O-N 2.95Å; T191-A195 PolarHBondContact O-N 3.04Å
192E92.4Very high91Very high72 Ų7266 Ų6634%0.33636%0.356SS..Hα-helixtrans-61.2-44.9171.9-176.8173.3178.300111.2R127 V131 S188 L189 I194 A195 L196R127-E192 IonicContact NH1-OE1 3.55Å; V131-E192 HydrophobicContact CG2-CG 4.41Å; S188-E192 PolarHBondContact O-N 3.37Å; L189-E192 PolarHBondContact O-N 2.86Å; E192-I194 PolarHBondContact O-N 2.75Å; E192-A195 PolarHBondContact O-N 2.81Å; E192-L196 HydrophobicContact CG-CD1 3.93Å; E192-L196 HydrophobicContact CG-CG 4.41Å; E192-L196 WeakPolarHBondContact O-CG 3.41Å; E192-L196 PolarHBondContact O-N 3.16Å
193M93.2Very high90.7Very high2 Ų267.2 Ų67.21%0.0137%0.365CS..Hα-helixtrans-58.8-47.1177.5173.160.587.100112.8A128 V131 Q132 I135 L189 I190 A195 L196 N197 F200A128-M193 HydrophobicContact CB-CE 4.18Å; A128-M193 HydrophobicContact CB-SD 3.97Å; A128-M193 WeakPolarHBondContact O-CE 3.44Å; V131-M193 HydrophobicContact CG1-CB 3.84Å; V131-M193 HydrophobicContact CG1-CE 4.5Å; Q132-M193 HydrophobicContact CB-CE 3.55Å; Q132-M193 HydrophobicContact CG-CE 4.05Å; I135-M193 HydrophobicContact CD1-CB 4Å; I135-M193 HydrophobicContact CD1-CG 4.42Å; L189-M193 VanDerWaalsContact O-CB 3.31Å; L189-M193 WeakPolarHBondContact O-CB 3.45Å; L189-M193 PolarHBondContact O-N 3.4Å; I190-M193 PolarHBondContact O-N 3.02Å; M193-A195 PolarHBondContact O-N 3.39Å; M193-L196 PolarHBondContact O-N 2.85Å; M193-L196 VanDerWaalsContact O-N 3.15Å; M193-N197 PolarHBondContact O-N 3.1Å; M193-N197 HydrophobicContact SD-CB 4.18Å; M193-F200 HydrophobicContact CB-CD1 4.21Å; M193-F200 HydrophobicContact CB-CE1 4.29Å; M193-F200 HydrophobicContact CB-CG 4.48Å; M193-F200 HydrophobicContact CE-CD2 4.02Å; M193-F200 HydrophobicContact CE-CE2 4.07Å; M193-F200 HydrophobicContact CG-CB 3.75Å; M193-F200 HydrophobicContact CG-CD1 3.27Å; M193-F200 HydrophobicContact CG-CD2 3.43Å; M193-F200 VanDerWaalsContact CG-CD2 3.43Å; M193-F200 HydrophobicContact CG-CE1 3.58Å; M193-F200 HydrophobicContact CG-CE2 3.76Å; M193-F200 HydrophobicContact CG-CG 3.17Å; M193-F200 HydrophobicContact CG-CZ 3.82Å; M193-F200 HydrophobicContact SD-CB 4.1Å; M193-F200 HydrophobicContact SD-CD2 3.79Å; M193-F200 HydrophobicContact SD-CE2 4.34Å; M193-F200 HydrophobicContact SD-CG 3.9Å
194I91.6Very high90.4Very high76 Ų7668.6 Ų68.639%0.3939%0.389SS..Hα-helixtrans-62.8-32.5179.2-68.7163.2000111.2I190 E192 N197 F200 P202I190-I194 HydrophobicContact CG2-CD1 3.79Å; I190-I194 HydrophobicContact CG2-CG1 4.46Å; I190-I194 WeakPolarHBondContact O-CD1 3.44Å; I190-I194 VanDerWaalsContact O-CG1 3.24Å; I190-I194 WeakPolarHBondContact O-CG1 3.26Å; I190-I194 PolarHBondContact O-N 3.02Å; E192-I194 PolarHBondContact O-N 2.75Å; I194-N197 CarbonylContact O-C 3.54Å; I194-F200 HydrophobicContact CG1-CD1 4.05Å; I194-P202 HydrophobicContact CD1-CG 4.03Å
195A90.3Very high90.1Very high87 Ų8767.8 Ų67.872%0.71939%0.388SS*.Hα-helixtrans-74.3-31.9175.600000113.3T191 E192 M193T191-A195 PolarHBondContact O-N 3.04Å; E192-A195 PolarHBondContact O-N 2.81Å; M193-A195 PolarHBondContact O-N 3.39Å
196L90.9Very high89.8Confident51 Ų5164.8 Ų64.827%0.26737%0.374SS..Hα-helixtrans-81.5-29.4175.7-66.8172.2000113.2D124 R127 A128 E192 M193D124-L196 HydrophobicContact CB-CD2 4.12Å; R127-L196 HydrophobicContact CB-CD1 3.69Å; A128-L196 HydrophobicContact CB-CB 4.39Å; A128-L196 HydrophobicContact CB-CD1 4.48Å; E192-L196 HydrophobicContact CG-CD1 3.93Å; E192-L196 HydrophobicContact CG-CG 4.41Å; E192-L196 WeakPolarHBondContact O-CG 3.41Å; E192-L196 PolarHBondContact O-N 3.16Å; M193-L196 PolarHBondContact O-N 2.85Å; M193-L196 VanDerWaalsContact O-N 3.15Å
197N88.6Confident89.2Confident50 Ų5072.3 Ų72.327%0.26741%0.407SS..  trans-145.7103.1-177.5-179.37.6000111.2M193 I194 D199 F200M193-N197 PolarHBondContact O-N 3.1Å; M193-N197 HydrophobicContact SD-CB 4.18Å; I194-N197 CarbonylContact O-C 3.54Å; N197-D199 VanDerWaalsContact C-N 3.26Å; N197-D199 PolarHBondContact O-N 2.89Å; N197-D199 PolarHBondContact OD1-N 3.23Å; N197-D199 VanDerWaalsContact OD1-N 3.11Å; N197-F200 HydrophobicContact CB-CB 4.33Å; N197-F200 VanDerWaalsContact O-CB 3.26Å; N197-F200 WeakPolarHBondContact O-CB 3.5Å; N197-F200 PolarHBondContact O-N 3.06Å; N197-F200 VanDerWaalsContact O-N 3.15Å
198P89.8Confident88.6Confident111 Ų11174 Ų7472%0.72142%0.423SS*.THydrogen-bonded Turntrans-70.2-18.4-179.229.6-35.6000113.9F200P198-F200 VanDerWaalsContact C-N 3.27Å
199D90.8Very high87.7Confident139 Ų13973.4 Ų73.474%0.74342%0.417SS*.THydrogen-bonded Turntrans-81.1-5.1174.6-69.8-53.9000112.9N197 K201N197-D199 VanDerWaalsContact C-N 3.26Å; N197-D199 PolarHBondContact O-N 2.89Å; N197-D199 PolarHBondContact OD1-N 3.23Å; N197-D199 VanDerWaalsContact OD1-N 3.11Å; D199-K201 PolarHBondContact O-N 3.04Å
200F90.4Very high86.4Confident34 Ų3477.2 Ų77.215%0.14945%0.451CS..  trans-64.1131.1178.6176.5-103.3000112Q132 I135 I190 M193 I194 N197 P198 P202Q132-F200 HydrophobicContact CG-CE2 4.46Å; I135-F200 HydrophobicContact CD1-CZ 4.13Å; I190-F200 HydrophobicContact CG2-CE1 4.37Å; M193-F200 HydrophobicContact CB-CD1 4.21Å; M193-F200 HydrophobicContact CB-CE1 4.29Å; M193-F200 HydrophobicContact CB-CG 4.48Å; M193-F200 HydrophobicContact CE-CD2 4.02Å; M193-F200 HydrophobicContact CE-CE2 4.07Å; M193-F200 HydrophobicContact CG-CB 3.75Å; M193-F200 HydrophobicContact CG-CD1 3.27Å; M193-F200 HydrophobicContact CG-CD2 3.43Å; M193-F200 VanDerWaalsContact CG-CD2 3.43Å; M193-F200 HydrophobicContact CG-CE1 3.58Å; M193-F200 HydrophobicContact CG-CE2 3.76Å; M193-F200 HydrophobicContact CG-CG 3.17Å; M193-F200 HydrophobicContact CG-CZ 3.82Å; M193-F200 HydrophobicContact SD-CB 4.1Å; M193-F200 HydrophobicContact SD-CD2 3.79Å; M193-F200 HydrophobicContact SD-CE2 4.34Å; M193-F200 HydrophobicContact SD-CG 3.9Å; I194-F200 HydrophobicContact CG1-CD1 4.05Å; N197-F200 HydrophobicContact CB-CB 4.33Å; N197-F200 VanDerWaalsContact O-CB 3.26Å; N197-F200 WeakPolarHBondContact O-CB 3.5Å; N197-F200 PolarHBondContact O-N 3.06Å; N197-F200 VanDerWaalsContact O-N 3.15Å; P198-F200 VanDerWaalsContact C-N 3.27Å; F200-P202 HydrophobicContact CD1-CG 4.19Å; F200-P202 HydrophobicContact CE1-CB 4.2Å; F200-P202 HydrophobicContact CE1-CG 4Å; F200-P202 WeakPolarHBondContact O-CD 3.24Å
201K88.6Confident85.4Confident183 Ų18381.5 Ų81.580%0.79648%0.477SS*.  trans-105112175.9-61.6-173.3-177.5-179.50109.4D199D199-K201 PolarHBondContact O-N 3.04Å
202P89Confident84.9Confident51 Ų5187 Ų8733%0.33149%0.489SS..  trans-57.7152.3177.5-27.136.1000113I190 I194 F200 Y206I190-P202 HydrophobicContact CG2-CB 4.07Å; I190-P202 HydrophobicContact CG2-CG 3.96Å; I194-P202 HydrophobicContact CD1-CG 4.03Å; F200-P202 HydrophobicContact CD1-CG 4.19Å; F200-P202 HydrophobicContact CE1-CB 4.2Å; F200-P202 HydrophobicContact CE1-CG 4Å; F200-P202 WeakPolarHBondContact O-CD 3.24Å; P202-Y206 HydrophobicContact CB-CD1 3.54Å; P202-Y206 HydrophobicContact CB-CE1 4.13Å; P202-Y206 HydrophobicContact CB-CG 4.3Å; P202-Y206 HydrophobicContact CG-CD1 4.27Å; P202-Y206 HydrophobicContact CG-CE1 4.41Å
203P86Confident84.7Confident38 Ų3885.4 Ų85.425%0.24748%0.484CS..  trans-55.8145.4177.6-25.234.2000112.5I135 D205 Y206I135-P203 HydrophobicContact CG2-CG 3.89Å; P203-D205 PolarHBondContact O-N 3.32Å; P203-D205 VanDerWaalsContact O-N 3.11Å; P203-Y206 VanDerWaalsContact O-CB 3.26Å; P203-Y206 WeakPolarHBondContact O-CB 3.09Å; P203-Y206 PolarHBondContact O-N 3.49Å
204A83.3Confident84.5Confident103 Ų10388.8 Ų88.885%0.85151%0.508SS*.THydrogen-bonded Turntrans-58.8-28.4-178.300000114Y206A204-Y206 VanDerWaalsContact C-N 3.26Å; A204-Y206 PolarHBondContact O-N 3.08Å
205D83Confident84.7Confident100 Ų10087.7 Ų87.754%0.53550%0.503SS..THydrogen-bonded Turntrans-80.31.1175.1-55-54.8000113.8R186 P203R186-D205 PolarHBondContact NH1-O 3.04Å; R186-D205 PolarHBondContact NH2-O 3.13Å; P203-D205 PolarHBondContact O-N 3.32Å; P203-D205 VanDerWaalsContact O-N 3.11Å
206Y85.7Confident84.8Confident29 Ų2986.8 Ų86.811%0.11448%0.483CS..  trans-91.5115.2174.8171.7-105.1000110.3H187 I190 P202 P203 A204 P208H187-Y206 HydrophobicContact CB-CE2 4.16Å; H187-Y206 AromaticContact ND1-CE2 3.96Å; H187-Y206 AromaticContact ND1-CZ 3.87Å; H187-Y206 PolarHBondContact ND1-OH 2.86Å; I190-Y206 HydrophobicContact CB-CE2 4.36Å; I190-Y206 HydrophobicContact CD1-CD1 4.07Å; I190-Y206 HydrophobicContact CD1-CD2 3.39Å; I190-Y206 HydrophobicContact CD1-CE1 4.39Å; I190-Y206 HydrophobicContact CD1-CE2 3.79Å; I190-Y206 HydrophobicContact CD1-CG 3.52Å; I190-Y206 HydrophobicContact CG2-CD1 4.15Å; I190-Y206 HydrophobicContact CG2-CE1 3.63Å; I190-Y206 HydrophobicContact CG2-CE2 4.26Å; P202-Y206 HydrophobicContact CB-CD1 3.54Å; P202-Y206 HydrophobicContact CB-CE1 4.13Å; P202-Y206 HydrophobicContact CB-CG 4.3Å; P202-Y206 HydrophobicContact CG-CD1 4.27Å; P202-Y206 HydrophobicContact CG-CE1 4.41Å; P203-Y206 VanDerWaalsContact O-CB 3.26Å; P203-Y206 WeakPolarHBondContact O-CB 3.09Å; P203-Y206 PolarHBondContact O-N 3.49Å; A204-Y206 VanDerWaalsContact C-N 3.26Å; A204-Y206 PolarHBondContact O-N 3.08Å; Y206-P208 HydrophobicContact CE1-CB 3.93Å; Y206-P208 HydrophobicContact CE1-CG 4.42Å
207K81.1Confident85Confident177 Ų17784.7 Ų84.777%0.7747%0.472SS*.  trans-104.7118.8163.8-63.5178.8-173.1179.60106.4
208P78.5Confident85.3Confident87 Ų8787.3 Ų87.357%0.56548%0.484SS*.  trans-58.7135.4176.424.3-32.8000109.1Y206 A210Y206-P208 HydrophobicContact CE1-CB 3.93Å; Y206-P208 HydrophobicContact CE1-CG 4.42Å; P208-A210 PolarHBondContact O-N 3.19Å
209P72.4Confident85.4Confident63 Ų6382.3 Ų82.341%0.40945%0.451SS..  trans-54.2124.9175.7-29.538.6000110.9H187 T211H187-P209 HydrophobicContact CB-CG 4.31Å; P209-T211 WeakPolarHBondContact CB-OG1 3.35Å; P209-T211 PolarHBondContact O-N 3Å; P209-T211 PolarHBondContact O-OG1 3.44Å
210A65.8Low85.4Confident96 Ų9677 Ų7779%0.79343%0.425SS*.  trans-77.358.4175.800000110.2P208 R212P208-A210 PolarHBondContact O-N 3.19Å; A210-R212 VanDerWaalsContact C-N 3.25Å; A210-R212 PolarHBondContact O-N 2.88Å
211T71.4Confident85.4Confident89 Ų8977.3 Ų77.355%0.54643%0.426SS..  trans-70.380.7-176.4-43.50000109.4P209 V213P209-T211 WeakPolarHBondContact CB-OG1 3.35Å; P209-T211 PolarHBondContact O-N 3Å; P209-T211 PolarHBondContact O-OG1 3.44Å; T211-V213 PolarHBondContact O-N 2.89Å
212R80.1Confident85.3Confident188 Ų18875.1 Ų75.171%0.70942%0.423SS*.  trans-6895.7176.7-81.5-173.3166.3171.5-0.9109.7A210 T285 A286A210-R212 VanDerWaalsContact C-N 3.25Å; A210-R212 PolarHBondContact O-N 2.88Å; R212-T285 HydrophobicContact CB-CG2 3.85Å; R212-T285 HydrophobicContact CG-CG2 4.19Å; R212-A286 WeakPolarHBondContact CA-O 3.2Å
213V87.5Confident85.4Confident39 Ų3979.3 Ų79.324%0.23644%0.438CS..EExtended strand (participates in β ladder)trans-69.6133.6171-175.20000107.8T211 T285 A286 M289 V292T211-V213 PolarHBondContact O-N 2.89Å; V213-T285 CarbonylContact O-C 3.59Å; V213-T285 VanDerWaalsContact O-CA 3.31Å; V213-T285 WeakPolarHBondContact O-CA 3.42Å; V213-A286 PolarHBondContact N-O 3.4Å; V213-A286 PolarHBondContact O-N 3.05Å; V213-M289 HydrophobicContact CG1-CE 4.13Å; V213-M289 HydrophobicContact CG1-SD 3.66Å; V213-V292 HydrophobicContact CB-CG2 4.02Å; V213-V292 HydrophobicContact CG1-CG2 4.01Å; V213-V292 WeakPolarHBondContact O-CG2 3.4Å
214S90.4Very high85.5Confident73 Ų7381.3 Ų81.351%0.5144%0.442SS..EExtended strand (participates in β ladder)trans-133.3142.2174.262.40000112.3V284S214-V284 CarbonylContact C-O 3.58Å; S214-V284 WeakPolarHBondContact CA-O 3.31Å; S214-V284 VanDerWaalsContact CB-O 3.24Å; S214-V284 WeakPolarHBondContact CB-O 3.47Å
215D94.3Very high85.7Confident54 Ų5480.9 Ų80.929%0.28943%0.43SS..EExtended strand (participates in β ladder)trans-133.5153.3178.8-169.69.3000109.6V284 V292 V296D215-V284 PolarHBondContact N-O 2.95Å; D215-V284 PolarHBondContact O-N 3.29Å; D215-V292 HydrophobicContact CB-CG1 3.37Å; D215-V296 HydrophobicContact CB-CG2 4.08Å
216K94.1Very high85.9Confident68 Ų6882.4 Ų82.430%0.29643%0.434SS..EExtended strand (participates in β ladder)trans-114.5117.4-175.3177.9176.9-71.7-145.30109.9M218 E278 H281K216-M218 HydrophobicContact CD-SD 4.06Å; K216-M218 HydrophobicContact CG-SD 4.33Å; K216-E278 IonicContact NZ-OE1 2.92Å; K216-E278 PolarHBondContact NZ-OE1 3.06Å; K216-E278 IonicContact NZ-OE2 2.73Å; K216-E278 PolarHBondContact NZ-OE2 2.94Å; K216-H281 HydrophobicContact CD-CB 4.11Å; K216-H281 WeakPolarHBondContact CE-CD2 3.27Å; K216-H281 WeakPolarHBondContact CE-NE2 3.31Å; K216-H281 HydrophobicContact CG-CB 3.85Å; K216-H281 PolarHBondContact NZ-CE1 3.37Å; K216-H281 PolarHBondContact NZ-NE2 3.04Å; K216-H281 VanDerWaalsContact NZ-NE2 3.15Å
217V95.1Very high86Confident6 Ų682 Ų824%0.03643%0.434CS..EExtended strand (participates in β ladder)trans-97.6113.5172.2-164.60000109.1H281 A282 V284 V296 I299 R300 L303V217-H281 CarbonylContact O-C 3.58Å; V217-H281 WeakPolarHBondContact O-CA 3.41Å; V217-H281 WeakPolarHBondContact O-CB 3.45Å; V217-A282 HydrophobicContact CB-CB 4.41Å; V217-A282 PolarHBondContact N-O 3.01Å; V217-A282 PolarHBondContact O-N 3.24Å; V217-V284 HydrophobicContact CG2-CG2 4.28Å; V217-V296 HydrophobicContact CG2-CB 4.09Å; V217-V296 HydrophobicContact CG2-CG1 3.84Å; V217-V296 HydrophobicContact CG2-CG2 3.71Å; V217-I299 HydrophobicContact CB-CG2 4.2Å; V217-I299 HydrophobicContact CG1-CG2 3.9Å; V217-I299 HydrophobicContact CG2-CD1 4.48Å; V217-I299 HydrophobicContact CG2-CG2 4.38Å; V217-R300 HydrophobicContact CG1-CG 4.01Å; V217-L303 HydrophobicContact CG1-CD1 4.04Å
218M93.5Very high86.4Confident105 Ų10578.3 Ų78.352%0.51742%0.423SS..EExtended strand (participates in β ladder)trans-67.1143.5172.4-57.9-62.6-65.600110.3K216 P279 H281K216-M218 HydrophobicContact CD-SD 4.06Å; K216-M218 HydrophobicContact CG-SD 4.33Å; M218-P279 HydrophobicContact CE-CB 4.04Å; M218-P279 HydrophobicContact CE-CG 3.47Å; M218-P279 VanDerWaalsContact CE-CG 3.47Å; M218-H281 HydrophobicContact SD-CB 4.34Å
219I93.2Very high87Confident7 Ų774.2 Ų74.24%0.03640%0.396CS..  trans-119.1117.9177.7-61.4173000107.4Q221 F229 L233 I254 L280 A282 L303I219-Q221 PolarHBondContact O-N 3.4Å; I219-F229 HydrophobicContact CG2-CB 3.56Å; I219-F229 HydrophobicContact CG2-CD2 3.73Å; I219-F229 HydrophobicContact CG2-CG 3.76Å; I219-L233 HydrophobicContact CD1-CD1 3.79Å; I219-I254 HydrophobicContact CD1-CG2 4.37Å; I219-L280 HydrophobicContact CB-CB 4.3Å; I219-L280 HydrophobicContact CB-CD2 3.99Å; I219-L280 HydrophobicContact CB-CG 3.95Å; I219-L280 HydrophobicContact CD1-CD2 4.39Å; I219-L280 HydrophobicContact CD1-CG 4.12Å; I219-L280 HydrophobicContact CG2-CD2 3.63Å; I219-L280 HydrophobicContact CG2-CG 4.17Å; I219-L280 PolarHBondContact N-O 3.29Å; I219-A282 HydrophobicContact CD1-CB 4.39Å; I219-L303 HydrophobicContact CB-CD2 4.41Å; I219-L303 HydrophobicContact CG1-CD1 4.22Å; I219-L303 HydrophobicContact CG1-CD2 4.16Å; I219-L303 HydrophobicContact CG2-CD2 3.83Å
220P90.9Very high87.9Confident28 Ų2872.2 Ų72.218%0.18238%0.382CS..  trans-80.259.2-170.534.3-37.1000112.3D222 E223 Y224 F229 I307P220-D222 VanDerWaalsContact C-N 3.29Å; P220-D222 PolarHBondContact O-N 3.49Å; P220-E223 HydrophobicContact CB-CB 4.18Å; P220-E223 HydrophobicContact CB-CG 4.26Å; P220-E223 PolarHBondContact O-N 3.5Å; P220-Y224 HydrophobicContact CB-CD2 4.37Å; P220-Y224 HydrophobicContact CG-CD2 4.33Å; P220-Y224 PolarHBondContact O-N 2.95Å; P220-F229 HydrophobicContact CG-CE2 4.43Å; P220-F229 HydrophobicContact CG-CZ 4.32Å; P220-I307 HydrophobicContact CG-CD1 3.8Å
221Q89.6Confident89.2Confident39 Ų3969.1 Ų69.118%0.18236%0.36CS..THydrogen-bonded Turntrans-69.5-28.3-180-164.167.379.300112.6I219 E223 Y224 P225 I227 L280I219-Q221 PolarHBondContact O-N 3.4Å; Q221-E223 VanDerWaalsContact C-N 3.34Å; Q221-Y224 PolarHBondContact NE2-O 3.32Å; Q221-Y224 CarbonylContact O-C 3.51Å; Q221-P225 WeakPolarHBondContact O-CA 3.46Å; Q221-I227 PolarHBondContact NE2-O 3.29Å; Q221-L280 HydrophobicContact CB-CB 4.32Å; Q221-L280 HydrophobicContact CB-CD2 3.81Å; Q221-L280 HydrophobicContact CG-CD2 4.02Å
222D87.6Confident90.2Very high138 Ų13865.4 Ų65.474%0.73834%0.337SS*.THydrogen-bonded Turntrans-76-23.8178.1-54.4-46.7000112.3P220P220-D222 VanDerWaalsContact C-N 3.29Å; P220-D222 PolarHBondContact O-N 3.49Å
223E90.7Very high90.8Very high138 Ų13856.7 Ų56.765%0.64530%0.304SS*.THydrogen-bonded Turntrans-86.6-34.8176.7-64.2165.7-139.700111.9P220 Q221P220-E223 HydrophobicContact CB-CB 4.18Å; P220-E223 HydrophobicContact CB-CG 4.26Å; P220-E223 PolarHBondContact O-N 3.5Å; Q221-E223 VanDerWaalsContact C-N 3.34Å
224Y88.2Confident91.1Very high80 Ų8057.7 Ų57.731%0.31431%0.308SS..  trans-130.468.8-176-58.2-83.1000111.4P220 Q221 E226 I227 F229 I307P220-Y224 HydrophobicContact CB-CD2 4.37Å; P220-Y224 HydrophobicContact CG-CD2 4.33Å; P220-Y224 PolarHBondContact O-N 2.95Å; Q221-Y224 PolarHBondContact NE2-O 3.32Å; Q221-Y224 CarbonylContact O-C 3.51Å; Y224-E226 PolarHBondContact O-N 2.95Å; Y224-I227 HydrophobicContact CD1-CD1 4.09Å; Y224-I227 HydrophobicContact CG-CD1 4.07Å; Y224-I227 PolarHBondContact O-N 3.06Å; Y224-I227 VanDerWaalsContact O-N 3.15Å; Y224-F229 HydrophobicContact CD2-CZ 4.49Å; Y224-I307 HydrophobicContact CD1-CG2 4.37Å; Y224-I307 HydrophobicContact CD2-CD1 4.14Å; Y224-I307 HydrophobicContact CD2-CG1 4.07Å; Y224-I307 HydrophobicContact CD2-CG2 4.43Å; Y224-I307 HydrophobicContact CE1-CG2 3.8Å; Y224-I307 HydrophobicContact CE2-CD1 4.03Å; Y224-I307 HydrophobicContact CE2-CG1 4.18Å; Y224-I307 HydrophobicContact CE2-CG2 3.88Å; Y224-I307 HydrophobicContact CG-CG1 4.43Å
225P87.4Confident91.2Very high95 Ų9554.9 Ų54.962%0.61729%0.29SS*.THydrogen-bonded Turntrans-65-24.1-174.426.8-35.8000114Q221 I227Q221-P225 WeakPolarHBondContact O-CA 3.46Å; P225-I227 VanDerWaalsContact C-N 3.28Å; P225-I227 PolarHBondContact O-N 2.93Å
226E86.3Confident91.2Very high131 Ų13152.8 Ų52.861%0.61228%0.279SS*.THydrogen-bonded Turntrans-71.6-18.3175.770.1-67.9159.200113.8Y224Y224-E226 PolarHBondContact O-N 2.95Å
227I87.8Confident91.1Very high20 Ų2056.8 Ų56.810%0.10329%0.293CS..SBendtrans-95.4114.9-174.6-50.6-179.1000110.6Q221 Y224 P225 F229 G306 I307Q221-I227 PolarHBondContact NE2-O 3.29Å; Y224-I227 HydrophobicContact CD1-CD1 4.09Å; Y224-I227 HydrophobicContact CG-CD1 4.07Å; Y224-I227 PolarHBondContact O-N 3.06Å; Y224-I227 VanDerWaalsContact O-N 3.15Å; P225-I227 VanDerWaalsContact C-N 3.28Å; P225-I227 PolarHBondContact O-N 2.93Å; I227-F229 VanDerWaalsContact C-N 3.29Å; I227-F229 HydrophobicContact CB-CD2 4.37Å; I227-F229 HydrophobicContact CB-CE1 4.09Å; I227-F229 HydrophobicContact CB-CE2 3.9Å; I227-F229 HydrophobicContact CB-CZ 3.75Å; I227-F229 HydrophobicContact CD1-CE1 4.45Å; I227-F229 HydrophobicContact CD1-CZ 4.03Å; I227-F229 HydrophobicContact CG1-CZ 4.44Å; I227-F229 HydrophobicContact CG2-CD1 3.76Å; I227-F229 HydrophobicContact CG2-CD2 4.39Å; I227-F229 HydrophobicContact CG2-CE1 3.5Å; I227-F229 HydrophobicContact CG2-CE2 4.17Å; I227-F229 HydrophobicContact CG2-CG 4.21Å; I227-F229 HydrophobicContact CG2-CZ 3.72Å; I227-F229 WeakPolarHBondContact O-CD2 3.24Å; I227-F229 PolarHBondContact O-N 2.87Å; I227-G306 WeakPolarHBondContact CD1-O 3.34Å; I227-I307 HydrophobicContact CD1-CG1 4.43Å
228N89.6Confident91Very high101 Ų10157 Ų5754%0.5430%0.296SS..  trans-79.772.1177.5-170.1-11.3000112.1V230 G231 L232N228-V230 VanDerWaalsContact C-N 3.26Å; N228-V230 PolarHBondContact O-N 2.8Å; N228-G231 PolarHBondContact O-N 2.91Å; N228-G231 VanDerWaalsContact O-N 3.14Å; N228-G231 PolarHBondContact OD1-N 3.45Å; N228-L232 PolarHBondContact O-N 3.27Å
229F91.4Very high91Very high1 Ų155.2 Ų55.20%0.00429%0.289CS..Hα-helixtrans-57.5-36.8179.4-63.4-66.5000113I219 P220 Y224 I227 L232 L233 L303 I307I219-F229 HydrophobicContact CG2-CB 3.56Å; I219-F229 HydrophobicContact CG2-CD2 3.73Å; I219-F229 HydrophobicContact CG2-CG 3.76Å; P220-F229 HydrophobicContact CG-CE2 4.43Å; P220-F229 HydrophobicContact CG-CZ 4.32Å; Y224-F229 HydrophobicContact CD2-CZ 4.49Å; I227-F229 VanDerWaalsContact C-N 3.29Å; I227-F229 HydrophobicContact CB-CD2 4.37Å; I227-F229 HydrophobicContact CB-CE1 4.09Å; I227-F229 HydrophobicContact CB-CE2 3.9Å; I227-F229 HydrophobicContact CB-CZ 3.75Å; I227-F229 HydrophobicContact CD1-CE1 4.45Å; I227-F229 HydrophobicContact CD1-CZ 4.03Å; I227-F229 HydrophobicContact CG1-CZ 4.44Å; I227-F229 HydrophobicContact CG2-CD1 3.76Å; I227-F229 HydrophobicContact CG2-CD2 4.39Å; I227-F229 HydrophobicContact CG2-CE1 3.5Å; I227-F229 HydrophobicContact CG2-CE2 4.17Å; I227-F229 HydrophobicContact CG2-CG 4.21Å; I227-F229 HydrophobicContact CG2-CZ 3.72Å; I227-F229 WeakPolarHBondContact O-CD2 3.24Å; I227-F229 PolarHBondContact O-N 2.87Å; F229-L232 PolarHBondContact O-N 3.09Å; F229-L233 WeakPolarHBondContact O-CB 3.35Å; F229-L233 WeakPolarHBondContact O-CG 3.43Å; F229-L233 PolarHBondContact O-N 2.81Å; F229-L303 HydrophobicContact CB-CD2 4.07Å; F229-L303 HydrophobicContact CD1-CD2 3.57Å; F229-L303 HydrophobicContact CE1-CD2 4.19Å; F229-L303 HydrophobicContact CG-CD2 3.94Å; F229-I307 HydrophobicContact CE1-CD1 4.36Å; F229-I307 HydrophobicContact CE1-CG1 3.81Å; F229-I307 HydrophobicContact CZ-CD1 4.2Å; F229-I307 HydrophobicContact CZ-CG1 3.71Å
230V92.1Very high91Very high20 Ų2056.2 Ų56.212%0.12130%0.295CS..Hα-helixtrans-63.6-43.5177.6-177.40000110.5N228 I234 I254 L280N228-V230 VanDerWaalsContact C-N 3.26Å; N228-V230 PolarHBondContact O-N 2.8Å; V230-I234 HydrophobicContact CG1-CD1 3.65Å; V230-I234 HydrophobicContact CG1-CG1 4.41Å; V230-I234 VanDerWaalsContact O-CB 3.31Å; V230-I234 WeakPolarHBondContact O-CB 3.18Å; V230-I234 WeakPolarHBondContact O-CG1 3.49Å; V230-I234 PolarHBondContact O-N 2.84Å; V230-I254 HydrophobicContact CG1-CD1 4.2Å; V230-L280 HydrophobicContact CG2-CD1 4.09Å; V230-L280 HydrophobicContact CG2-CD2 3.75Å
231G91.8Very high91.2Very high31 Ų3156.3 Ų56.332%0.3229%0.294SS..Hα-helixtrans-60.5-46.8173.800000112.5N228 G235N228-G231 PolarHBondContact O-N 2.91Å; N228-G231 VanDerWaalsContact O-N 3.14Å; N228-G231 PolarHBondContact OD1-N 3.45Å; G231-G235 PolarHBondContact O-N 3.18Å
232L92.1Very high91.5Very high12 Ų1260 Ų606%0.06331%0.309CS..Hα-helixtrans-67.2-37.4-178.7-17265.5000113.1N228 F229 I302 L316 R317 Q320N228-L232 PolarHBondContact O-N 3.27Å; F229-L232 PolarHBondContact O-N 3.09Å; L232-I302 HydrophobicContact CD2-CG2 3.88Å; L232-I302 HydrophobicContact CG-CG2 3.8Å; L232-L316 HydrophobicContact CD1-CD2 4.23Å; L232-L316 HydrophobicContact CD1-CG 4.15Å; L232-R317 HydrophobicContact CD1-CB 3.91Å; L232-R317 HydrophobicContact CD1-CG 4.47Å; L232-Q320 PolarHBondContact O-NE2 3.11Å; L232-Q320 PolarHBondContact O-OE1 3.44Å
233L93.7Very high91.9Very high4 Ų456.8 Ų56.82%0.02129%0.292CS..Hα-helixtrans-75.5-36.3177.4-74168.1000112.7I219 F229 L241 I254 I299 I302 L303I219-L233 HydrophobicContact CD1-CD1 3.79Å; F229-L233 WeakPolarHBondContact O-CB 3.35Å; F229-L233 WeakPolarHBondContact O-CG 3.43Å; F229-L233 PolarHBondContact O-N 2.81Å; L233-L241 PolarHBondContact O-N 2.96Å; L233-I254 HydrophobicContact CB-CD1 4.36Å; L233-I299 HydrophobicContact CD1-CG2 4.38Å; L233-I299 HydrophobicContact CD2-CB 4.47Å; L233-I299 HydrophobicContact CD2-CG1 4.46Å; L233-I299 HydrophobicContact CD2-CG2 4Å; L233-I302 HydrophobicContact CD2-CB 4Å; L233-I302 HydrophobicContact CD2-CD1 4.26Å; L233-I302 HydrophobicContact CD2-CG2 3.75Å; L233-I302 HydrophobicContact CG-CG2 4.33Å; L233-L303 HydrophobicContact CD1-CD2 4.15Å
234I93.9Very high92Very high61 Ų6150.7 Ų50.731%0.31326%0.264SS..Hα-helixtrans-74.1-48.2177.9-66.8177.6000110.7V230 G238 T240 L241 I254V230-I234 HydrophobicContact CG1-CD1 3.65Å; V230-I234 HydrophobicContact CG1-CG1 4.41Å; V230-I234 VanDerWaalsContact O-CB 3.31Å; V230-I234 WeakPolarHBondContact O-CB 3.18Å; V230-I234 WeakPolarHBondContact O-CG1 3.49Å; V230-I234 PolarHBondContact O-N 2.84Å; I234-G238 CarbonylContact O-C 3.57Å; I234-G238 VanDerWaalsContact O-C 3.24Å; I234-G238 WeakPolarHBondContact O-CA 3.41Å; I234-T240 PolarHBondContact O-N 2.99Å; I234-L241 PolarHBondContact O-N 2.92Å; I234-I254 HydrophobicContact CD1-CD1 4.18Å; I234-I254 HydrophobicContact CG1-CD1 3.88Å
235G93.1Very high92.4Very high14 Ų1449.3 Ų49.314%0.14426%0.261CS..  trans67.1-176.9-175.300000114.2G231 R237 G238G231-G235 PolarHBondContact O-N 3.18Å; G235-R237 PolarHBondContact O-N 2.8Å; G235-G238 PolarHBondContact O-N 2.73Å; G235-G238 VanDerWaalsContact O-N 3.13Å
236P93.8Very high92.8Very high10 Ų1052.5 Ų52.57%0.06527%0.265CS..G310 helixtrans-59.8123.4-176.223.2-33000111.2G238 N239 E323 L324 L327P236-G238 PolarHBondContact O-N 3.44Å; P236-N239 WeakPolarHBondContact O-CB 3.18Å; P236-N239 PolarHBondContact O-N 3.48Å; P236-E323 HydrophobicContact CB-CG 4.31Å; P236-E323 HydrophobicContact CG-CB 4.09Å; P236-E323 HydrophobicContact CG-CG 3.72Å; P236-L324 HydrophobicContact CB-CB 4.11Å; P236-L324 HydrophobicContact CB-CD1 4.22Å; P236-L327 HydrophobicContact CB-CD1 4.03Å
237R91Very high93.1Very high151 Ų15151.2 Ų51.257%0.5726%0.259SS*.G310 helixtrans53.522.1-177.8-57.9-174.7177.5158.96.5114.9G235 N239 K242 L327G235-R237 PolarHBondContact O-N 2.8Å; R237-N239 VanDerWaalsContact C-N 3.3Å; R237-K242 PolarHBondContact O-NZ 3.07Å; R237-L327 PolarHBondContact NH2-O 3.19Å
238G92.6Very high93.3Very high11 Ų1150.4 Ų50.411%0.11326%0.255CS..G310 helixtrans75.614.2-17500000114.3I234 G235 P236 K242I234-G238 CarbonylContact O-C 3.57Å; I234-G238 VanDerWaalsContact O-C 3.24Å; I234-G238 WeakPolarHBondContact O-CA 3.41Å; G235-G238 PolarHBondContact O-N 2.73Å; G235-G238 VanDerWaalsContact O-N 3.13Å; P236-G238 PolarHBondContact O-N 3.44Å; G238-K242 WeakPolarHBondContact O-CB 3.24Å; G238-K242 WeakPolarHBondContact O-CD 3.36Å; G238-K242 WeakPolarHBondContact O-CG 3.37Å; G238-K242 PolarHBondContact O-N 3.21Å; G238-K242 VanDerWaalsContact O-N 3.09Å
239N94.1Very high93.4Very high68 Ų6849.9 Ų49.936%0.36426%0.258SS..Hα-helixtrans-66.6-37.4-174.5-69.9-5000112.3P236 R237 N243P236-N239 WeakPolarHBondContact O-CB 3.18Å; P236-N239 PolarHBondContact O-N 3.48Å; R237-N239 VanDerWaalsContact C-N 3.3Å; N239-N243 WeakPolarHBondContact O-CB 3.49Å; N239-N243 PolarHBondContact O-N 3.31Å
240T94.1Very high93.6Very high28 Ų2850.3 Ų50.317%0.17226%0.261CS..Hα-helixtrans-66.1-49178.9-57.30000110.9I234 K242 N243 I244 Q320I234-T240 PolarHBondContact O-N 2.99Å; T240-K242 PolarHBondContact O-N 3.35Å; T240-N243 WeakPolarHBondContact O-CB 3.42Å; T240-N243 PolarHBondContact O-N 2.83Å; T240-N243 VanDerWaalsContact O-N 3.11Å; T240-I244 HydrophobicContact CG2-CD1 4.29Å; T240-I244 WeakPolarHBondContact O-CG1 3.21Å; T240-I244 PolarHBondContact O-N 3.04Å; T240-I244 VanDerWaalsContact O-N 3.09Å; T240-Q320 PolarHBondContact OG1-NE2 3.31Å
241L95.3Very high93.7Very high30 Ų3055.2 Ų55.216%0.15728%0.281CS..Hα-helixtrans-57.3-49.6175.9-172.167.7000111.9L233 I234 N243 I244 E245 I252L233-L241 PolarHBondContact O-N 2.96Å; I234-L241 PolarHBondContact O-N 2.92Å; L241-N243 PolarHBondContact O-N 2.9Å; L241-I244 PolarHBondContact O-N 3.1Å; L241-E245 WeakPolarHBondContact O-CG 3.45Å; L241-E245 PolarHBondContact O-N 3.25Å; L241-I252 HydrophobicContact CD1-CB 3.83Å; L241-I252 HydrophobicContact CD1-CD1 4.09Å; L241-I252 HydrophobicContact CD1-CG2 3.69Å
242K95.2Very high93.8Very high116 Ų11654.1 Ų54.150%0.50427%0.268SS..Hα-helixtrans-59.6-32.8177.3-71.4164.6-172.2158.90112.7R237 G238 T240 K246R237-K242 PolarHBondContact O-NZ 3.07Å; G238-K242 WeakPolarHBondContact O-CB 3.24Å; G238-K242 WeakPolarHBondContact O-CD 3.36Å; G238-K242 WeakPolarHBondContact O-CG 3.37Å; G238-K242 PolarHBondContact O-N 3.21Å; G238-K242 VanDerWaalsContact O-N 3.09Å; T240-K242 PolarHBondContact O-N 3.35Å; K242-K246 VanDerWaalsContact O-CB 3.24Å; K242-K246 WeakPolarHBondContact O-CB 3.41Å; K242-K246 PolarHBondContact O-N 3.07Å
243N94.8Very high93.8Very high71 Ų7156.1 Ų56.138%0.3828%0.278SS..Hα-helixtrans-70-44.3177.2-16367.2000111.2N239 T240 L241 K246 E247N239-N243 WeakPolarHBondContact O-CB 3.49Å; N239-N243 PolarHBondContact O-N 3.31Å; T240-N243 WeakPolarHBondContact O-CB 3.42Å; T240-N243 PolarHBondContact O-N 2.83Å; T240-N243 VanDerWaalsContact O-N 3.11Å; L241-N243 PolarHBondContact O-N 2.9Å; N243-K246 PolarHBondContact O-N 2.93Å; N243-E247 PolarHBondContact ND2-OE1 2.95Å; N243-E247 WeakPolarHBondContact O-CB 3.37Å; N243-E247 WeakPolarHBondContact O-CG 3.39Å; N243-E247 PolarHBondContact O-N 3.43Å
244I94.8Very high93.8Very high10 Ų1057.3 Ų57.35%0.05128%0.284CS..Hα-helixtrans-62.8-43.9175-54.6160.5000110.5T240 L241 K246 E247 C248 I252 Q298 I302T240-I244 HydrophobicContact CG2-CD1 4.29Å; T240-I244 WeakPolarHBondContact O-CG1 3.21Å; T240-I244 PolarHBondContact O-N 3.04Å; T240-I244 VanDerWaalsContact O-N 3.09Å; L241-I244 PolarHBondContact O-N 3.1Å; I244-K246 VanDerWaalsContact C-N 3.31Å; I244-K246 PolarHBondContact O-N 3.3Å; I244-E247 PolarHBondContact O-N 2.99Å; I244-C248 VanDerWaalsContact O-CB 3.31Å; I244-C248 WeakPolarHBondContact O-CB 3.28Å; I244-C248 PolarHBondContact O-N 3.07Å; I244-C248 PolarHBondContact O-SG 3.31Å; I244-C248 VanDerWaalsContact O-SG 3.41Å; I244-I252 HydrophobicContact CB-CD1 4.02Å; I244-I252 HydrophobicContact CG2-CD1 3.66Å; I244-Q298 HydrophobicContact CG2-CB 4.15Å; I244-I302 HydrophobicContact CD1-CD1 3.59Å
245E95.3Very high93.6Very high51 Ų5159.3 Ų59.324%0.23829%0.287CS..Hα-helixtrans-56.9-43.4174.8-73.4-168.1124.100112L241 C249 A250 K251 I252L241-E245 WeakPolarHBondContact O-CG 3.45Å; L241-E245 PolarHBondContact O-N 3.25Å; E245-C249 WeakPolarHBondContact O-CA 3.43Å; E245-C249 PolarHBondContact O-N 2.97Å; E245-A250 CarbonylContact C-O 3.56Å; E245-A250 WeakPolarHBondContact CA-O 3.45Å; E245-A250 WeakPolarHBondContact CB-O 3.36Å; E245-A250 WeakPolarHBondContact CG-O 3.23Å; E245-A250 PolarHBondContact O-N 3.04Å; E245-K251 WeakPolarHBondContact OE1-CA 3.09Å; E245-I252 HydrophobicContact CG-CB 4.12Å; E245-I252 HydrophobicContact CG-CD1 3.91Å; E245-I252 HydrophobicContact CG-CG1 3.95Å; E245-I252 PolarHBondContact OE1-N 2.92Å
246K95.1Very high93.3Very high162 Ų16259.3 Ų59.370%0.70429%0.287SS*.Hα-helixtrans-69.9-47.3178.6-177.7-171.1173.5-164.50112.7K242 N243 I244 C248 C249K242-K246 VanDerWaalsContact O-CB 3.24Å; K242-K246 WeakPolarHBondContact O-CB 3.41Å; K242-K246 PolarHBondContact O-N 3.07Å; N243-K246 PolarHBondContact O-N 2.93Å; I244-K246 VanDerWaalsContact C-N 3.31Å; I244-K246 PolarHBondContact O-N 3.3Å; K246-C248 VanDerWaalsContact C-N 3.31Å; K246-C248 PolarHBondContact O-N 3.41Å; K246-C249 PolarHBondContact O-N 3.5Å
247E93.9Very high92.8Very high104 Ų10464 Ų6449%0.48631%0.307SS..Hα-helixtrans-72.4-23.5-176.9-74.6-179.4-176.400113.6N243 I244 K294N243-E247 PolarHBondContact ND2-OE1 2.95Å; N243-E247 WeakPolarHBondContact O-CB 3.37Å; N243-E247 WeakPolarHBondContact O-CG 3.39Å; N243-E247 PolarHBondContact O-N 3.43Å; I244-E247 PolarHBondContact O-N 2.99Å; E247-K294 PolarHBondContact O-NZ 3.3Å
248C92.7Very high92.2Very high3 Ų359.8 Ų59.82%0.0231%0.31CS..THydrogen-bonded Turntrans-104.8-1.4177.3-54.90000112.9I244 K246 A250 N291 K294 A295I244-C248 VanDerWaalsContact O-CB 3.31Å; I244-C248 WeakPolarHBondContact O-CB 3.28Å; I244-C248 PolarHBondContact O-N 3.07Å; I244-C248 PolarHBondContact O-SG 3.31Å; I244-C248 VanDerWaalsContact O-SG 3.41Å; K246-C248 VanDerWaalsContact C-N 3.31Å; K246-C248 PolarHBondContact O-N 3.41Å; C248-A250 HydrophobicContact CB-CB 4.19Å; C248-A250 PolarHBondContact O-N 3.26Å; C248-N291 WeakPolarHBondContact O-CB 3.41Å; C248-N291 PolarHBondContact O-ND2 3.43Å; C248-K294 HydrophobicContact CB-CD 4.44Å; C248-A295 HydrophobicContact CB-CB 3.69Å
249C91.1Very high91.7Very high90 Ų9060.5 Ų60.561%0.60831%0.313SS*.THydrogen-bonded Turntrans46.148.8-174.4-71.30000112E245 K246 N291E245-C249 WeakPolarHBondContact O-CA 3.43Å; E245-C249 PolarHBondContact O-N 2.97Å; K246-C249 PolarHBondContact O-N 3.5Å; C249-N291 WeakPolarHBondContact CB-ND2 3.36Å; C249-N291 PolarHBondContact O-ND2 2.95Å
250A94.3Very high90.9Very high9 Ų961.1 Ų61.17%0.07432%0.319CS..EExtended strand (participates in β ladder)trans-134.7150.5-173.100000109.9E245 C248 V284 A286 A295E245-A250 CarbonylContact C-O 3.56Å; E245-A250 WeakPolarHBondContact CA-O 3.45Å; E245-A250 WeakPolarHBondContact CB-O 3.36Å; E245-A250 WeakPolarHBondContact CG-O 3.23Å; E245-A250 PolarHBondContact O-N 3.04Å; C248-A250 HydrophobicContact CB-CB 4.19Å; C248-A250 PolarHBondContact O-N 3.26Å; A250-V284 HydrophobicContact CB-CG1 4.18Å; A250-A286 HydrophobicContact CB-CB 3.75Å; A250-A295 HydrophobicContact CB-CB 4.05Å
251K94.3Very high90.1Very high123 Ų12368.3 Ų68.354%0.53535%0.348SS..EExtended strand (participates in β ladder)trans-97.7133.8170.6-176.9172.8-177.7175.80109.7E245 M253 V284 T285E245-K251 WeakPolarHBondContact OE1-CA 3.09Å; K251-M253 HydrophobicContact CD-SD 4.48Å; K251-M253 HydrophobicContact CG-CG 4.41Å; K251-V284 CarbonylContact O-C 3.51Å; K251-V284 WeakPolarHBondContact O-CA 3.44Å; K251-T285 PolarHBondContact N-O 3.08Å; K251-T285 PolarHBondContact O-N 3Å
252I94.9Very high88.6Confident9 Ų975.9 Ų75.95%0.04638%0.383CS..EExtended strand (participates in β ladder)trans-120.1128.5-178.5-56.2164.5000109.1L241 I244 E245 A282 V284 I299L241-I252 HydrophobicContact CD1-CB 3.83Å; L241-I252 HydrophobicContact CD1-CD1 4.09Å; L241-I252 HydrophobicContact CD1-CG2 3.69Å; I244-I252 HydrophobicContact CB-CD1 4.02Å; I244-I252 HydrophobicContact CG2-CD1 3.66Å; E245-I252 HydrophobicContact CG-CB 4.12Å; E245-I252 HydrophobicContact CG-CD1 3.91Å; E245-I252 HydrophobicContact CG-CG1 3.95Å; E245-I252 PolarHBondContact OE1-N 2.92Å; I252-A282 HydrophobicContact CG2-CB 4.21Å; I252-V284 HydrophobicContact CG1-CG2 4.41Å; I252-I299 HydrophobicContact CD1-CD1 4.05Å; I252-I299 HydrophobicContact CG1-CD1 4.35Å; I252-I299 HydrophobicContact CG2-CD1 4.05Å
253M92.5Very high87Confident54 Ų5474.4 Ų74.427%0.26640%0.4SS..EExtended strand (participates in β ladder)trans-129.4109.5178.7-62.4-177.3-63.600109.9K251 L283K251-M253 HydrophobicContact CD-SD 4.48Å; K251-M253 HydrophobicContact CG-CG 4.41Å; M253-L283 HydrophobicContact CE-CD2 3.98Å; M253-L283 HydrophobicContact CE-CG 4.41Å; M253-L283 PolarHBondContact N-O 2.83Å; M253-L283 PolarHBondContact O-N 3.45Å
254I92.6Very high85.3Confident29 Ų2979.3 Ų79.315%0.14942%0.419CS..EExtended strand (participates in β ladder)trans-70.8138.7170.2-45.8-179.1000108.3I219 V230 L233 I234 S259 L280 H281I219-I254 HydrophobicContact CD1-CG2 4.37Å; V230-I254 HydrophobicContact CG1-CD1 4.2Å; L233-I254 HydrophobicContact CB-CD1 4.36Å; I234-I254 HydrophobicContact CD1-CD1 4.18Å; I234-I254 HydrophobicContact CG1-CD1 3.88Å; I254-S259 WeakPolarHBondContact CG2-OG 3.47Å; I254-S259 PolarHBondContact O-OG 2.77Å; I254-L280 HydrophobicContact CG2-CD1 3.84Å; I254-H281 CarbonylContact C-O 3.59Å; I254-H281 WeakPolarHBondContact CA-O 3.28Å
255R90.1Very high83.5Confident103 Ų10383.5 Ų83.539%0.38944%0.444SS..EExtended strand (participates in β ladder)trans-150.3166.5-173.8-72.4-175.2173.9-153.4-3.2110.8S259 H281R255-S259 PolarHBondContact N-OG 3.45Å; R255-H281 WeakPolarHBondContact CB-NE2 3.46Å; R255-H281 PolarHBondContact N-O 3.09Å; R255-H281 PolarHBondContact O-N 3.3Å
256G87.8Confident81.2Confident14 Ų1484.4 Ų84.414%0.14447%0.467CS..SBendtrans89.2-177.3178.500000113.9G258 S259 E278G256-G258 PolarHBondContact O-N 2.92Å; G256-S259 WeakPolarHBondContact O-CB 3.22Å; G256-S259 PolarHBondContact O-N 2.97Å; G256-E278 CarbonylContact C-O 3.46Å; G256-E278 WeakPolarHBondContact CA-O 3.41Å
257K82.9Confident79.3Confident109 Ų10986.2 Ų86.247%0.47447%0.47SS..THydrogen-bonded Turntrans-52.2130.2-178-71.2164.2173.3149.10111.2S259 E276 D277 E278 L280K257-S259 VanDerWaalsContact C-N 3.31Å; K257-S259 PolarHBondContact O-N 2.97Å; K257-E276 WeakPolarHBondContact CG-O 3.36Å; K257-D277 VanDerWaalsContact CE-O 3.26Å; K257-D277 WeakPolarHBondContact CE-O 3.43Å; K257-D277 WeakPolarHBondContact CE-OD2 3.32Å; K257-D277 PolarHBondContact NZ-O 3.16Å; K257-D277 IonicContact NZ-OD2 3.09Å; K257-D277 PolarHBondContact NZ-OD2 3.4Å; K257-E278 PolarHBondContact N-O 2.81Å; K257-L280 WeakPolarHBondContact O-CB 3.2Å; K257-L280 WeakPolarHBondContact O-CD1 3.32Å
258G78.1Confident77.3Confident62 Ų6290.7 Ų90.764%0.63949%0.487SS*.THydrogen-bonded Turntrans79.4-6.8-176.700000116.5G256 V260G256-G258 PolarHBondContact O-N 2.92Å; G258-V260 VanDerWaalsContact C-N 3.25Å; G258-V260 PolarHBondContact O-N 3.43Å
259S81.3Confident75.5Confident26 Ų2696.8 Ų96.818%0.18252%0.519CS..  trans-67.6-18.4-176.4-178.70000115.1I254 R255 G256 K257I254-S259 WeakPolarHBondContact CG2-OG 3.47Å; I254-S259 PolarHBondContact O-OG 2.77Å; R255-S259 PolarHBondContact N-OG 3.45Å; G256-S259 WeakPolarHBondContact O-CB 3.22Å; G256-S259 PolarHBondContact O-N 2.97Å; K257-S259 VanDerWaalsContact C-N 3.31Å; K257-S259 PolarHBondContact O-N 2.97Å
260V78.9Confident73.8Confident80 Ų8096 Ų9649%0.48553%0.526SS..SBendtrans-110.9131.4178.8-174.80000108.5G258 E262 K264 V265G258-V260 VanDerWaalsContact C-N 3.25Å; G258-V260 PolarHBondContact O-N 3.43Å; V260-E262 PolarHBondContact O-N 2.97Å; V260-K264 HydrophobicContact CG1-CB 4.27Å; V260-V265 HydrophobicContact CB-CG2 3.75Å; V260-V265 HydrophobicContact CG1-CG2 3.62Å; V260-V265 HydrophobicContact CG2-CG2 4.18Å
261K77.1Confident72Confident179 Ų179103.8 Ų103.878%0.77856%0.561SS**  trans-55127.5176-176.9172-179.81750110K264K261-K264 WeakPolarHBondContact O-CB 3.47Å; K261-K264 PolarHBondContact O-N 3.06Å; K261-K264 VanDerWaalsContact O-N 3.13Å
262E63.1Low70Confident189 Ų189104.3 Ų104.388%0.88357%0.568SS**THydrogen-bonded Turntrans-49.2140.9179.6-163.4170.2-16600112.1V260 K264V260-E262 PolarHBondContact O-N 2.97Å; E262-K264 VanDerWaalsContact C-N 3.32Å; E262-K264 PolarHBondContact O-N 3.34Å
263G60.7Low68.1Low85 Ų85108.5 Ų108.588%0.87659%0.589SS**THydrogen-bonded Turntrans79.7-1.1-172.300000115.9
264K60.7Low66.4Low175 Ų175112.1 Ų112.176%0.76162%0.617SS**  trans-106.4-4.2177.4-137.1176.8-172.3-178.50115.9V260 K261 E262 G266V260-K264 HydrophobicContact CG1-CB 4.27Å; K261-K264 WeakPolarHBondContact O-CB 3.47Å; K261-K264 PolarHBondContact O-N 3.06Å; K261-K264 VanDerWaalsContact O-N 3.13Å; E262-K264 VanDerWaalsContact C-N 3.32Å; E262-K264 PolarHBondContact O-N 3.34Å; K264-G266 PolarHBondContact O-N 2.87Å
265V55.9Low64.7Low98 Ų98112.1 Ų112.159%0.59462%0.624SS**  trans-9095.3170.1-176.90000108.5V260V260-V265 HydrophobicContact CB-CG2 3.75Å; V260-V265 HydrophobicContact CG1-CG2 3.62Å; V260-V265 HydrophobicContact CG2-CG2 4.18Å
266G47.4Very low63.3Low69 Ų69109.8 Ų109.871%0.71162%0.618SS**  trans-136.547.9-17200000113.9K264K264-G266 PolarHBondContact O-N 2.87Å
267R56Low62.2Low201 Ų201114.9 Ų114.976%0.75864%0.642SS**  trans-83.5138.8160.7-68.2-173.6-178.7-119.50.8108.1D269R267-D269 VanDerWaalsContact C-N 3.29Å; R267-D269 PolarHBondContact O-N 2.87Å
268K52.1Low62.1Low198 Ų198113.4 Ų113.486%0.86164%0.636SS**SBendtrans-90.12.6-162.5-61-179.3-179.4-178.80113.3
269D54.5Low62.6Low130 Ų130113 Ų11370%0.69562%0.623SS**SBendtrans-117.57.7-155-43.7-85.4000113R267 Q271R267-D269 VanDerWaalsContact C-N 3.29Å; R267-D269 PolarHBondContact O-N 2.87Å; D269-Q271 PolarHBondContact O-N 2.92Å
270G55.1Low63.1Low73 Ų73112 Ų11275%0.75362%0.615SS**  trans67.8-11.7174.600000116.8M272G270-M272 PolarHBondContact O-N 3.23Å
271Q55.4Low63.7Low173 Ų173108.3 Ų108.381%0.80859%0.593SS**  trans-67.599.5173.9-76.1-164.4-10.200111.1D269D269-Q271 PolarHBondContact O-N 2.92Å
272M52.4Low64.5Low135 Ų13599.9 Ų99.967%0.66556%0.556SS**  trans-59.9136.9165.2-59-162.178.800109.8G270 E276G270-M272 PolarHBondContact O-N 3.23Å; M272-E276 WeakPolarHBondContact CA-OE2 3.37Å; M272-E276 VanDerWaalsContact CB-OE2 3.31Å; M272-E276 WeakPolarHBondContact CB-OE2 3.15Å; M272-E276 HydrophobicContact CE-CB 3.91Å
273L56.2Low66Low96 Ų9692.3 Ų92.350%0.50352%0.522SS..  trans-68.6138.5177.1-63.6173000109.9G275 E276L273-G275 PolarHBondContact O-N 3.23Å; L273-E276 HydrophobicContact CB-CG 4.04Å; L273-E276 WeakPolarHBondContact CB-OE1 3.47Å; L273-E276 WeakPolarHBondContact CD1-OE1 3.31Å; L273-E276 WeakPolarHBondContact CG-OE1 3.46Å; L273-E276 PolarHBondContact N-OE1 3.36Å; L273-E276 PolarHBondContact N-OE2 3.03Å; L273-E276 PolarHBondContact O-N 3.37Å
274P56.1Low67.7Low131 Ų13188.2 Ų88.285%0.85148%0.48SS*.THydrogen-bonded Turntrans-55.6108.1176.1-2836000111.9
275G57.3Low69.3Low29 Ų2981.1 Ų81.130%0.29945%0.451SS..THydrogen-bonded Turntrans117.2-3-174.400000115.8L273 D277 E278L273-G275 PolarHBondContact O-N 3.23Å; G275-D277 VanDerWaalsContact C-N 3.3Å; G275-D277 PolarHBondContact O-N 3.49Å; G275-E278 PolarHBondContact O-N 3.07Å
276E60.8Low71Confident53 Ų5376.6 Ų76.625%0.24842%0.424CS..THydrogen-bonded Turntrans-72.2-20174.5-75.5173.7-18000113.7K257 M272 L273K257-E276 WeakPolarHBondContact CG-O 3.36Å; M272-E276 WeakPolarHBondContact CA-OE2 3.37Å; M272-E276 VanDerWaalsContact CB-OE2 3.31Å; M272-E276 WeakPolarHBondContact CB-OE2 3.15Å; M272-E276 HydrophobicContact CE-CB 3.91Å; L273-E276 HydrophobicContact CB-CG 4.04Å; L273-E276 WeakPolarHBondContact CB-OE1 3.47Å; L273-E276 WeakPolarHBondContact CD1-OE1 3.31Å; L273-E276 WeakPolarHBondContact CG-OE1 3.46Å; L273-E276 PolarHBondContact N-OE1 3.36Å; L273-E276 PolarHBondContact N-OE2 3.03Å; L273-E276 PolarHBondContact O-N 3.37Å
277D63.9Low72.9Confident122 Ų12279.1 Ų79.165%0.65242%0.421SS*.THydrogen-bonded Turntrans-80.3-16.1173.7-170-123.1000113.4K257 G275K257-D277 VanDerWaalsContact CE-O 3.26Å; K257-D277 WeakPolarHBondContact CE-O 3.43Å; K257-D277 WeakPolarHBondContact CE-OD2 3.32Å; K257-D277 PolarHBondContact NZ-O 3.16Å; K257-D277 IonicContact NZ-OD2 3.09Å; K257-D277 PolarHBondContact NZ-OD2 3.4Å; G275-D277 VanDerWaalsContact C-N 3.3Å; G275-D277 PolarHBondContact O-N 3.49Å
278E81.8Confident74.4Confident77 Ų7772.3 Ų72.336%0.3640%0.402SS..SBendtrans-66.8146.6178.4-65.3-159.9105.600111.5K216 G256 K257 G275 H281K216-E278 IonicContact NZ-OE1 2.92Å; K216-E278 PolarHBondContact NZ-OE1 3.06Å; K216-E278 IonicContact NZ-OE2 2.73Å; K216-E278 PolarHBondContact NZ-OE2 2.94Å; G256-E278 CarbonylContact C-O 3.46Å; G256-E278 WeakPolarHBondContact CA-O 3.41Å; K257-E278 PolarHBondContact N-O 2.81Å; G275-E278 PolarHBondContact O-N 3.07Å; E278-H281 IonicContact OE2-CE1 3.24Å; E278-H281 PolarHBondContact OE2-CE1 2.93Å; E278-H281 IonicContact OE2-NE2 2.8Å
279P87.7Confident76.1Confident55 Ų5566.9 Ų66.936%0.35738%0.381SS..PPolyproline II helixtrans-60.1159.7170.127.3-36.5000111.5M218 H281M218-P279 HydrophobicContact CE-CB 4.04Å; M218-P279 HydrophobicContact CE-CG 3.47Å; M218-P279 VanDerWaalsContact CE-CG 3.47Å; P279-H281 PolarHBondContact O-N 3.39Å; P279-H281 PolarHBondContact O-ND1 3.41Å
280L91.3Very high77.7Confident5 Ų567.9 Ų67.93%0.02638%0.381CS..SBendtrans-59.1124.6-175.6-171.865.6000111.2I219 Q221 V230 I254 K257I219-L280 HydrophobicContact CB-CB 4.3Å; I219-L280 HydrophobicContact CB-CD2 3.99Å; I219-L280 HydrophobicContact CB-CG 3.95Å; I219-L280 HydrophobicContact CD1-CD2 4.39Å; I219-L280 HydrophobicContact CD1-CG 4.12Å; I219-L280 HydrophobicContact CG2-CD2 3.63Å; I219-L280 HydrophobicContact CG2-CG 4.17Å; I219-L280 PolarHBondContact N-O 3.29Å; Q221-L280 HydrophobicContact CB-CB 4.32Å; Q221-L280 HydrophobicContact CB-CD2 3.81Å; Q221-L280 HydrophobicContact CG-CD2 4.02Å; V230-L280 HydrophobicContact CG2-CD1 4.09Å; V230-L280 HydrophobicContact CG2-CD2 3.75Å; I254-L280 HydrophobicContact CG2-CD1 3.84Å; K257-L280 WeakPolarHBondContact O-CB 3.2Å; K257-L280 WeakPolarHBondContact O-CD1 3.32Å
281H92.6Very high79.5Confident2 Ų266.4 Ų66.41%0.00936%0.356CS..EExtended strand (participates in β ladder)trans-151.8152.8-178.766.1-87.7000112.8K216 V217 M218 I254 R255 E278 P279K216-H281 HydrophobicContact CD-CB 4.11Å; K216-H281 WeakPolarHBondContact CE-CD2 3.27Å; K216-H281 WeakPolarHBondContact CE-NE2 3.31Å; K216-H281 HydrophobicContact CG-CB 3.85Å; K216-H281 PolarHBondContact NZ-CE1 3.37Å; K216-H281 PolarHBondContact NZ-NE2 3.04Å; K216-H281 VanDerWaalsContact NZ-NE2 3.15Å; V217-H281 CarbonylContact O-C 3.58Å; V217-H281 WeakPolarHBondContact O-CA 3.41Å; V217-H281 WeakPolarHBondContact O-CB 3.45Å; M218-H281 HydrophobicContact SD-CB 4.34Å; I254-H281 CarbonylContact C-O 3.59Å; I254-H281 WeakPolarHBondContact CA-O 3.28Å; R255-H281 WeakPolarHBondContact CB-NE2 3.46Å; R255-H281 PolarHBondContact N-O 3.09Å; R255-H281 PolarHBondContact O-N 3.3Å; E278-H281 IonicContact OE2-CE1 3.24Å; E278-H281 PolarHBondContact OE2-CE1 2.93Å; E278-H281 IonicContact OE2-NE2 2.8Å; P279-H281 PolarHBondContact O-N 3.39Å; P279-H281 PolarHBondContact O-ND1 3.41Å
282A94.4Very high81.3Confident1 Ų158.2 Ų58.21%0.00832%0.318CS..EExtended strand (participates in β ladder)trans-98.7115.9167.200000109.9V217 I219 I252 I299V217-A282 HydrophobicContact CB-CB 4.41Å; V217-A282 PolarHBondContact N-O 3.01Å; V217-A282 PolarHBondContact O-N 3.24Å; I219-A282 HydrophobicContact CD1-CB 4.39Å; I252-A282 HydrophobicContact CG2-CB 4.21Å; A282-I299 HydrophobicContact CB-CD1 4.31Å
283L94.5Very high83.3Confident30 Ų3057.9 Ų57.916%0.15731%0.313CS..EExtended strand (participates in β ladder)trans-86.2111.4169.8178.860.1000109.1M253M253-L283 HydrophobicContact CE-CD2 3.98Å; M253-L283 HydrophobicContact CE-CG 4.41Å; M253-L283 PolarHBondContact N-O 2.83Å; M253-L283 PolarHBondContact O-N 3.45Å
284V95.9Very high85.2Confident0 Ų057.9 Ų57.90%031%0.309CS..EExtended strand (participates in β ladder)trans-93.5139.2176.5-176.90000108.6S214 D215 V217 A250 K251 I252 V292 A295 V296 I299S214-V284 CarbonylContact C-O 3.58Å; S214-V284 WeakPolarHBondContact CA-O 3.31Å; S214-V284 VanDerWaalsContact CB-O 3.24Å; S214-V284 WeakPolarHBondContact CB-O 3.47Å; D215-V284 PolarHBondContact N-O 2.95Å; D215-V284 PolarHBondContact O-N 3.29Å; V217-V284 HydrophobicContact CG2-CG2 4.28Å; A250-V284 HydrophobicContact CB-CG1 4.18Å; K251-V284 CarbonylContact O-C 3.51Å; K251-V284 WeakPolarHBondContact O-CA 3.44Å; I252-V284 HydrophobicContact CG1-CG2 4.41Å; V284-V292 HydrophobicContact CB-CG1 4.36Å; V284-V292 HydrophobicContact CG1-CB 4.48Å; V284-V292 HydrophobicContact CG1-CG1 4.06Å; V284-A295 HydrophobicContact CG1-CB 3.76Å; V284-V296 HydrophobicContact CB-CG2 4.16Å; V284-V296 HydrophobicContact CG1-CG2 4.44Å; V284-V296 HydrophobicContact CG2-CG2 3.86Å; V284-I299 HydrophobicContact CG2-CD1 3.61Å
285T93.3Very high87Confident26 Ų2651.6 Ų51.616%0.1627%0.268CS..EExtended strand (participates in β ladder)trans-141.7124.5175.9-550000110.9R212 V213 K251R212-T285 HydrophobicContact CB-CG2 3.85Å; R212-T285 HydrophobicContact CG-CG2 4.19Å; V213-T285 CarbonylContact O-C 3.59Å; V213-T285 VanDerWaalsContact O-CA 3.31Å; V213-T285 WeakPolarHBondContact O-CA 3.42Å; K251-T285 PolarHBondContact N-O 3.08Å; K251-T285 PolarHBondContact O-N 3Å
286A92.9Very high88.8Confident3 Ų350.3 Ų50.33%0.02525%0.254CS..EExtended strand (participates in β ladder)trans-141.3176.6178.700000112.7R212 V213 A250 N291 V292R212-A286 WeakPolarHBondContact CA-O 3.2Å; V213-A286 PolarHBondContact N-O 3.4Å; V213-A286 PolarHBondContact O-N 3.05Å; A250-A286 HydrophobicContact CB-CB 3.75Å; A286-N291 HydrophobicContact CB-CB 3.62Å; A286-V292 HydrophobicContact CB-CG2 3.6Å
287N87.7Confident90.5Very high121 Ų12154 Ų5465%0.64727%0.272SS*.SBendtrans-83.1-15.9-179.3-62.9-3.2000113.4
288T86Confident91.9Very high59 Ų5951.7 Ų51.736%0.36226%0.257SS..SBendtrans-135.6151.5178.567.80000110.2E290 N291 V292T288-E290 PolarHBondContact O-N 3.26Å; T288-N291 PolarHBondContact O-N 3.24Å; T288-N291 WeakPolarHBondContact OG1-CB 3.46Å; T288-N291 PolarHBondContact OG1-N 2.73Å; T288-N291 PolarHBondContact OG1-OD1 3.44Å; T288-N291 VanDerWaalsContact OG1-OD1 3.09Å; T288-V292 PolarHBondContact O-N 2.7Å
289M88Confident92.6Very high83 Ų8348.1 Ų48.141%0.40924%0.24SC..Hα-helixtrans-62.6-32.1175.9-174.575.3-114.100112.1V213 V292 K293V213-M289 HydrophobicContact CG1-CE 4.13Å; V213-M289 HydrophobicContact CG1-SD 3.66Å; M289-V292 HydrophobicContact CE-CB 4.23Å; M289-V292 HydrophobicContact CE-CG1 4.17Å; M289-V292 PolarHBondContact O-N 3.49Å; M289-K293 HydrophobicContact CE-CG 3.93Å; M289-K293 HydrophobicContact CG-CD 4.39Å; M289-K293 WeakPolarHBondContact O-CG 3.13Å; M289-K293 PolarHBondContact O-N 3.18Å
290E89.2Confident92.9Very high151 Ų15151.8 Ų51.871%0.70625%0.247SC*.Hα-helixtrans-67.5-44.8179.6-64.1174.8172.100111.8T288 V292 K293 K294T288-E290 PolarHBondContact O-N 3.26Å; E290-V292 VanDerWaalsContact C-N 3.29Å; E290-V292 PolarHBondContact O-N 2.95Å; E290-K293 PolarHBondContact O-N 3.07Å; E290-K294 WeakPolarHBondContact O-CB 3.25Å; E290-K294 PolarHBondContact O-N 3.42Å
291N92.5Very high93Very high43 Ų4355 Ų5523%0.2326%0.264CS..Hα-helixtrans-58.9-41.9174.1-75.519.2000111.7C248 C249 A286 T288 A295C248-N291 WeakPolarHBondContact O-CB 3.41Å; C248-N291 PolarHBondContact O-ND2 3.43Å; C249-N291 WeakPolarHBondContact CB-ND2 3.36Å; C249-N291 PolarHBondContact O-ND2 2.95Å; A286-N291 HydrophobicContact CB-CB 3.62Å; T288-N291 PolarHBondContact O-N 3.24Å; T288-N291 WeakPolarHBondContact OG1-CB 3.46Å; T288-N291 PolarHBondContact OG1-N 2.73Å; T288-N291 PolarHBondContact OG1-OD1 3.44Å; T288-N291 VanDerWaalsContact OG1-OD1 3.09Å; N291-A295 WeakPolarHBondContact O-CB 3.46Å; N291-A295 PolarHBondContact O-N 2.93Å; N291-A295 VanDerWaalsContact O-N 3.09Å
292V93.8Very high93Very high0 Ų055.5 Ų55.50%027%0.266CS..Hα-helixtrans-63.1-51.6174.5178.50000110.5V213 D215 V284 A286 T288 M289 E290 K294 A295 V296V213-V292 HydrophobicContact CB-CG2 4.02Å; V213-V292 HydrophobicContact CG1-CG2 4.01Å; V213-V292 WeakPolarHBondContact O-CG2 3.4Å; D215-V292 HydrophobicContact CB-CG1 3.37Å; V284-V292 HydrophobicContact CB-CG1 4.36Å; V284-V292 HydrophobicContact CG1-CB 4.48Å; V284-V292 HydrophobicContact CG1-CG1 4.06Å; A286-V292 HydrophobicContact CB-CG2 3.6Å; T288-V292 PolarHBondContact O-N 2.7Å; M289-V292 HydrophobicContact CE-CB 4.23Å; M289-V292 HydrophobicContact CE-CG1 4.17Å; M289-V292 PolarHBondContact O-N 3.49Å; E290-V292 VanDerWaalsContact C-N 3.29Å; E290-V292 PolarHBondContact O-N 2.95Å; V292-K294 VanDerWaalsContact C-N 3.34Å; V292-K294 PolarHBondContact O-N 2.88Å; V292-A295 PolarHBondContact O-N 2.83Å; V292-V296 HydrophobicContact CG1-CG2 4.02Å; V292-V296 WeakPolarHBondContact O-CB 3.32Å; V292-V296 WeakPolarHBondContact O-CG2 3.14Å; V292-V296 PolarHBondContact O-N 2.89Å
293K93.8Very high92.8Very high128 Ų12856 Ų5656%0.55727%0.269SS*.Hα-helixtrans-55.3-46.4178.7-76.3175.8177.3-178.60112.2M289 E290 V296 E297M289-K293 HydrophobicContact CE-CG 3.93Å; M289-K293 HydrophobicContact CG-CD 4.39Å; M289-K293 WeakPolarHBondContact O-CG 3.13Å; M289-K293 PolarHBondContact O-N 3.18Å; E290-K293 PolarHBondContact O-N 3.07Å; K293-V296 PolarHBondContact O-N 3.45Å; K293-E297 WeakPolarHBondContact O-CB 3.19Å; K293-E297 PolarHBondContact O-N 2.85Å
294K94.8Very high92.7Very high96 Ų9660.8 Ų60.842%0.41729%0.289SS..Hα-helixtrans-60.4-47.7178.1-171.3-171.5174.3-171.40111.8E247 C248 E290 V292 E297 Q298E247-K294 PolarHBondContact O-NZ 3.3Å; C248-K294 HydrophobicContact CB-CD 4.44Å; E290-K294 WeakPolarHBondContact O-CB 3.25Å; E290-K294 PolarHBondContact O-N 3.42Å; V292-K294 VanDerWaalsContact C-N 3.34Å; V292-K294 PolarHBondContact O-N 2.88Å; K294-E297 PolarHBondContact O-N 2.97Å; K294-Q298 WeakPolarHBondContact O-CG 3.5Å; K294-Q298 PolarHBondContact O-N 3.07Å
295A95.4Very high92.3Very high0 Ų064 Ų640%030%0.304CS..Hα-helixtrans-63.4-4317700000112.1C248 A250 V284 N291 V292 E297 Q298 I299C248-A295 HydrophobicContact CB-CB 3.69Å; A250-A295 HydrophobicContact CB-CB 4.05Å; V284-A295 HydrophobicContact CG1-CB 3.76Å; N291-A295 WeakPolarHBondContact O-CB 3.46Å; N291-A295 PolarHBondContact O-N 2.93Å; N291-A295 VanDerWaalsContact O-N 3.09Å; V292-A295 PolarHBondContact O-N 2.83Å; A295-E297 VanDerWaalsContact C-N 3.35Å; A295-E297 PolarHBondContact O-N 3.15Å; A295-Q298 PolarHBondContact O-N 2.92Å; A295-I299 WeakPolarHBondContact O-CD1 3.33Å; A295-I299 VanDerWaalsContact O-CG1 3.24Å; A295-I299 WeakPolarHBondContact O-CG1 3.47Å; A295-I299 PolarHBondContact O-N 3.27Å
296V95.6Very high92Very high1 Ų163.2 Ų63.21%0.00630%0.3CS..Hα-helixtrans-62.1-40.8177.4164.50000111.6D215 V217 V284 V292 K293 I299 R300D215-V296 HydrophobicContact CB-CG2 4.08Å; V217-V296 HydrophobicContact CG2-CB 4.09Å; V217-V296 HydrophobicContact CG2-CG1 3.84Å; V217-V296 HydrophobicContact CG2-CG2 3.71Å; V284-V296 HydrophobicContact CB-CG2 4.16Å; V284-V296 HydrophobicContact CG1-CG2 4.44Å; V284-V296 HydrophobicContact CG2-CG2 3.86Å; V292-V296 HydrophobicContact CG1-CG2 4.02Å; V292-V296 WeakPolarHBondContact O-CB 3.32Å; V292-V296 WeakPolarHBondContact O-CG2 3.14Å; V292-V296 PolarHBondContact O-N 2.89Å; K293-V296 PolarHBondContact O-N 3.45Å; V296-I299 PolarHBondContact O-N 3.5Å; V296-R300 VanDerWaalsContact CG1-NH2 3.34Å; V296-R300 WeakPolarHBondContact O-CB 3.27Å; V296-R300 VanDerWaalsContact O-CG 3.26Å; V296-R300 WeakPolarHBondContact O-CG 3.43Å; V296-R300 PolarHBondContact O-N 3.42Å
297E95.3Very high91.8Very high132 Ų13266 Ų6662%0.61731%0.314SS*.Hα-helixtrans-66.9-43176.1-175.3165-123.100112.3K293 K294 A295 I299 R300 N301K293-E297 WeakPolarHBondContact O-CB 3.19Å; K293-E297 PolarHBondContact O-N 2.85Å; K294-E297 PolarHBondContact O-N 2.97Å; A295-E297 VanDerWaalsContact C-N 3.35Å; A295-E297 PolarHBondContact O-N 3.15Å; E297-I299 PolarHBondContact O-N 2.9Å; E297-R300 PolarHBondContact O-N 2.89Å; E297-N301 WeakPolarHBondContact O-CB 3.45Å; E297-N301 PolarHBondContact O-N 2.99Å
298Q94.3Very high91.6Very high73 Ų7367.7 Ų67.734%0.34132%0.318SS..Hα-helixtrans-61.2-43.5173.7-70.2-62.1-35.500112.2I244 K294 A295 N301 I302I244-Q298 HydrophobicContact CG2-CB 4.15Å; K294-Q298 WeakPolarHBondContact O-CG 3.5Å; K294-Q298 PolarHBondContact O-N 3.07Å; A295-Q298 PolarHBondContact O-N 2.92Å; Q298-N301 PolarHBondContact O-N 2.84Å; Q298-I302 WeakPolarHBondContact O-CG1 3.36Å; Q298-I302 PolarHBondContact O-N 3.42Å
299I94.9Very high91.2Very high2 Ų266.9 Ų66.91%0.0131%0.314CS..Hα-helixtrans-61.7-46.4175.1-67.1162.9000110.5V217 L233 I252 A282 V284 A295 V296 E297 N301 I302 L303V217-I299 HydrophobicContact CB-CG2 4.2Å; V217-I299 HydrophobicContact CG1-CG2 3.9Å; V217-I299 HydrophobicContact CG2-CD1 4.48Å; V217-I299 HydrophobicContact CG2-CG2 4.38Å; L233-I299 HydrophobicContact CD1-CG2 4.38Å; L233-I299 HydrophobicContact CD2-CB 4.47Å; L233-I299 HydrophobicContact CD2-CG1 4.46Å; L233-I299 HydrophobicContact CD2-CG2 4Å; I252-I299 HydrophobicContact CD1-CD1 4.05Å; I252-I299 HydrophobicContact CG1-CD1 4.35Å; I252-I299 HydrophobicContact CG2-CD1 4.05Å; A282-I299 HydrophobicContact CB-CD1 4.31Å; V284-I299 HydrophobicContact CG2-CD1 3.61Å; A295-I299 WeakPolarHBondContact O-CD1 3.33Å; A295-I299 VanDerWaalsContact O-CG1 3.24Å; A295-I299 WeakPolarHBondContact O-CG1 3.47Å; A295-I299 PolarHBondContact O-N 3.27Å; V296-I299 PolarHBondContact O-N 3.5Å; E297-I299 PolarHBondContact O-N 2.9Å; I299-N301 VanDerWaalsContact C-N 3.31Å; I299-N301 PolarHBondContact O-N 3.42Å; I299-I302 PolarHBondContact O-N 3.36Å; I299-L303 HydrophobicContact CG2-CD1 3.91Å; I299-L303 HydrophobicContact CG2-CG 4.43Å; I299-L303 VanDerWaalsContact O-CG 3.29Å; I299-L303 WeakPolarHBondContact O-CG 3.14Å; I299-L303 PolarHBondContact O-N 3.21Å
300R94.3Very high90.5Very high132 Ų13266.8 Ų66.850%0.49832%0.319SS..Hα-helixtrans-61.1-37.1176.4-74.3171.3-175.6158.96.2112.6V217 V296 E297 L303 K304V217-R300 HydrophobicContact CG1-CG 4.01Å; V296-R300 VanDerWaalsContact CG1-NH2 3.34Å; V296-R300 WeakPolarHBondContact O-CB 3.27Å; V296-R300 VanDerWaalsContact O-CG 3.26Å; V296-R300 WeakPolarHBondContact O-CG 3.43Å; V296-R300 PolarHBondContact O-N 3.42Å; E297-R300 PolarHBondContact O-N 2.89Å; R300-L303 PolarHBondContact O-N 3.43Å; R300-K304 WeakPolarHBondContact O-CG 3.33Å; R300-K304 PolarHBondContact O-N 3.44Å
301N93.3Very high89.4Confident72 Ų7265 Ų6539%0.38531%0.311SS..Hα-helixtrans-64.9-45.5176.3-174.144.3000111.6E297 Q298 I299 L303 K304 Q305E297-N301 WeakPolarHBondContact O-CB 3.45Å; E297-N301 PolarHBondContact O-N 2.99Å; Q298-N301 PolarHBondContact O-N 2.84Å; I299-N301 VanDerWaalsContact C-N 3.31Å; I299-N301 PolarHBondContact O-N 3.42Å; N301-L303 VanDerWaalsContact C-N 3.35Å; N301-L303 PolarHBondContact O-N 3.19Å; N301-K304 PolarHBondContact O-N 2.77Å; N301-Q305 PolarHBondContact ND2-NE2 2.64Å; N301-Q305 WeakPolarHBondContact O-CG 3.48Å; N301-Q305 PolarHBondContact O-N 3.49Å
302I92.3Very high88.2Confident12 Ų1269.6 Ų69.66%0.06234%0.335CS..Hα-helixtrans-63.5-40.2176.1-65.2168.2000111.3L232 L233 I244 Q298 I299 Q305 G306 L316L232-I302 HydrophobicContact CD2-CG2 3.88Å; L232-I302 HydrophobicContact CG-CG2 3.8Å; L233-I302 HydrophobicContact CD2-CB 4Å; L233-I302 HydrophobicContact CD2-CD1 4.26Å; L233-I302 HydrophobicContact CD2-CG2 3.75Å; L233-I302 HydrophobicContact CG-CG2 4.33Å; I244-I302 HydrophobicContact CD1-CD1 3.59Å; Q298-I302 WeakPolarHBondContact O-CG1 3.36Å; Q298-I302 PolarHBondContact O-N 3.42Å; I299-I302 PolarHBondContact O-N 3.36Å; I302-Q305 PolarHBondContact O-N 2.83Å; I302-G306 PolarHBondContact O-N 3.09Å; I302-L316 HydrophobicContact CB-CD2 4.39Å; I302-L316 HydrophobicContact CD1-CD2 4.33Å; I302-L316 HydrophobicContact CG1-CD2 3.84Å; I302-L316 HydrophobicContact CG2-CD2 3.88Å
303L92.1Very high87.4Confident12 Ų1276.1 Ų76.16%0.06337%0.366CS..Hα-helixtrans-61.8-46.9174.9-71.1168.4000111.7V217 I219 F229 L233 I299 R300 N301 G306 I307V217-L303 HydrophobicContact CG1-CD1 4.04Å; I219-L303 HydrophobicContact CB-CD2 4.41Å; I219-L303 HydrophobicContact CG1-CD1 4.22Å; I219-L303 HydrophobicContact CG1-CD2 4.16Å; I219-L303 HydrophobicContact CG2-CD2 3.83Å; F229-L303 HydrophobicContact CB-CD2 4.07Å; F229-L303 HydrophobicContact CD1-CD2 3.57Å; F229-L303 HydrophobicContact CE1-CD2 4.19Å; F229-L303 HydrophobicContact CG-CD2 3.94Å; L233-L303 HydrophobicContact CD1-CD2 4.15Å; I299-L303 HydrophobicContact CG2-CD1 3.91Å; I299-L303 HydrophobicContact CG2-CG 4.43Å; I299-L303 VanDerWaalsContact O-CG 3.29Å; I299-L303 WeakPolarHBondContact O-CG 3.14Å; I299-L303 PolarHBondContact O-N 3.21Å; R300-L303 PolarHBondContact O-N 3.43Å; N301-L303 VanDerWaalsContact C-N 3.35Å; N301-L303 PolarHBondContact O-N 3.19Å; L303-G306 WeakPolarHBondContact O-CA 3.48Å; L303-G306 PolarHBondContact O-N 3.26Å; L303-G306 VanDerWaalsContact O-N 3.14Å; L303-I307 WeakPolarHBondContact O-CG1 3.29Å; L303-I307 PolarHBondContact O-N 2.7Å; L303-I307 VanDerWaalsContact O-N 3.17Å
304K90.7Very high87Confident131 Ų13170.3 Ų70.357%0.5734%0.341SS*.Hα-helixtrans-59.4-47.7174.8-77.3-174.5173.4-162.90112.4R300 N301 G306 I307 E308R300-K304 WeakPolarHBondContact O-CG 3.33Å; R300-K304 PolarHBondContact O-N 3.44Å; N301-K304 PolarHBondContact O-N 2.77Å; K304-G306 PolarHBondContact O-N 3.46Å; K304-I307 PolarHBondContact O-N 3.46Å; K304-E308 WeakPolarHBondContact O-CB 3.47Å; K304-E308 PolarHBondContact O-N 3.01Å
305Q88.6Confident86.7Confident67 Ų6771.3 Ų71.331%0.31335%0.351SS..Hα-helixtrans-59-33175.7-71.8175.5-0.200112N301 I302 T309 N314N301-Q305 PolarHBondContact ND2-NE2 2.64Å; N301-Q305 WeakPolarHBondContact O-CG 3.48Å; N301-Q305 PolarHBondContact O-N 3.49Å; I302-Q305 PolarHBondContact O-N 2.83Å; Q305-T309 VanDerWaalsContact O-CB 3.26Å; Q305-T309 WeakPolarHBondContact O-CB 3.28Å; Q305-T309 PolarHBondContact O-N 3.28Å; Q305-N314 VanDerWaalsContact C-ND2 3.35Å; Q305-N314 PolarHBondContact O-ND2 3.46Å
306G87.1Confident86.3Confident9 Ų972.8 Ų72.89%0.09336%0.359CS..Hα-helixtrans-62.4-43.6172.200000113.6I227 I302 L303 K304I227-G306 WeakPolarHBondContact CD1-O 3.34Å; I302-G306 PolarHBondContact O-N 3.09Å; L303-G306 WeakPolarHBondContact O-CA 3.48Å; L303-G306 PolarHBondContact O-N 3.26Å; L303-G306 VanDerWaalsContact O-N 3.14Å; K304-G306 PolarHBondContact O-N 3.46Å
307I87.4Confident86Confident61 Ų6175.9 Ų75.931%0.31337%0.37SS..Hα-helixtrans-83.2-48.2-174.1-61.8165000112.4P220 Y224 I227 F229 L303 K304P220-I307 HydrophobicContact CG-CD1 3.8Å; Y224-I307 HydrophobicContact CD1-CG2 4.37Å; Y224-I307 HydrophobicContact CD2-CD1 4.14Å; Y224-I307 HydrophobicContact CD2-CG1 4.07Å; Y224-I307 HydrophobicContact CD2-CG2 4.43Å; Y224-I307 HydrophobicContact CE1-CG2 3.8Å; Y224-I307 HydrophobicContact CE2-CD1 4.03Å; Y224-I307 HydrophobicContact CE2-CG1 4.18Å; Y224-I307 HydrophobicContact CE2-CG2 3.88Å; Y224-I307 HydrophobicContact CG-CG1 4.43Å; I227-I307 HydrophobicContact CD1-CG1 4.43Å; F229-I307 HydrophobicContact CE1-CD1 4.36Å; F229-I307 HydrophobicContact CE1-CG1 3.81Å; F229-I307 HydrophobicContact CZ-CD1 4.2Å; F229-I307 HydrophobicContact CZ-CG1 3.71Å; L303-I307 WeakPolarHBondContact O-CG1 3.29Å; L303-I307 PolarHBondContact O-N 2.7Å; L303-I307 VanDerWaalsContact O-N 3.17Å; K304-I307 PolarHBondContact O-N 3.46Å
308E83.4Confident85.7Confident157 Ų15774.7 Ų74.773%0.73436%0.363SS*.Hα-helixtrans-86.1-22.9-167.8-170.7171.5-167.600112.5K304K304-E308 WeakPolarHBondContact O-CB 3.47Å; K304-E308 PolarHBondContact O-N 3.01Å
309T78.7Confident85.6Confident43 Ų4377 Ų7726%0.26438%0.375SS..SBendtrans-106.1115.9178.2-48.10000110.3Q305 Q313 N314Q305-T309 VanDerWaalsContact O-CB 3.26Å; Q305-T309 WeakPolarHBondContact O-CB 3.28Å; Q305-T309 PolarHBondContact O-N 3.28Å; T309-Q313 VanDerWaalsContact CG2-C 3.47Å; T309-Q313 HydrophobicContact CG2-CB 3.64Å; T309-Q313 WeakPolarHBondContact CG2-O 3.19Å; T309-N314 HydrophobicContact CG2-CB 4.27Å
310P73.5Confident85.6Confident81 Ų8177.8 Ų77.853%0.52638%0.379SS..  trans-63.1157.2-179.226.8-34.8000112D312 Q313 N314P310-D312 VanDerWaalsContact C-N 3.33Å; P310-D312 PolarHBondContact O-N 3.23Å; P310-D312 VanDerWaalsContact O-N 3.1Å; P310-Q313 HydrophobicContact CG-CB 4.38Å; P310-Q313 HydrophobicContact CG-CG 4.38Å; P310-Q313 PolarHBondContact O-N 3.13Å; P310-N314 PolarHBondContact O-N 3.24Å
311E66.6Low85.4Confident112 Ų11276.3 Ų76.352%0.52338%0.38SS..G310 helixtrans-50.4-43.6-164-179.7152.9170.100115Q313 N314 R317E311-Q313 VanDerWaalsContact C-N 3.3Å; E311-Q313 PolarHBondContact O-N 2.93Å; E311-N314 PolarHBondContact O-N 2.8Å; E311-R317 IonicContact OE1-CZ 3.79Å; E311-R317 IonicContact OE1-NE 3.02Å; E311-R317 IonicContact OE1-NH1 3.93Å; E311-R317 IonicContact OE1-NH2 2.82Å; E311-R317 PolarHBondContact OE1-NH2 3.15Å; E311-R317 IonicContact OE2-CZ 2.75Å; E311-R317 IonicContact OE2-NH1 2.69Å; E311-R317 PolarHBondContact OE2-NH1 3.27Å; E311-R317 IonicContact OE2-NH2 2.67Å; E311-R317 PolarHBondContact OE2-NH2 3.06Å
312D67.3Low85.4Confident141 Ų14180.8 Ų80.875%0.75439%0.392SS*.G310 helixtrans-69.9-22.4-179.1-63.6-65.6000114.9P310 K318P310-D312 VanDerWaalsContact C-N 3.33Å; P310-D312 PolarHBondContact O-N 3.23Å; P310-D312 VanDerWaalsContact O-N 3.1Å; D312-K318 PolarHBondContact O-NZ 3.46Å
313Q75.5Confident85.3Confident136 Ų13682.7 Ų82.764%0.63640%0.4SS*.G310 helixtrans-99-11.2-178.4-64.5-171.31700113.2T309 P310 E311 D315T309-Q313 VanDerWaalsContact CG2-C 3.47Å; T309-Q313 HydrophobicContact CG2-CB 3.64Å; T309-Q313 WeakPolarHBondContact CG2-O 3.19Å; P310-Q313 HydrophobicContact CG-CB 4.38Å; P310-Q313 HydrophobicContact CG-CG 4.38Å; P310-Q313 PolarHBondContact O-N 3.13Å; E311-Q313 VanDerWaalsContact C-N 3.3Å; E311-Q313 PolarHBondContact O-N 2.93Å; Q313-D315 PolarHBondContact O-N 2.99Å
314N86.1Confident85.4Confident6 Ų685.2 Ų85.23%0.03241%0.413CS..  trans-73.890.6-179.5-171.8-51.1000110.9Q305 T309 P310 E311 L316 R317 K318Q305-N314 VanDerWaalsContact C-ND2 3.35Å; Q305-N314 PolarHBondContact O-ND2 3.46Å; T309-N314 HydrophobicContact CG2-CB 4.27Å; P310-N314 PolarHBondContact O-N 3.24Å; E311-N314 PolarHBondContact O-N 2.8Å; N314-L316 PolarHBondContact O-N 3.34Å; N314-L316 PolarHBondContact OD1-N 3.02Å; N314-R317 HydrophobicContact CB-CB 3.98Å; N314-R317 PolarHBondContact O-N 2.79Å; N314-R317 VanDerWaalsContact O-N 3.12Å; N314-R317 WeakPolarHBondContact OD1-CB 3.39Å; N314-R317 PolarHBondContact OD1-N 3.37Å; N314-K318 WeakPolarHBondContact O-CB 3.44Å; N314-K318 PolarHBondContact O-N 3.04Å
315D87.6Confident85.5Confident117 Ų11780 Ų8063%0.62640%0.395SS*.Hα-helixtrans-57.5-31.6-177.6-84.3-38000113.6Q313 M319Q313-D315 PolarHBondContact O-N 2.99Å; D315-M319 WeakPolarHBondContact O-CB 3.35Å; D315-M319 PolarHBondContact O-N 3.4Å
316L88.4Confident85.6Confident32 Ų3282.8 Ų82.817%0.16840%0.403CS..Hα-helixtrans-67.8-47.6175.7179.661.7000111.1L232 I302 N314 K318 M319 Q320L232-L316 HydrophobicContact CD1-CD2 4.23Å; L232-L316 HydrophobicContact CD1-CG 4.15Å; I302-L316 HydrophobicContact CB-CD2 4.39Å; I302-L316 HydrophobicContact CD1-CD2 4.33Å; I302-L316 HydrophobicContact CG1-CD2 3.84Å; I302-L316 HydrophobicContact CG2-CD2 3.88Å; N314-L316 PolarHBondContact O-N 3.34Å; N314-L316 PolarHBondContact OD1-N 3.02Å; L316-K318 VanDerWaalsContact C-N 3.32Å; L316-K318 PolarHBondContact O-N 2.79Å; L316-M319 PolarHBondContact O-N 2.84Å; L316-Q320 HydrophobicContact CD1-CG 4.42Å; L316-Q320 WeakPolarHBondContact O-CB 3.15Å; L316-Q320 VanDerWaalsContact O-CG 3.27Å; L316-Q320 WeakPolarHBondContact O-CG 3.44Å; L316-Q320 PolarHBondContact O-N 3.37Å
317R88.5Confident85.8Confident65 Ų6584.5 Ų84.525%0.24541%0.41CS..Hα-helixtrans-60.5-42.9175.3-171.3175180170-4.6110.7L232 E311 N314 Q320 L321L232-R317 HydrophobicContact CD1-CB 3.91Å; L232-R317 HydrophobicContact CD1-CG 4.47Å; E311-R317 IonicContact OE1-CZ 3.79Å; E311-R317 IonicContact OE1-NE 3.02Å; E311-R317 IonicContact OE1-NH1 3.93Å; E311-R317 IonicContact OE1-NH2 2.82Å; E311-R317 PolarHBondContact OE1-NH2 3.15Å; E311-R317 IonicContact OE2-CZ 2.75Å; E311-R317 IonicContact OE2-NH1 2.69Å; E311-R317 PolarHBondContact OE2-NH1 3.27Å; E311-R317 IonicContact OE2-NH2 2.67Å; E311-R317 PolarHBondContact OE2-NH2 3.06Å; N314-R317 HydrophobicContact CB-CB 3.98Å; N314-R317 PolarHBondContact O-N 2.79Å; N314-R317 VanDerWaalsContact O-N 3.12Å; N314-R317 WeakPolarHBondContact OD1-CB 3.39Å; N314-R317 PolarHBondContact OD1-N 3.37Å; R317-Q320 PolarHBondContact O-N 2.86Å; R317-L321 HydrophobicContact CG-CD1 4.2Å; R317-L321 WeakPolarHBondContact O-CB 3.41Å; R317-L321 VanDerWaalsContact O-CG 3.29Å; R317-L321 WeakPolarHBondContact O-CG 3.29Å; R317-L321 PolarHBondContact O-N 2.94Å
318K90.1Very high86Confident108 Ų10886 Ų8647%0.4742%0.419SS..Hα-helixtrans-63.3-43.5176.7-164.5172.5-166.6160.70112.6D312 N314 L316 R322D312-K318 PolarHBondContact O-NZ 3.46Å; N314-K318 WeakPolarHBondContact O-CB 3.44Å; N314-K318 PolarHBondContact O-N 3.04Å; L316-K318 VanDerWaalsContact C-N 3.32Å; L316-K318 PolarHBondContact O-N 2.79Å; K318-R322 WeakPolarHBondContact O-CB 3.49Å; K318-R322 PolarHBondContact O-N 3.15Å
319M91.3Very high86.3Confident121 Ų12181.6 Ų81.660%0.59642%0.415SS*.Hα-helixtrans-63-46.1173.2-175.3-159.4-55.500111.2D315 L316 R322 E323D315-M319 WeakPolarHBondContact O-CB 3.35Å; D315-M319 PolarHBondContact O-N 3.4Å; L316-M319 PolarHBondContact O-N 2.84Å; M319-R322 PolarHBondContact O-N 2.89Å; M319-E323 WeakPolarHBondContact O-CB 3.49Å; M319-E323 PolarHBondContact O-N 3.22Å
320Q94.1Very high86.7Confident19 Ų1984.4 Ų84.49%0.08943%0.432CS..Hα-helixtrans-63.2-40.7178.1-75.2-177.712.200112.6L232 T240 L316 R317 L324L232-Q320 PolarHBondContact O-NE2 3.11Å; L232-Q320 PolarHBondContact O-OE1 3.44Å; T240-Q320 PolarHBondContact OG1-NE2 3.31Å; L316-Q320 HydrophobicContact CD1-CG 4.42Å; L316-Q320 WeakPolarHBondContact O-CB 3.15Å; L316-Q320 VanDerWaalsContact O-CG 3.27Å; L316-Q320 WeakPolarHBondContact O-CG 3.44Å; L316-Q320 PolarHBondContact O-N 3.37Å; R317-Q320 PolarHBondContact O-N 2.86Å; Q320-L324 VanDerWaalsContact O-CB 3.24Å; Q320-L324 WeakPolarHBondContact O-CB 3.3Å; Q320-L324 PolarHBondContact O-N 2.91Å
321L91.3Very high86.9Confident101 Ų10183.5 Ų83.553%0.52942%0.423SS..Hα-helixtrans-67-43.1175.4-73.6169.2000111.8R317 L324 A325R317-L321 HydrophobicContact CG-CD1 4.2Å; R317-L321 WeakPolarHBondContact O-CB 3.41Å; R317-L321 VanDerWaalsContact O-CG 3.29Å; R317-L321 WeakPolarHBondContact O-CG 3.29Å; R317-L321 PolarHBondContact O-N 2.94Å; L321-L324 PolarHBondContact O-N 3.24Å; L321-A325 WeakPolarHBondContact O-CB 3.47Å; L321-A325 PolarHBondContact O-N 2.86Å
322R92Very high87.4Confident166 Ų16687.1 Ų87.163%0.62643%0.431SS*.Hα-helixtrans-58.9-48.6173-179.7-175.3-73.5169.8-4.6111.3K318 M319 A325 R326 L331K318-R322 WeakPolarHBondContact O-CB 3.49Å; K318-R322 PolarHBondContact O-N 3.15Å; M319-R322 PolarHBondContact O-N 2.89Å; R322-A325 PolarHBondContact O-N 2.86Å; R322-R326 WeakPolarHBondContact O-CB 3.18Å; R322-R326 PolarHBondContact O-N 2.91Å; R322-L331 HydrophobicContact CG-CD2 3.75Å
323E92.1Very high87.1Confident51 Ų5188.3 Ų88.324%0.23843%0.433CS..Hα-helixtrans-66.4-37.3179176.860.7-174.500111.9P236 M319 R326 L327P236-E323 HydrophobicContact CB-CG 4.31Å; P236-E323 HydrophobicContact CG-CB 4.09Å; P236-E323 HydrophobicContact CG-CG 3.72Å; M319-E323 WeakPolarHBondContact O-CB 3.49Å; M319-E323 PolarHBondContact O-N 3.22Å; E323-R326 VanDerWaalsContact CD-NH2 3.26Å; E323-R326 PolarHBondContact O-N 3Å; E323-R326 IonicContact OE1-CZ 2.63Å; E323-R326 IonicContact OE1-NE 2.65Å; E323-R326 IonicContact OE1-NH2 3.13Å; E323-R326 PolarHBondContact OE1-NH2 3.04Å; E323-R326 IonicContact OE2-CZ 2.64Å; E323-R326 VanDerWaalsContact OE2-CZ 3.24Å; E323-R326 IonicContact OE2-NE 2.7Å; E323-R326 PolarHBondContact OE2-NE 3.39Å; E323-R326 IonicContact OE2-NH2 2.76Å; E323-R326 PolarHBondContact OE2-NH2 2.77Å; E323-L327 HydrophobicContact CG-CD1 3.89Å; E323-L327 HydrophobicContact CG-CG 4.39Å; E323-L327 VanDerWaalsContact O-CB 3.29Å; E323-L327 WeakPolarHBondContact O-CB 3.48Å; E323-L327 WeakPolarHBondContact O-CG 3.49Å; E323-L327 PolarHBondContact O-N 3.38Å; E323-L327 WeakPolarHBondContact OE1-CD1 3.49Å
324L93.4Very high86Confident65 Ų6584.6 Ų84.634%0.3442%0.417SS..Hα-helixtrans-62.4-46.2173-175.961.3000111.5P236 Q320 L321 L327 N328P236-L324 HydrophobicContact CB-CB 4.11Å; P236-L324 HydrophobicContact CB-CD1 4.22Å; Q320-L324 VanDerWaalsContact O-CB 3.24Å; Q320-L324 WeakPolarHBondContact O-CB 3.3Å; Q320-L324 PolarHBondContact O-N 2.91Å; L321-L324 PolarHBondContact O-N 3.24Å; L324-L327 PolarHBondContact O-N 2.88Å; L324-N328 VanDerWaalsContact O-CB 3.31Å; L324-N328 WeakPolarHBondContact O-CB 3.4Å; L324-N328 PolarHBondContact O-N 3.11Å; L324-N328 PolarHBondContact O-ND2 2.95Å
325A92.1Very high84.5Confident23 Ų2389.4 Ų89.419%0.1944%0.443CS..Hα-helixtrans-65.3-37.3177.800000112.1L321 R322 N328 G329 T330 L331L321-A325 WeakPolarHBondContact O-CB 3.47Å; L321-A325 PolarHBondContact O-N 2.86Å; R322-A325 PolarHBondContact O-N 2.86Å; A325-N328 PolarHBondContact O-N 3.35Å; A325-G329 PolarHBondContact O-N 3.24Å; A325-G329 VanDerWaalsContact O-N 3.12Å; A325-T330 WeakPolarHBondContact CA-OG1 3.24Å; A325-T330 PolarHBondContact O-N 3.44Å; A325-T330 PolarHBondContact O-OG1 3.44Å; A325-L331 HydrophobicContact CB-CB 3.79Å; A325-L331 PolarHBondContact O-N 2.94Å
326R91.6Very high82.8Confident125 Ų12591.5 Ų91.547%0.47245%0.454SS..Hα-helixtrans-63.8-48.4172.1-166.1-175.970.390.63.1111.7R322 E323 N328 G329 L331R322-R326 WeakPolarHBondContact O-CB 3.18Å; R322-R326 PolarHBondContact O-N 2.91Å; E323-R326 VanDerWaalsContact CD-NH2 3.26Å; E323-R326 PolarHBondContact O-N 3Å; E323-R326 IonicContact OE1-CZ 2.63Å; E323-R326 IonicContact OE1-NE 2.65Å; E323-R326 IonicContact OE1-NH2 3.13Å; E323-R326 PolarHBondContact OE1-NH2 3.04Å; E323-R326 IonicContact OE2-CZ 2.64Å; E323-R326 VanDerWaalsContact OE2-CZ 3.24Å; E323-R326 IonicContact OE2-NE 2.7Å; E323-R326 PolarHBondContact OE2-NE 3.39Å; E323-R326 IonicContact OE2-NH2 2.76Å; E323-R326 PolarHBondContact OE2-NH2 2.77Å; R326-N328 PolarHBondContact O-N 3.45Å; R326-G329 PolarHBondContact O-N 3.28Å; R326-L331 HydrophobicContact CB-CB 4.43Å; R326-L331 HydrophobicContact CB-CD2 4.02Å
327L91.1Very high81.1Confident45 Ų4599 Ų9924%0.23648%0.48CS..Hα-helixtrans-65.8-24.3178.2-73170.4000113.4P236 R237 E323 L324P236-L327 HydrophobicContact CB-CD1 4.03Å; R237-L327 PolarHBondContact NH2-O 3.19Å; E323-L327 HydrophobicContact CG-CD1 3.89Å; E323-L327 HydrophobicContact CG-CG 4.39Å; E323-L327 VanDerWaalsContact O-CB 3.29Å; E323-L327 WeakPolarHBondContact O-CB 3.48Å; E323-L327 WeakPolarHBondContact O-CG 3.49Å; E323-L327 PolarHBondContact O-N 3.38Å; E323-L327 WeakPolarHBondContact OE1-CD1 3.49Å; L324-L327 PolarHBondContact O-N 2.88Å
328N91.6Very high79.4Confident93 Ų93100.6 Ų100.650%0.49749%0.492SS..THydrogen-bonded Turntrans-90.2-4.4174.3-67.4-12.8000113.4L324 A325 R326 T330L324-N328 VanDerWaalsContact O-CB 3.31Å; L324-N328 WeakPolarHBondContact O-CB 3.4Å; L324-N328 PolarHBondContact O-N 3.11Å; L324-N328 PolarHBondContact O-ND2 2.95Å; A325-N328 PolarHBondContact O-N 3.35Å; R326-N328 PolarHBondContact O-N 3.45Å; N328-T330 HydrophobicContact CB-CG2 4.34Å; N328-T330 PolarHBondContact O-N 3.27Å
329G88.9Confident77.6Confident64 Ų64102.5 Ų102.566%0.6651%0.507SS*.THydrogen-bonded Turntrans68.811.2-176.600000115A325 R326A325-G329 PolarHBondContact O-N 3.24Å; A325-G329 VanDerWaalsContact O-N 3.12Å; R326-G329 PolarHBondContact O-N 3.28Å
330T87.4Confident75.8Confident101 Ų101104.6 Ų104.662%0.6251%0.508SS*.  trans-87.7-25.3178.158.60000112.4A325 N328 R332A325-T330 WeakPolarHBondContact CA-OG1 3.24Å; A325-T330 PolarHBondContact O-N 3.44Å; A325-T330 PolarHBondContact O-OG1 3.44Å; N328-T330 HydrophobicContact CB-CG2 4.34Å; N328-T330 PolarHBondContact O-N 3.27Å; T330-R332 PolarHBondContact O-N 3.5Å
331L78.7Confident73.7Confident63 Ų63108.2 Ų108.233%0.3353%0.533SS..SBendtrans-74.9114168.5-17172.7000109.3R322 A325 R326R322-L331 HydrophobicContact CG-CD2 3.75Å; A325-L331 HydrophobicContact CB-CB 3.79Å; A325-L331 PolarHBondContact O-N 2.94Å; R326-L331 HydrophobicContact CB-CB 4.43Å; R326-L331 HydrophobicContact CB-CD2 4.02Å
332R75.4Confident71.5Confident187 Ų187115.3 Ų115.371%0.70655%0.553SS**  trans-85.4137.5166-51.7-174.97999.90.1108.3T330 D334T330-R332 PolarHBondContact O-N 3.5Å; R332-D334 PolarHBondContact O-N 2.94Å
333E61.3Low69.4Low167 Ų167114 Ų11478%0.7855%0.554SS**THydrogen-bonded Turntrans-76.4-5.3-177.3-61.6174.3149.900112.4D335E333-D335 PolarHBondContact O-N 2.96Å
334D53.6Low67.1Low58 Ų58116.9 Ų116.931%0.3157%0.571SS.*THydrogen-bonded Turntrans-81.910.6-177.6-67.5-78.6000116.1R332 N336 R337 I338R332-D334 PolarHBondContact O-N 2.94Å; D334-N336 PolarHBondContact O-N 3.18Å; D334-N336 VanDerWaalsContact O-N 3.16Å; D334-R337 HydrophobicContact CB-CB 4.37Å; D334-R337 WeakPolarHBondContact O-CA 3.36Å; D334-R337 WeakPolarHBondContact O-CB 3.26Å; D334-R337 PolarHBondContact O-N 2.99Å; D334-R337 WeakPolarHBondContact OD1-CD 3.19Å; D334-R337 IonicContact OD1-CZ 3.8Å; D334-R337 IonicContact OD1-NH1 3.99Å; D334-R337 PolarHBondContact OD1-NH1 3.33Å; D334-I338 HydrophobicContact CB-CD1 4.13Å; D334-I338 HydrophobicContact CB-CG1 4.37Å; D334-I338 WeakPolarHBondContact O-CG1 3.08Å; D334-I338 PolarHBondContact O-N 3.33Å
335D54.7Low65.2Low106 Ų106119.3 Ų119.357%0.56759%0.594SS**Hα-helixtrans-55.4-37.9179.1-152.8-29000111.4E333 R337 I338E333-D335 PolarHBondContact O-N 2.96Å; D335-R337 PolarHBondContact O-N 3.35Å; D335-I338 PolarHBondContact O-N 2.92Å; D335-I338 VanDerWaalsContact O-N 3.17Å
336N50.2Low63.1Low161 Ų161124 Ų12486%0.86161%0.612SS**Hα-helixtrans-70.40.4174.7-136.6113.1000115.1D334D334-N336 PolarHBondContact O-N 3.18Å; D334-N336 VanDerWaalsContact O-N 3.16Å
337R53.9Low61.2Low189 Ų189123.9 Ų123.971%0.71363%0.627SS**Hα-helixtrans-112-32.4168.8-85.1170.1158.8175.8-4112.7D334 D335 L339 R340D334-R337 HydrophobicContact CB-CB 4.37Å; D334-R337 WeakPolarHBondContact O-CA 3.36Å; D334-R337 WeakPolarHBondContact O-CB 3.26Å; D334-R337 PolarHBondContact O-N 2.99Å; D334-R337 WeakPolarHBondContact OD1-CD 3.19Å; D334-R337 IonicContact OD1-CZ 3.8Å; D334-R337 IonicContact OD1-NH1 3.99Å; D334-R337 PolarHBondContact OD1-NH1 3.33Å; D335-R337 PolarHBondContact O-N 3.35Å; R337-L339 PolarHBondContact O-N 3.47Å; R337-R340 PolarHBondContact O-N 2.98Å
338I52.7Low59.5Low99 Ų99132.1 Ų132.151%0.50866%0.655SS.*Hα-helixtrans-67.7-19.4-171.2-72.8164.2000112.7D334 D335 R340 P341D334-I338 HydrophobicContact CB-CD1 4.13Å; D334-I338 HydrophobicContact CB-CG1 4.37Å; D334-I338 WeakPolarHBondContact O-CG1 3.08Å; D334-I338 PolarHBondContact O-N 3.33Å; D335-I338 PolarHBondContact O-N 2.92Å; D335-I338 VanDerWaalsContact O-N 3.17Å; I338-R340 PolarHBondContact O-N 3.12Å; I338-P341 VanDerWaalsContact O-CD 3.25Å; I338-P341 WeakPolarHBondContact O-CD 3.26Å; I338-P341 WeakPolarHBondContact O-CG 3.44Å
339L51.3Low57.8Low148 Ų148130.7 Ų130.778%0.77565%0.652SS**THydrogen-bonded Turntrans-69.7-7.2173.9-66.4179.1000115.3R337R337-L339 PolarHBondContact O-N 3.47Å
340R54.6Low56.5Low166 Ų166134.3 Ų134.363%0.62666%0.655SS**  trans-139.160.1176-53-167.2-161.1-149.10.4115.6R337 I338 W342 Q343R337-R340 PolarHBondContact O-N 2.98Å; I338-R340 PolarHBondContact O-N 3.12Å; R340-W342 PolarHBondContact O-N 2.83Å; R340-Q343 HydrophobicContact CB-CB 4.05Å; R340-Q343 PolarHBondContact O-N 3.49Å
341P48.8Very low55.2Low94 Ų94132.4 Ų132.461%0.6164%0.643SS**G310 helixtrans-61.9-30176.7-17.833.7000112.1I338I338-P341 VanDerWaalsContact O-CD 3.25Å; I338-P341 WeakPolarHBondContact O-CD 3.26Å; I338-P341 WeakPolarHBondContact O-CG 3.44Å
342W46.6Very low54.3Low250 Ų250135.4 Ų135.495%0.94766%0.659SS**G310 helixtrans-87.2-5.6-177.9-66.896.4000115.3R340R340-W342 PolarHBondContact O-N 2.83Å
343Q48.3Very low54Low140 Ų140132.3 Ų132.365%0.65466%0.661SS**G310 helixtrans-1037.1177.7-152.3176.37.400113.6R340R340-Q343 HydrophobicContact CB-CB 4.05Å; R340-Q343 PolarHBondContact O-N 3.49Å
344N44Very low54.9Low111 Ų111126.5 Ų126.559%0.59464%0.637SS**  trans-126.283.2170.8-17125.7000110.2E346N344-E346 PolarHBondContact O-N 3.09Å; N344-E346 PolarHBondContact OD1-O 3.35Å
345S52Low56.2Low116 Ų116129.2 Ų129.281%0.81165%0.652SS**  trans-72.511.3-175.959.40000114.8
346E47.7Very low57.5Low122 Ų122124.2 Ų124.257%0.5763%0.625SS**  trans-143.7113.8-178.1-151.792.2-132.800110.7N344 R348N344-E346 PolarHBondContact O-N 3.09Å; N344-E346 PolarHBondContact OD1-O 3.35Å; E346-R348 HydrophobicContact CB-CG 4.45Å; E346-R348 HydrophobicContact CG-CG 4.48Å; E346-R348 PolarHBondContact O-N 3.12Å
347P52.2Low59Low121 Ų121122.8 Ų122.879%0.78662%0.622SS**  trans-70.582.9160.131-31.7000107.6S349P347-S349 PolarHBondContact O-N 3.48Å
348R56.3Low60.4Low218 Ų218119.1 Ų119.182%0.82361%0.611SS**  trans-50.3103.8-179.2-74.1-172.7176.7-122.8-3.2109.8E346 I350E346-R348 HydrophobicContact CB-CG 4.45Å; E346-R348 HydrophobicContact CG-CG 4.48Å; E346-R348 PolarHBondContact O-N 3.12Å; R348-I350 PolarHBondContact O-N 3.49Å; R348-I350 VanDerWaalsContact O-N 3.1Å
349S55.8Low61.7Low63 Ų63116.9 Ų116.944%0.44160%0.604SS.*  trans-59.1118.4-172.3-175.50000109.9P347 T351 N352P347-S349 PolarHBondContact O-N 3.48Å; S349-T351 PolarHBondContact O-N 2.65Å; S349-T351 PolarHBondContact OG-OG1 3.43Å; S349-N352 WeakPolarHBondContact O-CB 3.17Å; S349-N352 PolarHBondContact O-N 3.11Å
350I60.1Low63Low140 Ų140112.6 Ų112.672%0.71860%0.596SS**G310 helixtrans-63.7-16.1-173.6-159.6162.2000112.7R348 N352 T353 T354R348-I350 PolarHBondContact O-N 3.49Å; R348-I350 VanDerWaalsContact O-N 3.1Å; I350-N352 VanDerWaalsContact C-N 3.33Å; I350-N352 PolarHBondContact O-N 3.12Å; I350-T353 PolarHBondContact O-N 2.78Å; I350-T354 PolarHBondContact O-N 2.85Å; I350-T354 PolarHBondContact O-OG1 2.63Å
351T60.8Low64.1Low61 Ų61106.1 Ų106.137%0.37458%0.581SS.*G310 helixtrans-59.4-38.4168.260.20000112.6S349 T353 T354 G363S349-T351 PolarHBondContact O-N 2.65Å; S349-T351 PolarHBondContact OG-OG1 3.43Å; T351-T353 PolarHBondContact O-N 2.93Å; T351-T354 PolarHBondContact O-N 2.94Å; T351-T354 VanDerWaalsContact O-N 3.1Å; T351-G363 WeakPolarHBondContact O-CA 3.39Å; T351-G363 PolarHBondContact O-N 3.38Å
352N60.4Low65.6Low126 Ų126103.9 Ų103.967%0.67457%0.57SS**G310 helixtrans-71-11.8-177.5-99.1-8.1000114.6S349 I350S349-N352 WeakPolarHBondContact O-CB 3.17Å; S349-N352 PolarHBondContact O-N 3.11Å; I350-N352 VanDerWaalsContact C-N 3.33Å; I350-N352 PolarHBondContact O-N 3.12Å
353T69.5Low67.3Low122 Ų12293.6 Ų93.675%0.74854%0.541SS*.G310 helixtrans-108.1-6.6172.5-40.90000112I350 T351 L355I350-T353 PolarHBondContact O-N 2.78Å; T351-T353 PolarHBondContact O-N 2.93Å; T353-L355 PolarHBondContact O-N 2.74Å
354T79.9Confident68.8Low45 Ų4589 Ų8928%0.27652%0.52SS..  trans-85.195.9176.7-58.10000109.1I350 T351 A362 G363 I365I350-T354 PolarHBondContact O-N 2.85Å; I350-T354 PolarHBondContact O-OG1 2.63Å; T351-T354 PolarHBondContact O-N 2.94Å; T351-T354 VanDerWaalsContact O-N 3.1Å; T354-A362 CarbonylContact O-C 3.24Å; T354-A362 WeakPolarHBondContact O-CA 3.45Å; T354-G363 PolarHBondContact O-N 3.47Å; T354-I365 HydrophobicContact CG2-CG2 3.7Å
355L81.3Confident70.7Confident116 Ų11687.8 Ų87.861%0.60751%0.512SS*.BIsolated β-bridgetrans-84.8128.5176.4-60179.7000111.1T353 T357 A362T353-L355 PolarHBondContact O-N 2.74Å; L355-T357 PolarHBondContact O-N 3.28Å; L355-A362 HydrophobicContact CD2-CB 3.93Å
356C81.6Confident72.2Confident1 Ų183.7 Ų83.71%0.00748%0.484CS..  trans-78.5115.1176.81760000111.3K358 C359 G360 G361 H364 C369C356-K358 PolarHBondContact O-N 2.95Å; C356-C359 PolarHBondContact O-N 3.01Å; C356-C359 VanDerWaalsContact SG-SG 3.63Å; C356-G360 WeakPolarHBondContact O-CA 3.24Å; C356-G360 PolarHBondContact O-N 2.88Å; C356-G361 WeakPolarHBondContact CB-O 3.31Å; C356-G361 PolarHBondContact N-O 2.87Å; C356-H364 VanDerWaalsContact CB-CE1 3.41Å; C356-H364 WeakPolarHBondContact CB-CE1 3.24Å; C356-H364 WeakPolarHBondContact CB-NE2 3.39Å; C356-H364 PolarHBondContact SG-NE2 3.27Å; C356-C369 VanDerWaalsContact SG-CB 3.54Å
357T81.2Confident73.6Confident131 Ų13182.4 Ų82.480%0.80449%0.488SS*.THydrogen-bonded Turntrans-66.6-8.9-178.959.70000114.7L355 S366L355-T357 PolarHBondContact O-N 3.28Å; T357-S366 PolarHBondContact N-OG 3.15Å; T357-S366 PolarHBondContact OG1-OG 3.32Å
358K82.7Confident74.7Confident111 Ų11182.2 Ų82.248%0.48348%0.481SS..THydrogen-bonded Turntrans-90.4-22.3174.2-72-177.8-178.9173.70114.6C356 S366 C369 T372C356-K358 PolarHBondContact O-N 2.95Å; K358-S366 WeakPolarHBondContact CD-O 3.19Å; K358-S366 WeakPolarHBondContact CE-O 3.5Å; K358-S366 PolarHBondContact NZ-O 2.81Å; K358-S366 VanDerWaalsContact NZ-O 3.07Å; K358-C369 HydrophobicContact CB-CB 4.33Å; K358-C369 HydrophobicContact CD-CB 4.07Å; K358-T372 PolarHBondContact NZ-OG1 3.17Å
359C81.1Confident75.9Confident53 Ų5372 Ų7236%0.35844%0.442SS..THydrogen-bonded Turntrans-144.75.8-173.671.90000115C356 G361 C369 Y371C356-C359 PolarHBondContact O-N 3.01Å; C356-C359 VanDerWaalsContact SG-SG 3.63Å; C359-G361 PolarHBondContact O-N 3.41Å; C359-C369 VanDerWaalsContact SG-SG 3.69Å; C359-Y371 HydrophobicContact CB-CD2 4.36Å
360G77.8Confident76.7Confident58 Ų5876.4 Ų76.460%0.59845%0.454SS*.  trans71.2-23.4179.800000115.7C356C356-G360 WeakPolarHBondContact O-CA 3.24Å; C356-G360 PolarHBondContact O-N 2.88Å
361G77.9Confident76.9Confident30 Ų3076.6 Ų76.631%0.30945%0.446SS..  trans-63.3137.2-177.500000113.8C356 C359C356-G361 WeakPolarHBondContact CB-O 3.31Å; C356-G361 PolarHBondContact N-O 2.87Å; C359-G361 PolarHBondContact O-N 3.41Å
362A79.6Confident76.8Confident46 Ų4677.6 Ų77.638%0.3845%0.452SS..BIsolated β-bridgetrans-66.9167.7167.500000111.7T354 L355T354-A362 CarbonylContact O-C 3.24Å; T354-A362 WeakPolarHBondContact O-CA 3.45Å; L355-A362 HydrophobicContact CD2-CB 3.93Å
363G82.6Confident76.6Confident34 Ų3476.1 Ų76.135%0.35145%0.452SS..SBendtrans105.1-14.4166.500000115.9T351 T354T351-G363 WeakPolarHBondContact O-CA 3.39Å; T351-G363 PolarHBondContact O-N 3.38Å; T354-G363 PolarHBondContact O-N 3.47Å
364H80.3Confident75.8Confident43 Ų4375.4 Ų75.420%0.19945%0.448CS..SBendtrans-157.1157.4-172.767.5-64.9000112.5C356C356-H364 VanDerWaalsContact CB-CE1 3.41Å; C356-H364 WeakPolarHBondContact CB-CE1 3.24Å; C356-H364 WeakPolarHBondContact CB-NE2 3.39Å; C356-H364 PolarHBondContact SG-NE2 3.27Å
365I84.8Confident74.2Confident87 Ų8781.5 Ų81.545%0.44647%0.471SS..  trans-84.5159.2173.759.4170.1000111.8T354 S367 D368T354-I365 HydrophobicContact CG2-CG2 3.7Å; I365-S367 PolarHBondContact O-N 3.48Å; I365-D368 WeakPolarHBondContact CD1-OD2 3.39Å; I365-D368 WeakPolarHBondContact CG1-OD2 3.38Å; I365-D368 PolarHBondContact O-N 2.99Å; I365-D368 VanDerWaalsContact O-N 3.07Å
366S81.5Confident72.5Confident29 Ų2980.9 Ų80.920%0.20348%0.482CS..THydrogen-bonded Turntrans-63.2-14.1-176.9-52.60000115.4T357 K358T357-S366 PolarHBondContact N-OG 3.15Å; T357-S366 PolarHBondContact OG1-OG 3.32Å; K358-S366 WeakPolarHBondContact CD-O 3.19Å; K358-S366 WeakPolarHBondContact CE-O 3.5Å; K358-S366 PolarHBondContact NZ-O 2.81Å; K358-S366 VanDerWaalsContact NZ-O 3.07Å
367S77.9Confident70.8Confident96 Ų9683.9 Ų83.967%0.67151%0.513SS*.THydrogen-bonded Turntrans-69.6-47.7171.3-51.90000111.3I365 C369I365-S367 PolarHBondContact O-N 3.48Å; S367-C369 VanDerWaalsContact C-N 3.25Å; S367-C369 PolarHBondContact O-N 2.99Å
368D75.7Confident69Low117 Ų11785.8 Ų85.863%0.62651%0.513SS*.SBendtrans-90.416.8-173.5-49.7-56.7000112.7I365 K370I365-D368 WeakPolarHBondContact CD1-OD2 3.39Å; I365-D368 WeakPolarHBondContact CG1-OD2 3.38Å; I365-D368 PolarHBondContact O-N 2.99Å; I365-D368 VanDerWaalsContact O-N 3.07Å; D368-K370 PolarHBondContact O-N 3.25Å
369C80.4Confident66.7Low2 Ų291 Ų911%0.01453%0.53CS..  trans-75.396.6-175.2-178.60000112C356 K358 C359 S367 Y371 T372C356-C369 VanDerWaalsContact SG-CB 3.54Å; K358-C369 HydrophobicContact CB-CB 4.33Å; K358-C369 HydrophobicContact CD-CB 4.07Å; C359-C369 VanDerWaalsContact SG-SG 3.69Å; S367-C369 VanDerWaalsContact C-N 3.25Å; S367-C369 PolarHBondContact O-N 2.99Å; C369-Y371 PolarHBondContact O-N 3.19Å; C369-T372 VanDerWaalsContact O-CB 3.28Å; C369-T372 WeakPolarHBondContact O-CB 3.25Å; C369-T372 VanDerWaalsContact O-CG2 3.23Å; C369-T372 WeakPolarHBondContact O-CG2 3.37Å; C369-T372 PolarHBondContact O-N 2.7Å
370K73.3Confident64.8Low156 Ų15693 Ų9368%0.67855%0.55SS*.THydrogen-bonded Turntrans-55.1-13.6175.864170.3179.8-75.90116.2D368 S373D368-K370 PolarHBondContact O-N 3.25Å; K370-S373 PolarHBondContact O-OG 2.88Å
371Y64.1Low62.7Low144 Ų14496.6 Ų96.657%0.56556%0.56SS**THydrogen-bonded Turntrans-81.5-15173.5-74.9-83.1000113.5C359 C369 S373 T374C359-Y371 HydrophobicContact CB-CD2 4.36Å; C369-Y371 PolarHBondContact O-N 3.19Å; Y371-S373 PolarHBondContact O-N 3.42Å; Y371-S373 VanDerWaalsContact O-N 3.08Å; Y371-T374 PolarHBondContact O-N 2.9Å; Y371-T374 VanDerWaalsContact O-N 3.16Å
372T60.2Low60.6Low82 Ų8299.2 Ų99.250%0.50359%0.587SS.*THydrogen-bonded Turntrans-63.7-16.4-177.2-155.90000113.9K358 C369K358-T372 PolarHBondContact NZ-OG1 3.17Å; C369-T372 VanDerWaalsContact O-CB 3.28Å; C369-T372 WeakPolarHBondContact O-CB 3.25Å; C369-T372 VanDerWaalsContact O-CG2 3.23Å; C369-T372 WeakPolarHBondContact O-CG2 3.37Å; C369-T372 PolarHBondContact O-N 2.7Å
373S55.5Low58.5Low96 Ų96100.6 Ų100.667%0.67161%0.606SS**THydrogen-bonded Turntrans-94.8-14.6179.747.20000114.4K370 Y371K370-S373 PolarHBondContact O-OG 2.88Å; Y371-S373 PolarHBondContact O-N 3.42Å; Y371-S373 VanDerWaalsContact O-N 3.08Å
374T52.8Low56Low107 Ų107108 Ų10866%0.65663%0.632SS**THydrogen-bonded Turntrans-101-23.8-170-45.90000113Y371Y371-T374 PolarHBondContact O-N 2.9Å; Y371-T374 VanDerWaalsContact O-N 3.16Å
375F46Very low54.5Low173 Ų173110.7 Ų110.776%0.75965%0.653SS**SBendtrans-101.316-171.9-139.4-93.3000115.2G377F375-G377 PolarHBondContact O-N 2.98Å; F375-G377 VanDerWaalsContact O-N 3.15Å
376A45.1Very low52.8Low103 Ų103111.7 Ų111.785%0.85167%0.665SS**THydrogen-bonded Turntrans-8019.7176.300000113.7
377G45.9Very low51.6Low63 Ų63116.4 Ų116.465%0.64968%0.684SS**THydrogen-bonded Turntrans-141.415.3-156.200000117.6F375F375-G377 PolarHBondContact O-N 2.98Å; F375-G377 VanDerWaalsContact O-N 3.15Å
378Q42.8Very low50.8Low171 Ų171116 Ų11680%0.79968%0.681SS**SBendtrans-148.3155.6170.7-110.9158.228.200113.5
379R35.8Very low49.9Very low221 Ų221114 Ų11483%0.83468%0.68SS**  trans-59.3152.8-167.6-68.8179.6177.2-179.3-1.8113.5
380A40.7Very low49.1Very low95 Ų95119.6 Ų119.679%0.78571%0.707SS**  cis7350.926.600000116.2
381T33.6Very low48.6Very low133 Ų133116.7 Ų116.782%0.81670%0.699SS**  trans-155144.4154.123.10000107.7
382G33.4Very low49Very low85 Ų85115.4 Ų115.488%0.87670%0.696SS**  trans-109.6166-17700000114.2
383G35.3Very low49.4Very low75 Ų75114.3 Ų114.377%0.77370%0.695SS**  trans151.3125.5170.600000113.6
384E32.1Very low50.2Low191 Ų191117.6 Ų117.689%0.89369%0.693SS**  trans60.5159168.4-81.3-91.285.900119.3
385P47.8Very low51Low98 Ų98118.6 Ų118.664%0.63669%0.692SS**  trans-107.4-167.1179.345.9-36.2000111.9
386P49.9Very low52.4Low109 Ų109113.5 Ų113.571%0.70867%0.673SS**  -82.1125.1-119.735.4-19.9000114.9S388P386-S388 PolarHBondContact O-N 3.08Å
387Q54.9Low54.2Low127 Ų127116.1 Ų116.159%0.59366%0.664SS**  trans-79.432.1178.7-148.1167.3700114.1A389 Q390Q387-A389 PolarHBondContact O-N 2.7Å; Q387-Q390 HydrophobicContact CG-CB 4.28Å; Q387-Q390 HydrophobicContact CG-CG 4.45Å; Q387-Q390 PolarHBondContact O-N 2.91Å
388S60.6Low55.7Low87 Ų87118.8 Ų118.861%0.60866%0.66SS**Hα-helixtrans-61-21.8-16559.20000115.7P386 K392P386-S388 PolarHBondContact O-N 3.08Å; S388-K392 WeakPolarHBondContact O-CB 3.47Å; S388-K392 PolarHBondContact O-N 3.2Å
389A58Low57.3Low75 Ų75117.8 Ų117.862%0.6265%0.65SS**Hα-helixtrans-72.5-35.317500000112.9Q387 A393Q387-A389 PolarHBondContact O-N 2.7Å; A389-A393 WeakPolarHBondContact O-CB 3.26Å; A389-A393 PolarHBondContact O-N 3.05Å
390Q64.3Low59.2Low121 Ų121113 Ų11357%0.56564%0.64SS**Hα-helixtrans-82.9-36.1-173.3-69.4176.6-99.800112.2Q387 A393 R394Q387-Q390 HydrophobicContact CG-CB 4.28Å; Q387-Q390 HydrophobicContact CG-CG 4.45Å; Q387-Q390 PolarHBondContact O-N 2.91Å; Q390-A393 PolarHBondContact O-N 3.45Å; Q390-R394 WeakPolarHBondContact O-CB 3.44Å; Q390-R394 PolarHBondContact O-N 3.21Å
391D62.7Low61.1Low95 Ų95112 Ų11251%0.50863%0.627SS.*Hα-helixtrans-67.1-37.3171.7-67.9-45.3000111.7R394 M395D391-R394 WeakPolarHBondContact O-CB 3.42Å; D391-R394 PolarHBondContact O-N 3.01Å; D391-M395 PolarHBondContact O-N 3.09Å
392K71.4Confident62.8Low116 Ų116110.3 Ų110.350%0.50461%0.613SS.*Hα-helixtrans-63-47.2170.9-164.1-164.8-176.9-56.20111.3S388 R394 M395 D396S388-K392 WeakPolarHBondContact O-CB 3.47Å; S388-K392 PolarHBondContact O-N 3.2Å; K392-R394 PolarHBondContact O-N 3.08Å; K392-M395 PolarHBondContact O-N 3.18Å; K392-D396 IonicContact NZ-OD1 2.78Å; K392-D396 PolarHBondContact NZ-OD1 3.19Å; K392-D396 IonicContact NZ-OD2 3.21Å; K392-D396 PolarHBondContact NZ-OD2 3.19Å; K392-D396 WeakPolarHBondContact O-CB 3.31Å; K392-D396 PolarHBondContact O-N 2.79Å
393A68.4Low64.8Low60 Ų60109.5 Ų109.550%0.49659%0.587SS.*Hα-helixtrans-61.6-27.6177.100000113A389 Q390 K397A389-A393 WeakPolarHBondContact O-CB 3.26Å; A389-A393 PolarHBondContact O-N 3.05Å; Q390-A393 PolarHBondContact O-N 3.45Å; A393-K397 VanDerWaalsContact O-CB 3.27Å; A393-K397 WeakPolarHBondContact O-CB 3Å; A393-K397 PolarHBondContact O-N 3.33Å; A393-K397 VanDerWaalsContact O-N 3.13Å
394R73.3Confident66.7Low165 Ų165109.6 Ų109.662%0.62358%0.581SS**Hα-helixtrans-72.2-50.9174.4-151.9178.6-161.8153.94.4111.6Q390 D391 K392 K397 E398Q390-R394 WeakPolarHBondContact O-CB 3.44Å; Q390-R394 PolarHBondContact O-N 3.21Å; D391-R394 WeakPolarHBondContact O-CB 3.42Å; D391-R394 PolarHBondContact O-N 3.01Å; K392-R394 PolarHBondContact O-N 3.08Å; R394-K397 PolarHBondContact O-N 2.85Å; R394-E398 WeakPolarHBondContact O-CG 3.41Å; R394-E398 PolarHBondContact O-N 2.9Å
395M69.6Low68.6Low127 Ų127108.2 Ų108.263%0.62658%0.575SS**Hα-helixtrans-64.1-40.4175.4-70.6-163.6-62.400112.7D391 K392 K397 E398 Y399D391-M395 PolarHBondContact O-N 3.09Å; K392-M395 PolarHBondContact O-N 3.18Å; M395-K397 VanDerWaalsContact C-N 3.29Å; M395-K397 PolarHBondContact O-N 3.18Å; M395-E398 PolarHBondContact O-N 3.03Å; M395-Y399 VanDerWaalsContact O-CB 3.28Å; M395-Y399 WeakPolarHBondContact O-CB 3.35Å; M395-Y399 PolarHBondContact O-N 3.36Å
396D75.8Confident69.3Low67 Ų67109.6 Ų109.636%0.35858%0.576SS.*Hα-helixtrans-60.9-39.7175.2-70.5-10.4000110.8K392 L400K392-D396 IonicContact NZ-OD1 2.78Å; K392-D396 PolarHBondContact NZ-OD1 3.19Å; K392-D396 IonicContact NZ-OD2 3.21Å; K392-D396 PolarHBondContact NZ-OD2 3.19Å; K392-D396 WeakPolarHBondContact O-CB 3.31Å; K392-D396 PolarHBondContact O-N 2.79Å; D396-L400 VanDerWaalsContact O-CB 3.31Å; D396-L400 WeakPolarHBondContact O-CB 3.5Å; D396-L400 WeakPolarHBondContact O-CD1 3.46Å; D396-L400 VanDerWaalsContact O-CG 3.27Å; D396-L400 WeakPolarHBondContact O-CG 3.26Å; D396-L400 PolarHBondContact O-N 3.05Å
397K81.8Confident69.6Low157 Ų157107.4 Ų107.468%0.68357%0.574SS**Hα-helixtrans-67.1-43.1176-177.4-176.6178-174.60112.2A393 R394 M395 L400 S401A393-K397 VanDerWaalsContact O-CB 3.27Å; A393-K397 WeakPolarHBondContact O-CB 3Å; A393-K397 PolarHBondContact O-N 3.33Å; A393-K397 VanDerWaalsContact O-N 3.13Å; R394-K397 PolarHBondContact O-N 2.85Å; M395-K397 VanDerWaalsContact C-N 3.29Å; M395-K397 PolarHBondContact O-N 3.18Å; K397-L400 PolarHBondContact O-N 3.25Å; K397-S401 WeakPolarHBondContact O-CB 3.26Å; K397-S401 PolarHBondContact O-N 3.26Å
398E77.7Confident69.9Low120 Ų120108.8 Ų108.856%0.56158%0.58SS**Hα-helixtrans-65.8-40.3177.7-72.7164.7-160.300110.9R394 M395 S401 L402R394-E398 WeakPolarHBondContact O-CG 3.41Å; R394-E398 PolarHBondContact O-N 2.9Å; M395-E398 PolarHBondContact O-N 3.03Å; E398-S401 PolarHBondContact O-N 3.38Å; E398-L402 WeakPolarHBondContact O-CB 3.23Å; E398-L402 PolarHBondContact O-N 3.24Å
399Y76Confident68.9Low149 Ų149108.8 Ų108.858%0.58459%0.585SS**Hα-helixtrans-63.7-45.1172.8-177-90.2000112.9M395 S401 L402 M403M395-Y399 VanDerWaalsContact O-CB 3.28Å; M395-Y399 WeakPolarHBondContact O-CB 3.35Å; M395-Y399 PolarHBondContact O-N 3.36Å; Y399-S401 VanDerWaalsContact C-N 3.34Å; Y399-S401 PolarHBondContact O-N 3.32Å; Y399-L402 PolarHBondContact O-N 3.06Å; Y399-M403 HydrophobicContact CD1-CG 4.3Å; Y399-M403 HydrophobicContact CE1-CG 3.84Å; Y399-M403 HydrophobicContact CE1-SD 3.93Å; Y399-M403 PolarHBondContact O-N 2.92Å
400L77Confident68.3Low120 Ų120111 Ų11163%0.62859%0.594SS**Hα-helixtrans-64.6-37.4176.4-79.6164.4000112.3D396 K397 A404D396-L400 VanDerWaalsContact O-CB 3.31Å; D396-L400 WeakPolarHBondContact O-CB 3.5Å; D396-L400 WeakPolarHBondContact O-CD1 3.46Å; D396-L400 VanDerWaalsContact O-CG 3.27Å; D396-L400 WeakPolarHBondContact O-CG 3.26Å; D396-L400 PolarHBondContact O-N 3.05Å; K397-L400 PolarHBondContact O-N 3.25Å; L400-A404 WeakPolarHBondContact O-CB 3.27Å; L400-A404 PolarHBondContact O-N 3.5Å
401S78.8Confident67.3Low74 Ų74111.5 Ų111.552%0.51760%0.604SS.*Hα-helixtrans-66.4-41.7174.7-158.40000111.5K397 E398 Y399 A404 E405K397-S401 WeakPolarHBondContact O-CB 3.26Å; K397-S401 PolarHBondContact O-N 3.26Å; E398-S401 PolarHBondContact O-N 3.38Å; Y399-S401 VanDerWaalsContact C-N 3.34Å; Y399-S401 PolarHBondContact O-N 3.32Å; S401-A404 PolarHBondContact O-N 2.81Å; S401-E405 WeakPolarHBondContact O-CB 3.45Å; S401-E405 PolarHBondContact O-N 3.36Å
402L70.1Confident66.2Low98 Ų98113 Ų11351%0.51362%0.62SS.*Hα-helixtrans-64.4-40.9177-172.270000112.2E398 Y399 A404 E405 L406E398-L402 WeakPolarHBondContact O-CB 3.23Å; E398-L402 PolarHBondContact O-N 3.24Å; Y399-L402 PolarHBondContact O-N 3.06Å; L402-A404 VanDerWaalsContact C-N 3.34Å; L402-E405 PolarHBondContact O-N 3.48Å; L402-L406 HydrophobicContact CG-CD1 4.22Å; L402-L406 WeakPolarHBondContact O-CB 3.44Å; L402-L406 WeakPolarHBondContact O-CG 3.32Å; L402-L406 PolarHBondContact O-N 3.33Å; L402-L406 VanDerWaalsContact O-N 3.08Å
403M76.1Confident64.3Low68 Ų68113.4 Ų113.434%0.33564%0.636SS.*Hα-helixtrans-66.5-33.3174.1-76.1-127.76600113Y399 G407 E408Y399-M403 HydrophobicContact CD1-CG 4.3Å; Y399-M403 HydrophobicContact CE1-CG 3.84Å; Y399-M403 HydrophobicContact CE1-SD 3.93Å; Y399-M403 PolarHBondContact O-N 2.92Å; M403-G407 PolarHBondContact O-N 3.5Å; M403-E408 WeakPolarHBondContact CE-O 3.34Å
404A74.6Confident62.7Low78 Ų78115.8 Ų115.865%0.64565%0.65SS**Hα-helixtrans-71.7-37.7174.600000112.5L400 S401 L402 G407L400-A404 WeakPolarHBondContact O-CB 3.27Å; L400-A404 PolarHBondContact O-N 3.5Å; S401-A404 PolarHBondContact O-N 2.81Å; L402-A404 VanDerWaalsContact C-N 3.34Å; A404-G407 PolarHBondContact O-N 2.79Å
405E71.4Confident60.5Low162 Ų162111.6 Ų111.676%0.75766%0.658SS**Hα-helixtrans-73.8-26.3179.5-166.7166.8-176.500112.8S401 L402S401-E405 WeakPolarHBondContact O-CB 3.45Å; S401-E405 PolarHBondContact O-N 3.36Å; L402-E405 PolarHBondContact O-N 3.48Å
406L63.6Low58.5Low126 Ų126109.7 Ų109.766%0.6667%0.671SS**THydrogen-bonded Turntrans-84.2-2172.1-71.8169.1000114.3L402 E408L402-L406 HydrophobicContact CG-CD1 4.22Å; L402-L406 WeakPolarHBondContact O-CB 3.44Å; L402-L406 WeakPolarHBondContact O-CG 3.32Å; L402-L406 PolarHBondContact O-N 3.33Å; L402-L406 VanDerWaalsContact O-N 3.08Å; L406-E408 PolarHBondContact O-N 3.11Å
407G55.4Low56.1Low64 Ų64109.7 Ų109.766%0.6669%0.686SS**  trans74.2-12169.300000117.4M403 A404 A409M403-G407 PolarHBondContact O-N 3.5Å; A404-G407 PolarHBondContact O-N 2.79Å; G407-A409 PolarHBondContact O-N 3.47Å
408E60.4Low53.7Low155 Ų155110.9 Ų110.972%0.72469%0.694SS**  trans-9176.4-177.7-67.2-165.9161.500113.1M403 L406 P410M403-E408 WeakPolarHBondContact CE-O 3.34Å; L406-E408 PolarHBondContact O-N 3.11Å; E408-P410 WeakPolarHBondContact O-CD 3.45Å
409A40.8Very low51.3Low87 Ų87110.2 Ų110.272%0.71970%0.702SS**PPolyproline II helixtrans-79.2121.9162.900000110.3G407 V411G407-A409 PolarHBondContact O-N 3.47Å; A409-V411 PolarHBondContact O-N 3.31Å
410P44.6Very low49.1Very low123 Ų123109 Ų10980%0.79972%0.715SS**PPolyproline II helixtrans-71.2117.3-176.6-19.732.8000113E408E408-P410 WeakPolarHBondContact O-CD 3.45Å
411V44.7Very low46.6Very low130 Ų130108.5 Ų108.579%0.78872%0.723SS**PPolyproline II helixtrans-79.9138.9157.6-68.20000109.5A409A409-V411 PolarHBondContact O-N 3.31Å
412P38.9Very low45.3Very low128 Ų128110.7 Ų110.783%0.83174%0.735SS**PPolyproline II helixtrans-67.1144.7179.227.2-33.8000111.7
413S31.8Very low43.3Very low123 Ų123111 Ų11186%0.8675%0.752SS**PPolyproline II helixtrans-79.4164.9-166.2-159.60000114.9
414S34.8Very low41Very low111 Ų111111.4 Ų111.478%0.77677%0.773SS**PPolyproline II helixtrans-86.3149.7-155.6-45.50000116.5
415G27.6Very low39.1Very low77 Ų77112 Ų11279%0.79478%0.778SS**PPolyproline II helixtrans-78.8146.9145.700000110.5
416G27.6Very low37.9Very low87 Ų87110.2 Ų110.290%0.89778%0.78SS**PPolyproline II helixtrans-79.9158.8-167.500000116.4
417G25.3Very low36.4Very low66 Ų66115.7 Ų115.768%0.6879%0.792SS**  trans-169.887.117700000114.9
418H29.9Very low35.1Very low183 Ų183117.3 Ų117.385%0.84780%0.799SS**  trans56.5114.2154.2-57.3-69.2000122.7
419S28.6Very low33.8Very low105 Ų105115.5 Ų115.573%0.73480%0.804SS**  54.2109.5120.8-49.80000121.9
420S28.2Very low33.4Very low123 Ų123114.9 Ų114.986%0.8681%0.806SS**  173.4163.2109.349.70000113.3
421S25.8Very low33.5Very low111 Ų111115.4 Ų115.478%0.77681%0.809SS**  trans-112.1-175.5173-40.60000109
422P51.6Low33Very low119 Ų119115.8 Ų115.877%0.77381%0.807SS**  cis-138.4-164.8-3.342.8-23.9000114.8
423A27.6Very low32.7Very low105 Ų105115 Ų11587%0.86880%0.804SS**  trans75152.4160.500000118.3
424G28.6Very low32.7Very low77 Ų77116.1 Ų116.179%0.79480%0.801SS**  cis-160.6177.42.400000114.8
425A33.2Very low32.8Very low90 Ų90118.7 Ų118.774%0.74480%0.801SS**  trans-96.4168.6178.100000112.1
426P46.2Very low33.6Very low124 Ų124120.8 Ų120.881%0.80580%0.8SS**  -127.4160.178.59.513.7000113.1
427R32.4Very low34.5Very low241 Ų241121.8 Ų121.891%0.90979%0.791SS**  cis83.7100.837.3-90.3-168167.1-150.6-1.6117
428A29.1Very low35.7Very low98 Ų98124.7 Ų124.781%0.8180%0.798SS**  trans172.5156.1144.200000109.5
429S31.8Very low36.2Very low118 Ų118123.9 Ų123.983%0.82580%0.8SS**  cis-164.2160.5-26.9-85.90000108.5
430G32.9Very low36.8Very low73 Ų73129.9 Ų129.975%0.75381%0.806SS**  trans-87.8-162.5175.800000114.4
431P47.8Very low37.4Very low134 Ų134129.2 Ų129.287%0.8780%0.799SS**  cis-141.9-178.913.743.3-23.8000118.7
432N33.3Very low38.1Very low139 Ų139130 Ų13074%0.74380%0.801SS**  trans-30.2143.1170.4-179.832.9000121.8
433S32Very low37.6Very low110 Ų110135.3 Ų135.377%0.76981%0.806SS**  trans-173.6121.4133.3-81.10000116.9
434N32.9Very low38.1Very low147 Ų147138 Ų13879%0.78680%0.803SS**  trans41.8120.7149.6-71.4-10.5000126.1
435Q36.3Very low38.3Very low166 Ų166140.6 Ų140.678%0.77681%0.809SS**  trans49140.5134.5-80.1-138.323.700122.9
436P44Very low38.4Very low121 Ų121142.1 Ų142.179%0.78681%0.814SS**  -141.9-176.472.236.3-15.7000115.8
437P46.8Very low37.8Very low107 Ų107140 Ų14070%0.69581%0.814SS**  trans-107.3-153.2-16447.1-39.5000114.1
438P51.5Low38.8Very low128 Ų128134.3 Ų134.383%0.83181%0.809SS**  -110.8162-122.9195.9000115.7
439N39.1Very low38.8Very low165 Ų165134.6 Ų134.688%0.88280%0.804SS**  trans-104144.5-172.6-158.9-10.2000113.4
440R42.6Very low38.7Very low232 Ų232137.5 Ų137.588%0.87581%0.805SS**  trans-146.7114.8-175.6-144.7-168.6-158.4-148.69111.5
441P40.1Very low38.6Very low108 Ų108140.9 Ų140.970%0.70181%0.806SS**  trans-107.2175179.943.8-36.7000111.8
442P39.6Very low37.6Very low127 Ų127145.9 Ų145.983%0.82581%0.807SS**SBend-139.296.6-87.532.6-9.6000113.3
443W41.3Very low37.4Very low232 Ų232145.9 Ų145.988%0.87981%0.807SS**SBendtrans-143.514171.382.2-74.5000115.8
444M38.1Very low37.3Very low162 Ų162150.2 Ų150.280%0.79881%0.808SS**  trans-134.699.9175.2-79-175.2152.600111.6
445S33.2Very low37.9Very low131 Ų131149.4 Ų149.492%0.91681%0.811SS**  trans-154.5148.3161.8-80.10000107.8
446S35.6Very low37.7Very low122 Ų122144.3 Ų144.385%0.85380%0.803SS**  trans-138.7115.5-157.854.80000116.5
447G32.7Very low37.1Very low79 Ų79148.2 Ų148.281%0.81481%0.813SS**  trans68-176.7164.400000117
448P54.3Low36.2Very low122 Ų122146.5 Ų146.579%0.79282%0.815SS**  cis-134.8-158.6-16.341.8-24.3000113.7
449S29.2Very low35Very low103 Ų103144.1 Ų144.172%0.7281%0.814SS**  trans86.2117155.770.70000123.8
450E29.5Very low35.5Very low180 Ų180141.9 Ų141.984%0.84181%0.808SS**  44.9111.6126.3-61.5-174.19000126.5
451N30.3Very low34.8Very low143 Ų143137.8 Ų137.877%0.76581%0.809SS**  59.7104.9114.1-169.218.9000123.6
452R28.2Very low34.3Very low239 Ų239135.9 Ų135.990%0.90281%0.809SS**  trans174.7164.3139.8-102171.7162.2121.2-4.2109.8
453N27.3Very low34.6Very low139 Ų139136.3 Ų136.374%0.74381%0.812SS**  cis-168.2163-39.7178.247000109.1
454Y30.8Very low34Very low202 Ų202129.3 Ų129.379%0.79281%0.812SS**  trans-53159.5176.6-96.2-84.4000116.2
455P46.2Very low33.6Very low130 Ų130125 Ų12584%0.84481%0.809SS**  -138.217659.838.6-20.7000116.4
456G30.6Very low34.4Very low59 Ų59124.6 Ų124.661%0.60880%0.804SS**  cis136.8107.2-1300000116.5
457M31.8Very low34.3Very low202 Ų202126.6 Ų126.6100%0.99580%0.799SS**  trans-178.4151.6159.6-101.9179.98700110.3
458G29Very low34.2Very low71 Ų71127.8 Ų127.873%0.73280%0.795SS**  cis177.630.4-0.800000121.2
459G26.6Very low33.1Very low79 Ų79131.8 Ų131.881%0.81480%0.8SS**  trans71.5-165.9165.900000118.1
460P48.1Very low34.3Very low117 Ų117132.4 Ų132.476%0.7680%0.802SS**  cis-137.4170.5-6.741.4-24.5000117.8
461T29.5Very low34.9Very low147 Ų147129.3 Ų129.390%0.90280%0.797SS**  trans63.9164.8167.941.90000118.2
462G29.7Very low36.1Very low67 Ų67128 Ų12869%0.69180%0.797SS**  cis133.7165.4-2.800000112.5
463P45.6Very low36.7Very low136 Ų136125.4 Ų125.488%0.88380%0.797SS**  cis-135.3178-7.343.6-27.1000116.1
464G27.3Very low37.3Very low85 Ų85125.3 Ų125.388%0.87680%0.804SS**  trans88.1133.1159.700000118.2
465G30.2Very low37.7Very low73 Ų73122.7 Ų122.775%0.75380%0.804SS**  cis152.2165.4-7.200000111.6
466P49.4Very low37.1Very low122 Ų122125.4 Ų125.479%0.79281%0.807SS**  cis-137.5156.2-12.241-23.2000117.4
467Q33.4Very low37.1Very low164 Ų164126.1 Ų126.177%0.76682%0.815SS**  trans52.1113.4138.8-58.2-65.3-9.200125.4
468S30.3Very low37.1Very low103 Ų103119.7 Ų119.772%0.7280%0.801SS**  67.6141.4118.1-58.60000126.1
469F32.6Very low37.8Very low207 Ų207122.6 Ų122.691%0.90881%0.806SS**  trans-85.6173.4167.1-83.6-99.1000112.2
470P54.5Low38.7Very low115 Ų115124.8 Ų124.875%0.74781%0.806SS**  cis-120.1-140.66.139.6-19000110.7
471P40.9Very low38.6Very low116 Ų116127.5 Ų127.575%0.75381%0.811SS**  cis-127.8-169.3-9.844.4-25.3000114.8
472P55.6Low39.6Very low116 Ų116126 Ų12675%0.75380%0.804SS**  trans-105.1149.5-16738.4-33.1000118.7
473M40.8Very low40.2Very low184 Ų184128.7 Ų128.791%0.90681%0.809SS**  trans64.4137.3164-66.9-155.2-66.700118.7
474P40.3Very low39.8Very low136 Ų136128.4 Ų128.488%0.88380%0.8SS**  -144.1-172.285.141.1-24.6000115.8
475N40Very low40.7Very low148 Ų148130.1 Ų130.179%0.79180%0.796SS**  trans-112.1136.1-176.1151.480.7000112.9
476M32.6Very low41.7Very low186 Ų186133.5 Ų133.592%0.91680%0.796SS**  trans-179.8150.7152-102.1172.183.600108.8
477G31.3Very low41.4Very low75 Ų75131 Ų13177%0.77379%0.793SS**  cis179154.7-7.300000111.7
478G31.7Very low42.3Very low67 Ų67132 Ų13269%0.69180%0.799SS**  trans-144.8155.3173.500000110.3
479P43.4Very low43.3Very low131 Ų131131.9 Ų131.985%0.85180%0.796SS**  trans-72.5147.7-164.528-35.2000113.8
480P45.9Very low44.4Very low126 Ų126125.2 Ų125.282%0.81877%0.774SS**  trans-85.6149.2-174.934.1-35.8000113.9
481M45.3Very low44.1Very low173 Ų173125.3 Ų125.385%0.85278%0.775SS**  trans-109.8143.9156.8-76.1-91-78.300108.2
482P50.6Low44.5Very low116 Ų116129.8 Ų129.875%0.75378%0.777SS**PPolyproline II helixtrans-73.8146.3-172.929.5-35.3000112.9
483P41.9Very low44.4Very low124 Ų124131.1 Ų131.181%0.80577%0.774SS**PPolyproline II helixtrans-75.1137.8174.930.9-34000111.8
484N38.3Very low44.9Very low130 Ų130129.7 Ų129.770%0.69577%0.766SS**PPolyproline II helixtrans-77.6126.1169.9176.912.6000110N486N484-N486 VanDerWaalsContact C-N 3.28Å; N484-N486 PolarHBondContact O-N 3.15Å; N484-N486 PolarHBondContact OD1-N 3.45Å
485P46.2Very low45.2Very low120 Ų120128.3 Ų128.378%0.77976%0.756SS**SBendtrans-64.8-20.9-177.3-24.935.4000116.3
486N49.9Very low45.7Very low144 Ų144127 Ų12777%0.7776%0.756SS**  trans-109.677.8-168.3-7939.9000113.2N484N484-N486 VanDerWaalsContact C-N 3.28Å; N484-N486 PolarHBondContact O-N 3.15Å; N484-N486 PolarHBondContact OD1-N 3.45Å
487G43.3Very low46.5Very low69 Ų69123.8 Ų123.871%0.71175%0.749SS**  trans-140.3122.6172.100000112.5
488M52.5Low47.3Very low185 Ų185125.9 Ų125.991%0.91175%0.749SS**PPolyproline II helixtrans-79142.4178.4-66.2169.764.800111.6
489P51.7Low48.2Very low101 Ų101129 Ų12966%0.65676%0.757SS**PPolyproline II helixtrans-72153.9175.730.5-35.1000112.2
490P55.7Low48.1Very low67 Ų67132.1 Ų132.144%0.43576%0.763SS.*PPolyproline II helixtrans-75.2162.9-174.432.1-37000113.6W492P490-W492 VanDerWaalsContact C-N 3.26Å; P490-W492 HydrophobicContact CG-CZ2 4.03Å; P490-W492 PolarHBondContact O-N 2.97Å
491P47.4Very low47.6Very low117 Ų117129.6 Ų129.676%0.7676%0.76SS**G310 helixtrans-70.6-4.6-156.7-23.735.7000117.9
492W50.6Low47.2Very low210 Ų210131.1 Ų131.180%0.79577%0.765SS**G310 helixtrans-94.912-168.537.4-80.3000114.6P490P490-W492 VanDerWaalsContact C-N 3.26Å; P490-W492 HydrophobicContact CG-CZ2 4.03Å; P490-W492 PolarHBondContact O-N 2.97Å
493M52.3Low46.3Very low144 Ų144129.1 Ų129.171%0.70977%0.765SS**G310 helixtrans-12222.8177.3-65.6176.966.200113.4
494Q51.3Low46.3Very low155 Ų155129.5 Ų129.572%0.72477%0.768SS**PPolyproline II helixtrans-102124.7177.2-71.5-76-17.600111
495P48.1Very low46.2Very low106 Ų106127.5 Ų127.569%0.68877%0.769SS**PPolyproline II helixtrans-78.7156.7173.932.7-34.3000112.3
496P49.8Very low46.2Very low121 Ų121127.1 Ų127.179%0.78677%0.767SS**PPolyproline II helixtrans-76.5151-178.131.4-35.7000113.3
497P48.5Very low45.5Very low119 Ų119129.4 Ų129.477%0.77377%0.772SS**PPolyproline II helixtrans-81.2154.5-179.733.2-35.9000113.6
498P49.4Very low44.9Very low119 Ų119129.6 Ų129.677%0.77377%0.774SS**PPolyproline II helixtrans-80.8161.4176.434.1-36.1000113.3
499P50.1Low44.1Very low132 Ų132129.9 Ų129.986%0.85777%0.773SS**PPolyproline II helixtrans-76.8149.8177.932.6-35.8000112.6
500M41.2Very low43.9Very low196 Ų196130.8 Ų130.897%0.96678%0.779SS**  trans-104.9133.2-177.1-142.8172.4-16200112.4
501G35Very low42.9Very low73 Ų73136.5 Ų136.575%0.75380%0.802SS**  trans-86.8-176177.600000114.5
502Q37.3Very low42.2Very low205 Ų205134.2 Ų134.296%0.95880%0.799SS**  trans-96.7128.2-166.7-60.6177.93.300115.1
503G31.1Very low41.5Very low74 Ų74132.6 Ų132.676%0.76381%0.806SS**  trans69.2179.4152.300000118.8
504P43Very low41Very low133 Ų133133.7 Ų133.786%0.86481%0.813SS**  cis-117.3-176.8-12.840.1-26.8000113.4
505A35.3Very low40.6Very low88 Ų88131.7 Ų131.773%0.72781%0.814SS**  trans-88.4168.917900000113.8
506P47.3Very low40.6Very low112 Ų112132.2 Ų132.273%0.72782%0.817SS**  -148.7142102.336.5-19.6000118.3
507H34.7Very low40.8Very low191 Ų191132.4 Ų132.488%0.88482%0.819SS**  trans37.9127.6139.2-53.897.6000123.7
508G30.6Very low40.3Very low73 Ų73135.5 Ų135.575%0.75383%0.825SS**  trans177102.2158.500000115.3
509H36.4Very low39.9Very low192 Ų192135.4 Ų135.489%0.88983%0.827SS**  trans-130.8148.9169.8-67-50.2000108.7
510P47.5Very low39.5Very low119 Ų119137.2 Ų137.277%0.77383%0.828SS**  -148.4174.683.639.3-21.1000116
511M34.6Very low39.5Very low188 Ų188136 Ų13693%0.92682%0.822SS**  trans28.6136.1159.4-56.7-59.4-163.500120.8
512G32.9Very low40.3Very low68 Ų68137.8 Ų137.870%0.70182%0.82SS**  cis122.11155.700000112.6
513L35.6Very low40.9Very low177 Ų177133.7 Ų133.793%0.92781%0.811SS**  trans-169.7154.2166.7-107.1168.4000110.3
514L42.3Very low41.8Very low166 Ų166135.7 Ų135.787%0.86981%0.811SS**  trans-117138.8-176.7-78165.4000112.6
515P41.3Very low42.3Very low114 Ų114135 Ų13574%0.7481%0.806SS**  trans-111.4164.1155.8-2.824.8000114
516P49.4Very low43.1Very low116 Ų116136.3 Ų136.375%0.75381%0.807SS**  trans-89.6172.3-169.536.7-37.4000115.1
517P52.3Low43.3Very low126 Ų126136.7 Ų136.782%0.81881%0.81SS**  trans-78.2151.3-173.331.8-37000114.4
518M40Very low43.8Very low184 Ų184133.8 Ų133.891%0.90681%0.808SS**  trans-107.3141.8179.5-70.3-71.3-79.300112.4
519S39.1Very low44.4Very low116 Ų116134 Ų13481%0.81181%0.81SS**  trans-76.7158.6-172-53.70000114.6
520I42.5Very low44.3Very low170 Ų170132.9 Ų132.987%0.87281%0.81SS**  trans-62.6135.6174.3-64.6164.7000110.9
521M40.4Very low44.1Very low172 Ų172136.1 Ų136.185%0.84782%0.815SS**  trans-117129.8169.4-168.7165.269.600109.5
522P52.5Low44.6Very low110 Ų110132.5 Ų132.571%0.71481%0.806SS**PPolyproline II helixtrans-78.2153.4-17631.5-35.4000112.8
523P50.1Low45.4Very low118 Ų118134.7 Ų134.777%0.76681%0.808SS**PPolyproline II helixtrans-73.9155.8175.431.7-35.5000112.6
524P50.1Low46.1Very low117 Ų117132 Ų13276%0.7680%0.801SS**PPolyproline II helixtrans-74.2157.7-179.331.1-36.2000113.5
525P53.6Low46.8Very low117 Ų117129.6 Ų129.676%0.7680%0.795SS**PPolyproline II helixtrans-75.7157.2179.432-36.2000113.4
526P52.5Low47.1Very low116 Ų116130.1 Ų130.175%0.75380%0.799SS**PPolyproline II helixtrans-78.1155.6179.732.6-36.1000113.5
527P50.6Low47.1Very low121 Ų121130.6 Ų130.679%0.78681%0.805SS**PPolyproline II helixtrans-74.7155.3176.232-35.9000112.8
528P45.4Very low46.8Very low130 Ų130128.9 Ų128.984%0.84480%0.801SS**PPolyproline II helixtrans-82.3136-175.532.2-34.9000114
529G42.4Very low47.3Very low77 Ų77126.3 Ų126.379%0.79480%0.798SS**  trans44.4105.3144.400000120.3
530N35.6Very low47.8Very low168 Ų168127.4 Ų127.490%0.89879%0.794SS**  trans-138.5123.1149.2-122.6-5.1000108.8
531Q43.8Very low48.3Very low187 Ų187123.1 Ų123.187%0.87478%0.777SS**PPolyproline II helixtrans-85.2137.9177.9-73-174.6-12.700110.8
532P43.4Very low48.3Very low113 Ų113121.4 Ų121.473%0.73478%0.779SS**PPolyproline II helixtrans-73.8148.9164.632.2-33.5000110.6
533P50.5Low48Very low114 Ų114126.3 Ų126.374%0.7478%0.784SS**PPolyproline II helixtrans-69.5158.317530.4-35.6000112
534P49.3Very low48Very low119 Ų119127.2 Ų127.277%0.77378%0.778SS**PPolyproline II helixtrans-66.1148.9175.328.8-35.2000111.9
535P57.5Low47.5Very low116 Ų116130.4 Ų130.475%0.75378%0.782SS**PPolyproline II helixtrans-72.8153.2179.631-35.8000112.4
536P47.2Very low47Very low126 Ų126134.1 Ų134.182%0.81879%0.79SS**PPolyproline II helixtrans-71.2144174.930.4-35000112A538P536-A538 PolarHBondContact O-N 2.94Å
537S49.7Very low46.4Very low126 Ų126133 Ų13388%0.88179%0.79SS**PPolyproline II helixtrans-66.5125.3179.7-55.40000112.7
538A47.1Very low46Very low90 Ų90132.9 Ų132.974%0.74479%0.789SS**PPolyproline II helixtrans-77.1153.717000000111.7P536P536-A538 PolarHBondContact O-N 2.94Å
539P49.4Very low46.3Very low130 Ų130132.4 Ų132.484%0.84479%0.786SS**PPolyproline II helixtrans-73.6157.5-172.829.4-36000114.4
540L50.6Low47Very low139 Ų139134.4 Ų134.473%0.72879%0.785SS**PPolyproline II helixtrans-73.2148.5-178.1-69168.9000113.2
541P52.8Low47.3Very low79 Ų79132 Ų13251%0.51378%0.778SS.*PPolyproline II helixtrans-67.1150.3172.6-20.833.9000113.7W543P541-W543 VanDerWaalsContact C-N 3.25Å; P541-W543 PolarHBondContact O-N 3.43Å
542P41Very low47.1Very low136 Ų136129.2 Ų129.288%0.88378%0.777SS**THydrogen-bonded Turntrans-82.528.7-165.935.1-39.2000115.6
543W44.8Very low47.2Very low214 Ų214130.3 Ų130.381%0.81178%0.782SS**THydrogen-bonded Turntrans-106.60.9177.462.8-91.4000114P541P541-W543 VanDerWaalsContact C-N 3.25Å; P541-W543 PolarHBondContact O-N 3.43Å
544Q49.6Very low46.4Very low137 Ų137130.3 Ų130.364%0.6478%0.784SS**  trans-109.366.8-178.7-167.6172.1-118.200111.4
545Q41.5Very low45.7Very low184 Ų184129 Ų12986%0.8678%0.778SS**  trans-114.5144.2161.3-69.3-16913.900109.4
546Q41.6Very low44.4Very low195 Ų195132.3 Ų132.391%0.91179%0.786SS**PPolyproline II helixtrans-81.7137.4-172.6-64171.1-2.900111.1
547A40.2Very low43.6Very low92 Ų92130.4 Ų130.476%0.7678%0.781SS**PPolyproline II helixtrans-82.7143.7167.500000110.5
548P43.4Very low42.6Very low119 Ų119130.9 Ų130.977%0.77378%0.779SS**PPolyproline II helixtrans-70.6154.7175.930.1-35.1000112
549P50.8Low41.9Very low119 Ų119131 Ų13177%0.77377%0.774SS**PPolyproline II helixtrans-76.4151.3-176.631.5-36000113.2
550P56.1Low41.2Very low119 Ų119131.3 Ų131.377%0.77377%0.773SS**PPolyproline II helixtrans-78152.1173.832.7-35.1000112.6
551P42.6Very low41.7Very low117 Ų117129.7 Ų129.776%0.7677%0.771SS**PPolyproline II helixtrans-73.3159173.331.5-35.3000112.7
552P40Very low40.8Very low130 Ų130133.2 Ų133.284%0.84479%0.785SS**PPolyproline II helixtrans-79.8155.2-170.932.4-36.9000114.5
553T45.8Very low41.3Very low136 Ų136132 Ų13283%0.83478%0.777SS**PPolyproline II helixtrans-86.7148.8177.851.50000113.8
554S33.8Very low40.8Very low114 Ų114131.3 Ų131.380%0.79777%0.774SS**  trans-157.7145.5163.2-72.70000108.6
555S33.4Very low40Very low92 Ų92131.7 Ų131.764%0.64378%0.776SS**  cis-166.7172.1-9.2-92.20000108.6
556M31.3Very low39.6Very low184 Ų184128.9 Ų128.991%0.90676%0.763SS**  trans71.3122.4169.1-40.6-174.9-167.400114.9
557A30.7Very low39.1Very low87 Ų87126 Ų12672%0.71975%0.754SS**  cis90.7134.718.600000116.6
558T28.8Very low38.5Very low136 Ų136127 Ų12783%0.83475%0.751SS**  trans69.8148.61718.30000115.5
559S30.9Very low37.9Very low93 Ų93126.9 Ų126.965%0.6575%0.748SS**  cis-157.5139.73.8-13.40000113
560T35Very low36.8Very low135 Ų135127 Ų12783%0.82875%0.747SS**  trans51165.6135.727.50000122.6
561P61.2Low35.5Very low105 Ų105127.9 Ų127.968%0.68275%0.75SS**  trans-137.2-135.4-140.937-10.9000115.1
562L33.3Very low34.9Very low154 Ų154127.5 Ų127.581%0.80675%0.75SS**  trans89.2158.4175.1-82.379.8000117.3
563P53.4Low34.6Very low109 Ų109126.6 Ų126.671%0.70875%0.747SS**  cis-145.4-160.4-37.742-23.9000114.4
564W33.3Very low34.6Very low201 Ų201126.5 Ų126.576%0.76175%0.748SS**  trans83.1108.6156.7149.8-72.8000116.8
565Q33.3Very low34.3Very low145 Ų145124.7 Ų124.768%0.67875%0.748SS**  80.7140.272.9-67.3-128.233.800111.6
566Q33.4Very low34.4Very low125 Ų125126.2 Ų126.258%0.58476%0.759SS**  cis-162.4145.726.7-159.4165.289.600112.7
567N30.9Very low34.4Very low134 Ų134122.8 Ų122.872%0.71775%0.753SS**  trans57154151.5-77.2-6.2000121.9
568T27.3Very low34.8Very low114 Ų114124 Ų12470%0.69976%0.756SS**  cis-154.9144.25.7-1.70000113.9
569T30.5Very low35.9Very low115 Ų115123.2 Ų123.271%0.70675%0.746SS**  trans75132.2139.5-410000124.3
570T27.2Very low36.8Very low122 Ų122119.5 Ų119.575%0.74872%0.72SS**  trans94.5118.7149.921.10000124.2
571T29.1Very low37.1Very low137 Ų137118.2 Ų118.284%0.8471%0.714SS**  trans82.1144.8146.3-48.10000117.9
572S29.4Very low36.7Very low109 Ų109117.3 Ų117.376%0.76270%0.697SS**  trans-130.5138-147.954.20000116
573S33.9Very low37.6Very low111 Ų111113.8 Ų113.878%0.77668%0.676SS**  trans-45.2171.8150.7-53.20000113.6
574P45.7Very low37.2Very low134 Ų134115.3 Ų115.387%0.8767%0.674SS**  cis-142.217620.842.9-23.8000118.1
575G28.9Very low37.6Very low77 Ų77110.9 Ų110.979%0.79467%0.671SS**  trans179.974.1170.500000113
576S34Very low37.8Very low123 Ų123113.5 Ų113.586%0.8668%0.683SS**  trans-85.4123.1178.3-173.60000111.5
577S32.7Very low37.8Very low113 Ų113115.4 Ų115.479%0.7969%0.692SS**  trans-94.1103.8173.940.50000111.1
578S39.5Very low38.1Very low112 Ų112114 Ų11478%0.78369%0.69SS**PPolyproline II helixtrans-78.7121.8175.3500000111.8
579L50.8Low38.2Very low120 Ų120113.7 Ų113.763%0.62870%0.699SS**PPolyproline II helixtrans-74.1145.3168.7-71.3173.1000111.1
580P49.5Very low38.4Very low14 Ų14114.6 Ų114.69%0.09170%0.704CS.*PPolyproline II helixtrans-72.1150.5-179.629.7-34.8000112.5W582 Q583P580-W582 HydrophobicContact CB-CD2 4.02Å; P580-W582 HydrophobicContact CB-CE3 3.76Å; P580-W582 HydrophobicContact CB-CH2 3.52Å; P580-W582 HydrophobicContact CB-CZ2 3.77Å; P580-W582 HydrophobicContact CB-CZ3 3.51Å; P580-W582 HydrophobicContact CG-CD2 4.27Å; P580-W582 HydrophobicContact CG-CE3 4.46Å; P580-W582 HydrophobicContact CG-CH2 3.85Å; P580-W582 HydrophobicContact CG-CZ2 3.58Å; P580-W582 HydrophobicContact CG-CZ3 4.29Å; P580-W582 PolarHBondContact O-N 3.05Å; P580-W582 VanDerWaalsContact O-N 3.08Å; P580-Q583 HydrophobicContact CG-CG 4.28Å; P580-Q583 PolarHBondContact O-N 3.12Å; P580-Q583 VanDerWaalsContact O-N 3.11Å
581P42.6Very low38.6Very low108 Ų108114.9 Ų114.970%0.70171%0.712SS**G310 helixtrans-67-16.9-166.825.2-35.1000115.3Q583P581-Q583 VanDerWaalsContact C-N 3.32Å
582W51.1Low38.7Very low86 Ų86113.4 Ų113.433%0.32671%0.713SS.*G310 helixtrans-81.6-7.1177.17182.2000114P118 Y129 P580P118-W582 HydrophobicContact CG-CH2 3.62Å; P118-W582 HydrophobicContact CG-CZ3 3.86Å; Y129-W582 AromaticContact CD2-CE2 3.73Å; Y129-W582 AromaticContact CD2-CH2 3.57Å; Y129-W582 HydrophobicContact CD2-CH2 3.57Å; Y129-W582 AromaticContact CD2-CZ2 3.21Å; Y129-W582 HydrophobicContact CD2-CZ2 3.21Å; Y129-W582 HydrophobicContact CD2-CZ3 4.37Å; Y129-W582 HydrophobicContact CE1-CH2 4.49Å; Y129-W582 HydrophobicContact CE2-CD2 4.13Å; Y129-W582 AromaticContact CE2-CE2 3.73Å; Y129-W582 HydrophobicContact CE2-CE3 4.05Å; Y129-W582 AromaticContact CE2-CH2 3.22Å; Y129-W582 HydrophobicContact CE2-CH2 3.22Å; Y129-W582 AromaticContact CE2-CZ2 3.31Å; Y129-W582 HydrophobicContact CE2-CZ2 3.31Å; Y129-W582 AromaticContact CE2-CZ3 3.61Å; Y129-W582 HydrophobicContact CE2-CZ3 3.61Å; Y129-W582 HydrophobicContact CG-CH2 4.32Å; Y129-W582 HydrophobicContact CG-CZ2 4.08Å; Y129-W582 AromaticContact CZ-CH2 3.73Å; Y129-W582 AromaticContact CZ-CZ3 4Å; P580-W582 HydrophobicContact CB-CD2 4.02Å; P580-W582 HydrophobicContact CB-CE3 3.76Å; P580-W582 HydrophobicContact CB-CH2 3.52Å; P580-W582 HydrophobicContact CB-CZ2 3.77Å; P580-W582 HydrophobicContact CB-CZ3 3.51Å; P580-W582 HydrophobicContact CG-CD2 4.27Å; P580-W582 HydrophobicContact CG-CE3 4.46Å; P580-W582 HydrophobicContact CG-CH2 3.85Å; P580-W582 HydrophobicContact CG-CZ2 3.58Å; P580-W582 HydrophobicContact CG-CZ3 4.29Å; P580-W582 PolarHBondContact O-N 3.05Å; P580-W582 VanDerWaalsContact O-N 3.08Å
583Q52.4Low38.7Very low81 Ų81113 Ų11338%0.37972%0.717SS.*G310 helixtrans-96.81.2175.6-69.2-175.4-15.100113.4P580 P581 P585P580-Q583 HydrophobicContact CG-CG 4.28Å; P580-Q583 PolarHBondContact O-N 3.12Å; P580-Q583 VanDerWaalsContact O-N 3.11Å; P581-Q583 VanDerWaalsContact C-N 3.32Å; Q583-P585 WeakPolarHBondContact O-CD 3.49Å
584Q45.5Very low38.5Very low140 Ų140116.6 Ų116.665%0.65472%0.721SS**  trans-83122.1177-68.6-171.2-9.200111.4Q586Q584-Q586 PolarHBondContact O-N 3.29Å
585P42.3Very low38.7Very low109 Ų109115.3 Ų115.371%0.70871%0.713SS**  trans-71.1119.5169.429-32.3000109.6Q583 Q587Q583-P585 WeakPolarHBondContact O-CD 3.49Å; P585-Q587 PolarHBondContact O-N 3.04Å; P585-Q587 VanDerWaalsContact O-N 3.11Å
586Q37Very low38.8Very low199 Ų199117.9 Ų117.993%0.9372%0.716SS**  trans-64.4113173.1-71.7-174.5-9.200110.2Q584Q584-Q586 PolarHBondContact O-N 3.29Å
587Q34Very low38.7Very low165 Ų165120 Ų12077%0.77172%0.716SS**PPolyproline II helixtrans-95.3134.3166.4-73.1-70.7-27.400108.9P585P585-Q587 PolarHBondContact O-N 3.04Å; P585-Q587 VanDerWaalsContact O-N 3.11Å
588P36Very low39.6Very low105 Ų105120 Ų12068%0.68271%0.714SS**PPolyproline II helixtrans-68.9145.5173.130.1-33.9000110.5V590P588-V590 PolarHBondContact O-N 3.2Å
589A29.8Very low39.1Very low107 Ų107123.9 Ų123.988%0.88472%0.722SS**PPolyproline II helixtrans-66.4134.317900000111.5
590V35Very low38.2Very low134 Ų134121.5 Ų121.581%0.81273%0.727SS**  trans-113.1147.9171.3-670000110.1P588P588-V590 PolarHBondContact O-N 3.2Å
591S30.6Very low37.7Very low129 Ų129127.7 Ų127.790%0.90276%0.764SS**  trans-128.2146.5167.3-73.90000108.6
592A32.2Very low37.1Very low105 Ų105131.4 Ų131.487%0.86877%0.772SS**  trans-99.7154.1-146.200000116.1
593A28.9Very low36.5Very low102 Ų102132.4 Ų132.484%0.84379%0.793SS**  trans-149.4147.614700000109.8
594Q30.2Very low35.6Very low186 Ų186136.8 Ų136.887%0.86982%0.815SS**  trans-139.2169.4175.6-72-170.8-64.900108.5
595P49.5Very low35.4Very low107 Ų107136 Ų13670%0.69582%0.82SS**  cis-122.7-171.4-40.736.1-20.7000110.3
596P31.3Very low35.5Very low131 Ų131136 Ų13685%0.85182%0.82SS**  -138.8-178.3103.738.3-26.3000114.4
597L32.3Very low36.1Very low166 Ų166132.1 Ų132.187%0.86981%0.812SS**  trans-87.9164.9-170.1-78.1169.5000114.2
598P51.6Low36.5Very low115 Ų115129.7 Ų129.775%0.74781%0.81SS**  trans-96.7157.2-157.137.2-36.9000115.7
599M29.4Very low36.7Very low192 Ų192131.2 Ų131.295%0.94682%0.82SS**  trans-145.2151158.6-80.1-152.877.800112
600G30.9Very low37.6Very low71 Ų71129.9 Ų129.973%0.73282%0.817SS**  trans7890.7144.200000118
601T39.8Very low37.9Very low144 Ų144130.2 Ų130.288%0.88382%0.819SS**  trans-61.7130.7155.550.20000111.1
602Q29Very low38.6Very low185 Ų185132.3 Ų132.386%0.86481%0.814SS**  trans-135.2147.1154.7-77.1-148.821.900111.8
603S39.2Very low39.5Very low108 Ų108132.6 Ų132.676%0.75581%0.807SS**  trans-80.5148.3177.9-172.30000110.9
604M34.1Very low40.5Very low172 Ų172133.8 Ų133.885%0.84781%0.807SS**  trans-132146.5172-87.8-71.1162.800111.1
605V40.1Very low41.6Very low125 Ų125131.3 Ų131.376%0.75880%0.798SS**PPolyproline II helixtrans-98.7145.2-159.6179.90000110.9
606P44.3Very low41.8Very low109 Ų109130.9 Ų130.971%0.70880%0.796SS**PPolyproline II helixtrans-62147.6173.325.9-36000112.5
607P49.3Very low42.5Very low117 Ų117131.2 Ų131.276%0.7680%0.798SS**PPolyproline II helixtrans-69.6155.3-177.829.4-35.9000112.8
608P43.3Very low43.6Very low113 Ų113127.2 Ų127.273%0.73480%0.797SS**PPolyproline II helixtrans-68.2150.8179.728.9-35.5000112.6G610P608-G610 PolarHBondContact O-N 3.02Å
609P39.6Very low43.6Very low138 Ų138124.8 Ų124.890%0.89679%0.786SS**THydrogen-bonded Turntrans-72.3128-178.729.6-34.5000111.8
610G48.3Very low44.7Very low79 Ų79121 Ų12181%0.81478%0.776SS**THydrogen-bonded Turntrans158.5-23.717000000116.2P608P608-G610 PolarHBondContact O-N 3.02Å
611V42.4Very low46Very low140 Ų140123.2 Ų123.285%0.84878%0.777SS**PPolyproline II helixtrans-99.9119.5-174.7-172.80000111
612Q44.9Very low46.9Very low173 Ų173121.3 Ų121.381%0.80877%0.768SS**PPolyproline II helixtrans-88.4147.7167.2-72.5-168.5-1600110.9
613P50.2Low48.3Very low111 Ų111118.1 Ų118.172%0.72176%0.763SS**PPolyproline II helixtrans-67152.3170.730.1-35000111.1
614P51.4Low49.3Very low128 Ų128118.5 Ų118.583%0.83176%0.763SS**PPolyproline II helixtrans-66.7142-17627-34.8000112.8
615L52.2Low50.3Low133 Ų133115.9 Ų115.970%0.69676%0.759SS**PPolyproline II helixtrans-75.5149.5175-74.7162.5000111.6
616P54.2Low51Low99 Ų99115.3 Ų115.364%0.64376%0.758SS**PPolyproline II helixtrans-67.4151.1172.429.8-35000111.5G618P616-G618 PolarHBondContact O-N 2.91Å
617P47Very low51.3Low137 Ų137114.9 Ų114.989%0.8976%0.755SS**THydrogen-bonded Turntrans-65.6131.7-175.926.6-34.6000112
618G55Low51Low83 Ų83115.9 Ų115.986%0.85676%0.762SS**THydrogen-bonded Turntrans120.8-8.5174.300000115.9P616P616-G618 PolarHBondContact O-N 2.91Å
619A50.7Low51.3Low63 Ų63114.2 Ų114.252%0.52176%0.764SS.*PPolyproline II helixtrans-81.5138174.600000112.1
620P53.2Low51.5Low113 Ų113112.3 Ų112.373%0.73476%0.755SS**PPolyproline II helixtrans-69.7151.3169.930.4-34.5000111.1
621P58.5Low51.1Low117 Ų117114.9 Ų114.976%0.7675%0.754SS**PPolyproline II helixtrans-68.6148.9-178.328.7-35.2000112.3
622P57.6Low50.9Low105 Ų105110.8 Ų110.868%0.68274%0.741SS**PPolyproline II helixtrans-67.8153.6173.630.1-35.1000111.5
623P58Low50.6Low117 Ų117111.1 Ų111.176%0.7674%0.744SS**PPolyproline II helixtrans-65.1149.1176.428.4-35.2000111.5
624P62Low50.1Low116 Ų116114 Ų11475%0.75375%0.751SS**PPolyproline II helixtrans-67.2149-179.228.5-35.3000112
625P54.8Low49.7Very low117 Ų117118.4 Ų118.476%0.7675%0.752SS**PPolyproline II helixtrans-67.1151.1173.229.8-35000111.2
626P53.8Low49.1Very low114 Ų114116 Ų11674%0.7475%0.752SS**PPolyproline II helixtrans-65.9149.6175.828.8-35.1000111.4
627P51.1Low48.9Very low100 Ų100116.7 Ų116.765%0.64976%0.756SS**PPolyproline II helixtrans-67.3140.3-178.527.8-35000111.8G629P627-G629 PolarHBondContact O-N 3.4Å
628P42.8Very low49.1Very low138 Ų138115.5 Ų115.590%0.89675%0.748SS**THydrogen-bonded Turntrans-73.1120.4174.229.9-32.9000110.1
629G49.9Very low48.9Very low77 Ų77117.1 Ų117.179%0.79474%0.743SS**THydrogen-bonded Turntrans1403.9171.300000117.9P627P627-G629 PolarHBondContact O-N 3.4Å
630S43.5Very low49.2Very low99 Ų99119.6 Ų119.669%0.69276%0.755SS**  trans-112.936.8-179.752.20000114.5G632S630-G632 PolarHBondContact O-N 2.87Å
631T40.1Very low49.3Very low132 Ų132119.7 Ų119.781%0.8176%0.755SS**PPolyproline II helixtrans-63.7129.5161.2-370000108.7
632G38.2Very low49.4Very low54 Ų54119.4 Ų119.456%0.55775%0.753SS**PPolyproline II helixtrans-63.7158.4-16400000116.3S630 M634S630-G632 PolarHBondContact O-N 2.87Å; G632-M634 PolarHBondContact O-N 3.45Å
633M39.3Very low49.1Very low180 Ų180120.7 Ų120.789%0.88776%0.761SS**PPolyproline II helixtrans-48.4119172-74.8-69.5-167.200111.2Y635M633-Y635 PolarHBondContact O-N 3.27Å; M633-Y635 VanDerWaalsContact O-N 3.17Å
634M38.3Very low48.5Very low173 Ų173123.8 Ų123.885%0.85277%0.768SS**  trans-83.293.5-178.7-54.7-176.9-154.400109.5G632 A636G632-M634 PolarHBondContact O-N 3.45Å; M634-A636 PolarHBondContact O-N 3.21Å; M634-A636 VanDerWaalsContact O-N 3.13Å
635Y42.8Very low47.7Very low219 Ų219123.7 Ų123.786%0.85976%0.761SS**  trans-63112.7164.1-93.2-90.8000108.7M633M633-Y635 PolarHBondContact O-N 3.27Å; M633-Y635 VanDerWaalsContact O-N 3.17Å
636A41.2Very low47.3Very low84 Ų84123.9 Ų123.969%0.69476%0.762SS**PPolyproline II helixtrans-64.1135.1171.200000109.4M634M634-A636 PolarHBondContact O-N 3.21Å; M634-A636 VanDerWaalsContact O-N 3.13Å
637P48.6Very low47Very low113 Ų113123.4 Ų123.473%0.73476%0.762SS**PPolyproline II helixtrans-66145.2172.329-34000109.9
638P51Low46.8Very low112 Ų112126 Ų12673%0.72777%0.77SS**PPolyproline II helixtrans-63.2152.9171.528.7-34.7000110.6
639P51.5Low46.5Very low116 Ų116128.9 Ų128.975%0.75377%0.769SS**PPolyproline II helixtrans-63149.5176.727.8-35000111.3
640P58.1Low46.3Very low116 Ų116131.5 Ų131.575%0.75377%0.769SS**PPolyproline II helixtrans-66.3149.117829-35.2000111.5
641P55.2Low46.5Very low115 Ų115133.2 Ų133.275%0.74778%0.776SS**PPolyproline II helixtrans-66.1155172.529.8-35.2000111.3
642P58.8Low46.4Very low110 Ų110136.1 Ų136.171%0.71478%0.783SS**PPolyproline II helixtrans-64.5155.1175.228.9-35.4000111.7M644P642-M644 PolarHBondContact O-N 3.33Å
643P51.9Low46.5Very low132 Ų132143.2 Ų143.286%0.85780%0.803SS**PPolyproline II helixtrans-64.5134.417827.7-34.5000111.2
644M45.8Very low46.5Very low183 Ų183137.8 Ų137.890%0.90179%0.794SS**PPolyproline II helixtrans-82.5138.3174.6-71-83.6-8300110.5P642P642-M644 PolarHBondContact O-N 3.33Å
645D44.3Very low46.7Very low113 Ų113138.9 Ų138.960%0.60480%0.8SS**PPolyproline II helixtrans-71.5138177.9-171-71.5000111.4S647D645-S647 PolarHBondContact O-N 3.11Å; D645-S647 WeakPolarHBondContact OD1-CB 3.4Å; D645-S647 PolarHBondContact OD1-N 2.81Å; D645-S647 PolarHBondContact OD1-OG 3.11Å
646P47.8Very low46.3Very low121 Ų121131.8 Ų131.879%0.78679%0.793SS**G310 helixtrans-71.3-5.9-176.829.6-36.8000115.2N648P646-N648 PolarHBondContact O-N 3.08Å
647S47Very low46.2Very low105 Ų105134.5 Ų134.573%0.73480%0.8SS**G310 helixtrans-72.77.1-168.7-54.60000116.3D645D645-S647 PolarHBondContact O-N 3.11Å; D645-S647 WeakPolarHBondContact OD1-CB 3.4Å; D645-S647 PolarHBondContact OD1-N 2.81Å; D645-S647 PolarHBondContact OD1-OG 3.11Å
648N45.7Very low46.2Very low153 Ų153134.9 Ų134.982%0.81880%0.803SS**G310 helixtrans-115.121.6-166.1-134.8-21.4000115.4P646P646-N648 PolarHBondContact O-N 3.08Å
649F37.8Very low45.4Very low199 Ų199133.1 Ų133.187%0.87381%0.805SS**  trans-9720.1178.6-145.1-96.1000114.5
650V44.9Very low44.9Very low132 Ų132135.7 Ų135.780%0.881%0.809SS**  trans-132.276.8179.2-171.60000111.2
651T47.6Very low44.6Very low135 Ų135134.5 Ų134.583%0.82880%0.801SS**SBendtrans-172.691.1148.1-73.80000109
652M38.2Very low44.3Very low194 Ų194135.1 Ų135.196%0.95681%0.805SS**  trans-179.847.9150.4-102.5-177.7-169.800112.6
653M40.7Very low43.6Very low202 Ų202139.1 Ų139.1100%0.99581%0.812SS**  trans-122.1120.6158.7-78.1-163.3-177.800109.1
654G39.4Very low43.3Very low67 Ų67136.2 Ų136.269%0.69181%0.806SS**  trans159132.8177.300000111.8
655M42.3Very low43.7Very low196 Ų196136.1 Ų136.197%0.96681%0.805SS**  trans65.8132.9-163.3-40.8-68.1179.300111.9
656G35.3Very low44.3Very low69 Ų69136.4 Ų136.471%0.71181%0.813SS**  cis110.8130.91300000110.1
657V39.2Very low44.8Very low142 Ų142136.5 Ų136.586%0.86181%0.814SS**  cis-139.7-1468.2-154.80000110.1
658P46.8Very low45.4Very low120 Ų120135.9 Ų135.978%0.77982%0.815SS**  -119.8160.6-127.142-26.1000119.2
659G35.8Very low46.3Very low75 Ų75134.2 Ų134.277%0.77381%0.812SS**  107.2109.8126.800000120.2
660M40Very low47.8Very low170 Ų170130.1 Ų130.184%0.83781%0.806SS**  trans-168.1156.1136.1-101.9-167.9101.600109.9
661P51.5Low48.9Very low92 Ų92129.3 Ų129.360%0.59780%0.804SS**  trans-82156.9-175.333.4-35.9000113.6
662P48.5Very low49.9Very low127 Ų127128.5 Ų128.583%0.82580%0.801SS**  trans-73.7127.9177.430.1-34.1000111.9G664P662-G664 PolarHBondContact O-N 3.11Å
663F45.7Very low51.2Low194 Ų194124.6 Ų124.685%0.85179%0.789SS**  trans-74.5115.7167.8-83-94.6000110
664G45.1Very low51.9Low71 Ų71121 Ų12173%0.73278%0.782SS**PPolyproline II helixtrans-67.7144169.600000111.5P662P662-G664 PolarHBondContact O-N 3.11Å
665M53.8Low52.7Low182 Ų182127.3 Ų127.390%0.89779%0.793SS**PPolyproline II helixtrans-66.9139.7174.6-63.2178.470.800110.5
666P58.3Low53.1Low119 Ų119129.3 Ų129.377%0.77381%0.807SS**PPolyproline II helixtrans-69.2143.9176.929.1-34.5000111.2
667P57.9Low54Low123 Ų123132.3 Ų132.380%0.79981%0.812SS**PPolyproline II helixtrans-69.2155.1175.230-35.1000111.8
668A59.2Low54.8Low91 Ų91131.8 Ų131.875%0.75281%0.81SS**PPolyproline II helixtrans-65.2147177.900000112.3
669P65.1Low55.2Low118 Ų118132.4 Ų132.477%0.76681%0.811SS**PPolyproline II helixtrans-68.1147.6177.828.9-35.1000111.8
670P67.6Low56.4Low114 Ų114135.8 Ų135.874%0.7481%0.814SS**PPolyproline II helixtrans-69.4154.9177.830-35.6000112.1
671P68.4Low57.4Low115 Ų115133.7 Ų133.775%0.74781%0.812SS**PPolyproline II helixtrans-65.8152.3175.929.1-35.6000111.8
672P68.8Low57.8Low118 Ų118136.5 Ų136.577%0.76683%0.826SS**PPolyproline II helixtrans-65.5146.9176.628.4-34.9000111.4
673P65.9Low58.5Low111 Ų111137.1 Ų137.172%0.72183%0.827SS**PPolyproline II helixtrans-66.1154175.429.4-35.3000111.3Q675P673-Q675 PolarHBondContact O-N 3.5Å
674P56.3Low59.4Low128 Ų128132.8 Ų132.883%0.83183%0.825SS**PPolyproline II helixtrans-62.5130.5179.226.4-34.4000111.2
675Q55.8Low60.6Low199 Ų199137.9 Ų137.993%0.9383%0.832SS**PPolyproline II helixtrans-75.9146.6163.6-73.8-176.7-32.900109.8P673P673-Q675 PolarHBondContact O-N 3.5Å
676N50.5Low61.3Low237 Ų237133.9 Ų133.9100%1.26783%0.827SS**  trans-127.30-173.2-179.266000108.8

Retrieved 676 of 676 residues in 628 ms (Link to these results)