A0A087XSQ6_POEFO Loading...

Ovo like transcriptional repressor 1

AlphaFold DB , UniProt , Accession A0A087XSQ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 342 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M27.2Very low32.4Very low237 Ų237165.4 Ų165.4100%1.16786%0.857SS**  0150.10-71.6-53.7177.800109.2
2P44.2Very low32.4Very low121 Ų121162.4 Ų162.479%0.78685%0.851SS**  -102.9167.4-11636.4-39.1000115.5
3R30.2Very low32.1Very low246 Ų246156.7 Ų156.793%0.92883%0.833SS**  trans-133.3130.1156.8-109.7-175.514899.40.1110.6
4A33.2Very low32.2Very low97 Ų97154.9 Ų154.980%0.80284%0.835SS**  trans-75.6151.5-173.600000112.8
5F30.7Very low31.9Very low214 Ų214149.3 Ų149.394%0.93983%0.828SS**  trans-70.9130.6172.2-82.4-95.9000111.1
6L32.7Very low32.2Very low138 Ų138153.3 Ų153.372%0.72383%0.834SS**  trans-105.2107.9-174.5-155.1161.1000109.1K8L6-K8 HydrophobicContact CD2-CD 4.41Å; L6-K8 HydrophobicContact CD2-CG 3.98Å; L6-K8 PolarHBondContact O-N 3.35Å
7V35.3Very low32.4Very low134 Ų134157.5 Ų157.581%0.81284%0.835SS**  trans-67.6119.8176173.70000109.7
8K32.6Very low32.1Very low182 Ų182155.7 Ų155.779%0.79183%0.825SS**  trans-122.4120.7164.7-85.8-179.6174178.20110.2L6L6-K8 HydrophobicContact CD2-CD 4.41Å; L6-K8 HydrophobicContact CD2-CG 3.98Å; L6-K8 PolarHBondContact O-N 3.35Å
9K31.2Very low32Very low207 Ų207160.5 Ų160.590%0.983%0.831SS**  trans-66.3132.1169.2-70.8172.9173.6174.20109.2
10A30.7Very low32.1Very low96 Ų96157 Ų15779%0.79382%0.821SS**  trans-105.2113.4161.700000108.5
11N28.1Very low32.3Very low147 Ų147157.8 Ų157.879%0.78682%0.821SS**  trans-91.4122169.6-179.819.6000107.6
12V32.3Very low32.6Very low130 Ų130154.1 Ų154.179%0.78881%0.805SS**  trans-128.8114174.2178.50000109
13S29Very low32.1Very low88 Ų88154.2 Ų154.262%0.61581%0.806SS**  trans-69.7161.5-178.4-58.30000113G15S13-G15 PolarHBondContact O-N 2.89Å
14P33Very low32.5Very low132 Ų132150.1 Ų150.186%0.85780%0.802SS**  trans-71.3113.2-177-13.228.8000111.9
15G29Very low33Very low71 Ų71153.2 Ų153.273%0.73280%0.8SS**  trans-68.9127.2170.700000111.6S13 R17S13-G15 PolarHBondContact O-N 2.89Å; G15-R17 PolarHBondContact O-N 3.17Å
16K35.7Very low33.2Very low212 Ų212151 Ų15192%0.92279%0.793SS**  trans-58.4125.1172.2-60.5170.4-178.6175.90109.2
17R36.1Very low33.3Very low226 Ų226154.7 Ų154.785%0.85380%0.797SS**  trans-108.5129.1161.4-91.9-171.7-84.8-166.1-4.5109.7G15G15-R17 PolarHBondContact O-N 3.17Å
18N25.9Very low33Very low124 Ų124151.3 Ų151.366%0.66379%0.789SS**  trans-74.5136.9-178.1-16615000109.5S20N18-S20 VanDerWaalsContact C-N 3.32Å; N18-S20 PolarHBondContact O-N 2.93Å; N18-S20 PolarHBondContact OD1-OG 3.04Å
19W31.7Very low33Very low248 Ų248149.3 Ų149.394%0.93979%0.787SS**THydrogen-bonded Turntrans-9419.5-174.7-81.188000113.4
20S32.4Very low33Very low90 Ų90144.8 Ų144.863%0.62978%0.776SS**THydrogen-bonded Turntrans-95.7-11.7-173.6-53.20000115.1N18N18-S20 VanDerWaalsContact C-N 3.32Å; N18-S20 PolarHBondContact O-N 2.93Å; N18-S20 PolarHBondContact OD1-OG 3.04Å
21E36.3Very low32.8Very low173 Ų173150.3 Ų150.381%0.80878%0.778SS**  trans-139.564.8-168.4-62.8-168.4121.700113.3
22L34.9Very low33.3Very low161 Ų161147.6 Ų147.684%0.84376%0.762SS**  trans-135.2141.7160.8-95100.4000111.5
23P33.8Very low33.1Very low122 Ų122145.9 Ų145.979%0.79275%0.754SS**  trans-78.1162.6-171-1532000115.6H25P23-H25 VanDerWaalsContact C-N 3.34Å; P23-H25 PolarHBondContact O-N 3.07Å
24D37Very low33.3Very low161 Ų161147.4 Ų147.486%0.86176%0.76SS**SBendtrans-69.774178.2-116.4-63.5000113.5
25H44.4Very low33Very low161 Ų161145.6 Ų145.675%0.74575%0.75SS**  trans-155.7102.3155.8-173.8-76000110.8P23P23-H25 VanDerWaalsContact C-N 3.34Å; P23-H25 PolarHBondContact O-N 3.07Å
26E34.3Very low33.3Very low169 Ų169149.2 Ų149.279%0.7975%0.751SS**  trans-173.342.8156.6-98-77.79100109.5G28E26-G28 VanDerWaalsContact C-N 3.27Å; E26-G28 PolarHBondContact O-N 2.74Å
27R35.5Very low33Very low215 Ų215147.8 Ų147.881%0.81175%0.745SS**  trans-75.691.1157.2-70.1-171.6-160.7-167.87.5106.6D29R27-D29 PolarHBondContact O-N 2.77Å
28G29.3Very low32.9Very low62 Ų62142.6 Ų142.664%0.63974%0.741SS**  trans-66.864.2178.200000113.5E26 V30E26-G28 VanDerWaalsContact C-N 3.27Å; E26-G28 PolarHBondContact O-N 2.74Å; G28-V30 VanDerWaalsContact C-N 3.34Å; G28-V30 PolarHBondContact O-N 3.2Å
29D31.6Very low33.1Very low141 Ų141144.4 Ų144.475%0.75475%0.75SS**  trans-68.794.3164.7-86.6-48.1000108.3R27 Y31R27-D29 PolarHBondContact O-N 2.77Å; D29-Y31 PolarHBondContact O-N 3.46Å
30V31.3Very low33.1Very low112 Ų112138 Ų13868%0.67974%0.743SS**  trans-64.790.9172.9-178.30000108.7G28 I32G28-V30 VanDerWaalsContact C-N 3.34Å; G28-V30 PolarHBondContact O-N 3.2Å; V30-I32 HydrophobicContact CG1-CG1 4.38Å; V30-I32 PolarHBondContact O-N 3.01Å
31Y27.9Very low33Very low211 Ų211137 Ų13783%0.82775%0.747SS**  trans-66.6108171.2-145.6-89.4000107.6D29 P33D29-Y31 PolarHBondContact O-N 3.46Å; Y31-P33 WeakPolarHBondContact O-CD 3.35Å
32I37.1Very low32.7Very low90 Ų90136.1 Ų136.146%0.46275%0.747SS.*  trans-91109.7168.8-59.1176.2000105.1V30 V34V30-I32 HydrophobicContact CG1-CG1 4.38Å; V30-I32 PolarHBondContact O-N 3.01Å; I32-V34 PolarHBondContact O-N 3.19Å
33P29.5Very low32.4Very low95 Ų95136.3 Ų136.362%0.61775%0.746SS**  trans-65.7110.6176.126.8-32.6000108.7Y31 S35Y31-P33 WeakPolarHBondContact O-CD 3.35Å; P33-S35 VanDerWaalsContact C-N 3.27Å; P33-S35 PolarHBondContact O-N 3.41Å; P33-S35 VanDerWaalsContact O-N 3.17Å
34V31.6Very low32.2Very low120 Ų120136.3 Ų136.373%0.72774%0.744SS**  trans-84.482.5166.7-175.40000106.3I32 I36I32-V34 PolarHBondContact O-N 3.19Å; V34-I36 HydrophobicContact CG1-CG1 4.06Å; V34-I36 PolarHBondContact O-N 3.41Å
35S28.1Very low31.8Very low93 Ų93137.7 Ų137.765%0.6575%0.745SS**  trans-66.494.7174.5-56.90000109.4P33 F37P33-S35 VanDerWaalsContact C-N 3.27Å; P33-S35 PolarHBondContact O-N 3.41Å; P33-S35 VanDerWaalsContact O-N 3.17Å; S35-F37 PolarHBondContact O-N 3.23Å
36I35.4Very low31Very low148 Ų148137 Ų13776%0.75975%0.752SS**  trans-82.6100.3170.3-56.5175.3000106.9V34V34-I36 HydrophobicContact CG1-CG1 4.06Å; V34-I36 PolarHBondContact O-N 3.41Å
37F29Very low30.6Very low182 Ų182137.8 Ų137.880%0.79876%0.756SS**  trans-104.5138.3162.5-82.9-80.3000109.5S35S35-F37 PolarHBondContact O-N 3.23Å
38P34.8Very low30.1Very low117 Ų117132.5 Ų132.576%0.7676%0.758SS**  trans-75.8148173.833.5-33.3000109.4
39N29.6Very low30.1Very low161 Ų161134.9 Ų134.986%0.86177%0.765SS**  trans-136.5120.5154.3-158.77000110.9
40S31.6Very low30.6Very low113 Ų113133.4 Ų133.479%0.7976%0.763SS**  trans-109.1121.4169.350.70000107.3
41G29.4Very low30.4Very low70 Ų70132.5 Ų132.572%0.72277%0.767SS**  trans170.7108.5177.100000113.4
42L31.7Very low30.5Very low154 Ų154131.2 Ų131.281%0.80677%0.769SS**  trans-39.2149.7175.4-77.860.9000115.6
43M28.1Very low30.2Very low166 Ų166133.6 Ų133.682%0.81879%0.788SS**  -148.6119.8112.1-90.4-50.5137.900111.9
44T28.4Very low30.2Very low122 Ų122132.1 Ų132.175%0.74879%0.789SS**  trans40.8134.2144.853.90000122.7
45E28.3Very low30.4Very low190 Ų190131.1 Ų131.189%0.88879%0.785SS**  trans-72.8145.9175.6-58160.1121.400113.5
46V28.3Very low30.5Very low146 Ų146134 Ų13489%0.88579%0.793SS**  trans-139.2124.4146.4169.40000106.8
47E26.8Very low30.4Very low186 Ų186130.8 Ų130.887%0.86978%0.782SS**  trans-72.2136.1176.2-74-156.398.300112.7
48A25.3Very low30.5Very low103 Ų103129.6 Ų129.685%0.85178%0.784SS**  trans-160.6124.6143.400000109.7
49S29.1Very low30.5Very low112 Ų112128 Ų12878%0.78377%0.772SS**  trans-147.6163.8177.9-151.50000108.3
50P41.6Very low30.4Very low111 Ų111130.1 Ų130.172%0.72177%0.773SS**  cis-123.4163.3-13.935.5-20.4000113.2
51A26.3Very low30.3Very low93 Ų93133 Ų13377%0.76977%0.774SS**  trans-149.682.7162.100000112T53A51-T53 PolarHBondContact O-N 2.8Å
52E29.6Very low30Very low184 Ų184135.3 Ų135.386%0.8678%0.779SS**  trans-6104.5155.3-64.6-69.997.900116.8
53T31.7Very low29.7Very low140 Ų140133.1 Ų133.186%0.85978%0.777SS**  trans-154.299.6150.124.40000110.9A51A51-T53 PolarHBondContact O-N 2.8Å
54G29.5Very low29.6Very low63 Ų63130.2 Ų130.265%0.64977%0.773SS**  trans-67.5152.5174.200000113L56G54-L56 PolarHBondContact O-N 3.25Å; G54-L56 VanDerWaalsContact O-N 3.09Å
55P36.6Very low29.5Very low99 Ų99131.8 Ų131.864%0.64378%0.777SS**  trans-73.4105-174.228.4-34.2000112.5C57P55-C57 PolarHBondContact O-N 3.34Å
56L30.3Very low29.5Very low155 Ų155128.8 Ų128.881%0.81278%0.777SS**  trans-59.3118.4169.2-71.3175.3000110.8G54 L58G54-L56 PolarHBondContact O-N 3.25Å; G54-L56 VanDerWaalsContact O-N 3.09Å; L56-L58 PolarHBondContact O-N 3.41Å
57C32Very low29.6Very low80 Ų80131.5 Ų131.554%0.54178%0.779SS.*  trans-69.188172.9-79.90000111.2P55 T59P55-C57 PolarHBondContact O-N 3.34Å; C57-T59 VanDerWaalsContact C-N 3.3Å; C57-T59 PolarHBondContact O-N 2.85Å
58L31.1Very low29.6Very low157 Ų157126.6 Ų126.682%0.82277%0.77SS**  trans-65.684.8171.7-85.397000112.1L56 K60L56-L58 PolarHBondContact O-N 3.41Å; L58-K60 PolarHBondContact O-N 2.85Å
59T34.3Very low29.8Very low83 Ų83130.6 Ų130.651%0.50977%0.772SS.*  trans-72.5110.415738.50000109.2C57 H61C57-T59 VanDerWaalsContact C-N 3.3Å; C57-T59 PolarHBondContact O-N 2.85Å; T59-H61 PolarHBondContact O-N 2.8Å
60K27.8Very low29.9Very low206 Ų206133 Ų13390%0.89678%0.775SS**  trans-63.9103.3171.1-68.7-175.6175.9-172.80110L58L58-K60 PolarHBondContact O-N 2.85Å
61H29.7Very low29.6Very low173 Ų173133.8 Ų133.880%0.80178%0.779SS**  trans-84.6137.6164.4-83-97.8000110.3T59T59-H61 PolarHBondContact O-N 2.8Å
62S23.2Very low29.7Very low119 Ų119135 Ų13583%0.83278%0.783SS**  trans-119.1106.1173.2173.50000107.2
63S25.3Very low29.6Very low108 Ų108131.7 Ų131.776%0.75578%0.78SS**  trans177.1128.5161.6-870000105.1
64S26.9Very low29.5Very low105 Ų105130.9 Ų130.973%0.73478%0.775SS**  73.5108.960.3-61.90000112.4
65D26.4Very low29.5Very low155 Ų155131.9 Ų131.983%0.82978%0.777SS**  trans55.5116161-66.3-74.1000120.8
66S28.4Very low29.2Very low127 Ų127135.7 Ų135.789%0.88879%0.791SS**  -174.9106.7126.7-780000110
67H28.8Very low29.3Very low202 Ų202131.8 Ų131.894%0.93579%0.789SS**  trans-93.8121.9171.4-132.9-90.6000108.7
68A27.8Very low29.2Very low83 Ų83136.9 Ų136.969%0.68680%0.804SS**  trans-120.3130.2177.700000111.5
69Q28.6Very low29.5Very low188 Ų188134.2 Ų134.288%0.87980%0.797SS**  trans-2.5134.2173.1-78125.4-39.800122.5
70L32.1Very low29.3Very low163 Ų163141.6 Ų141.685%0.85382%0.815SS**PPolyproline II helixtrans-83.3155.7151.5-62.4165.3000110.6
71P35.6Very low29.3Very low126 Ų126137.2 Ų137.282%0.81881%0.811SS**PPolyproline II helixtrans-91.3155.8161.135.1-31.1000112.7
72S26.9Very low29.6Very low119 Ų119134.8 Ų134.883%0.83281%0.81SS**PPolyproline II helixtrans-103.5155.1-167.7-510000115.2
73S28.8Very low29.8Very low115 Ų115134.9 Ų134.980%0.80481%0.81SS**  trans-171.1159.5148.5-880000111
74T29.9Very low29.9Very low122 Ų122133.7 Ų133.775%0.74882%0.815SS**  cis-167.1150.2-25.3-880000107.1
75A28.7Very low30Very low85 Ų85134.2 Ų134.270%0.70282%0.819SS**  trans68.1147.5171.500000117.1
76L31.1Very low30.7Very low178 Ų178133.3 Ų133.393%0.93282%0.822SS**  cis-159157.6-3.2-112.9165.4000108.3
77G31Very low30.6Very low74 Ų74130.8 Ų130.876%0.76382%0.816SS**  trans12690.9163.500000117.5
78Q30.5Very low30.9Very low187 Ų187132.9 Ų132.987%0.87482%0.815SS**  trans-80.9170.3158.5-88.7-169.17.400110.1
79P37.9Very low31Very low101 Ų101133.8 Ų133.866%0.65682%0.817SS**  cis-151.3-175.231.746.3-26000119.5
80R29.8Very low31.2Very low237 Ų237132 Ų13289%0.89481%0.813SS**  trans80108.9158.4-70.1171.3-176.8-92.5-1.3119.6
81S28.9Very low31.2Very low115 Ų115131.1 Ų131.180%0.80481%0.808SS**  trans-69.5166.6152.2-42.20000111.3
82P35.6Very low31.3Very low122 Ų122136.5 Ų136.579%0.79281%0.812SS**  -137.816591.735.2-21000116.1
83S27.5Very low31.5Very low120 Ų120141.6 Ų141.684%0.83981%0.813SS**  trans-34.4140.6171.550.40000118.1
84G27Very low31.5Very low83 Ų83140.9 Ų140.986%0.85681%0.808SS**  trans178.693.5164.900000115.2
85S29.1Very low31.7Very low117 Ų117143.7 Ų143.782%0.81882%0.817SS**  trans-146.2150.6160.359.60000107.5
86P40.1Very low31.9Very low135 Ų135148.1 Ų148.188%0.87782%0.823SS**  cis-127.1167.625.940.6-26.1000115.7
87G27.2Very low32.2Very low74 Ų74145.6 Ų145.676%0.76382%0.82SS**  trans-162.593.9171.300000112.2
88R35.2Very low32.2Very low246 Ų246145.1 Ų145.193%0.92882%0.816SS**  trans-74.2125.9165.4-83.8179.4167.7-1223.9108.8
89S29.4Very low32.5Very low102 Ų102141.8 Ų141.871%0.71381%0.813SS**  trans-145.4118.7158.947.10000110.3I91S89-I91 PolarHBondContact O-N 2.98Å
90D33.6Very low32.2Very low152 Ų152144.8 Ų144.881%0.81382%0.823SS**  trans-67.3123.6176.4-66.6-90.1000111
91I31.5Very low32.3Very low143 Ų143143.8 Ų143.873%0.73382%0.82SS**  trans-115.998.5166.5-58.9-178.1000109.2S89 R93S89-I91 PolarHBondContact O-N 2.98Å; I91-R93 PolarHBondContact O-N 3.37Å
92R37.1Very low32.5Very low240 Ų240144.3 Ų144.391%0.90682%0.818SS**  trans-64.1122163.2-66.9-176.5179.4-157.12109.5
93R31.9Very low32.4Very low225 Ų225149.6 Ų149.685%0.84982%0.822SS**  trans-128.9105.2149.6-78.9-172.3173.1-163-1.8107.4I91I91-R93 PolarHBondContact O-N 3.37Å
94S29.4Very low32.7Very low100 Ų100147.9 Ų147.970%0.69981%0.81SS**  72.781.481.5-68.60000112.5
95L32.8Very low33.2Very low181 Ų181153.8 Ų153.895%0.94881%0.813SS**  trans-90.294.5157-78.1166.6000108.4
96H32.7Very low33.5Very low178 Ų178156.2 Ų156.282%0.82481%0.813SS**  trans-99.3123.6161.5-95.794.1000108.8G98H96-G98 PolarHBondContact O-N 3.47Å; H96-G98 VanDerWaalsContact O-N 3.17Å
97S38Very low33.5Very low125 Ų125159 Ų15987%0.87481%0.811SS**  trans-69.7103.6171.950.40000110.2
98G31.5Very low33.9Very low65 Ų65162 Ų16267%0.6782%0.815SS**  trans-118114.3174.500000111.4H96 L100H96-G98 PolarHBondContact O-N 3.47Å; H96-G98 VanDerWaalsContact O-N 3.17Å; G98-L100 PolarHBondContact O-N 3.5Å
99S35.8Very low34.2Very low117 Ų117155.9 Ų155.982%0.81881%0.805SS**  trans-73.8114.7172.9-171.30000109.6Y101S99-Y101 PolarHBondContact O-N 3.15Å
100L32.3Very low35.1Very low163 Ų163158 Ų15885%0.85381%0.814SS**  trans-87.598.9175.7-70.5-179.4000110.8G98 V102G98-L100 PolarHBondContact O-N 3.5Å; L100-V102 PolarHBondContact O-N 3.26Å
101Y30.9Very low35.3Very low217 Ų217153.8 Ų153.885%0.85181%0.806SS**  trans-65.4114.7161.7-119-97.9000109.3S99 R103S99-Y101 PolarHBondContact O-N 3.15Å; Y101-R103 PolarHBondContact O-N 3.04Å; Y101-R103 VanDerWaalsContact O-N 3.08Å
102V33.3Very low35.9Very low125 Ų125155.9 Ų155.976%0.75881%0.813SS**  trans-76.796.3171.2-179.40000108.7L100 S104L100-V102 PolarHBondContact O-N 3.26Å; V102-S104 PolarHBondContact O-N 3.43Å; V102-S104 VanDerWaalsContact O-N 3.1Å
103R33.2Very low36.6Very low233 Ų233152.2 Ų152.288%0.87981%0.81SS**  trans-81.779.7175.6-171.4176.2-179.11660.3110.6Y101 K105Y101-R103 PolarHBondContact O-N 3.04Å; Y101-R103 VanDerWaalsContact O-N 3.08Å; R103-K105 PolarHBondContact O-N 3.14Å
104S33.8Very low37.7Very low84 Ų84146.6 Ų146.659%0.58780%0.803SS**  trans-61.8116.9169.2-64.20000110.3V102 M106V102-S104 PolarHBondContact O-N 3.43Å; V102-S104 VanDerWaalsContact O-N 3.1Å; S104-M106 PolarHBondContact O-N 2.88Å; S104-M106 VanDerWaalsContact O-N 3.14Å
105K37.6Very low39.3Very low208 Ų208147.9 Ų147.990%0.90481%0.809SS**  trans-71103.4170.5-79.1-179.7174.1177.30108.9R103R103-K105 PolarHBondContact O-N 3.14Å
106M36.3Very low40.7Very low168 Ų168146.8 Ų146.883%0.82880%0.804SS**  trans-81124.6170.4-50.2179.9-15800108.3S104 V108S104-M106 PolarHBondContact O-N 2.88Å; S104-M106 VanDerWaalsContact O-N 3.14Å; M106-V108 PolarHBondContact O-N 2.8Å
107K39Very low42.1Very low193 Ų193144 Ų14484%0.83980%0.801SS**  trans-82.4113.5176.3-164.2170-178.2-179.60107.4T109K107-T109 PolarHBondContact O-N 2.97Å; K107-T109 VanDerWaalsContact O-N 3.15Å
108V36.8Very low43.6Very low137 Ų137142.1 Ų142.183%0.8379%0.793SS**  trans-71.2109.1-179.7176.70000108.8M106M106-V108 PolarHBondContact O-N 2.8Å
109T40.4Very low45.1Very low118 Ų118145.1 Ų145.172%0.72480%0.801SS**  trans-104.7122.4163.753.30000107.5K107 G111K107-T109 PolarHBondContact O-N 2.97Å; K107-T109 VanDerWaalsContact O-N 3.15Å; T109-G111 PolarHBondContact O-N 2.98Å
110T48.9Very low46.5Very low146 Ų146147.3 Ų147.390%0.89680%0.803SS**  trans-61.2108.2175.2-48.50000108.9
111G37.3Very low48.1Very low63 Ų63144.9 Ų144.965%0.64980%0.797SS**PPolyproline II helixtrans-101134.8177.300000110.5T109T109-G111 PolarHBondContact O-N 2.98Å
112E44.9Very low50Low188 Ų188140.5 Ų140.588%0.87980%0.795SS**PPolyproline II helixtrans-55.7153.5175.9-72.2-80.383.500112.9
113L51.1Low51.3Low162 Ų162139.4 Ų139.485%0.84880%0.799SS**PPolyproline II helixtrans-67.1135.5177.6-141.174.7000110.5
114P56.2Low52.9Low108 Ų108136 Ų13670%0.70180%0.798SS**PPolyproline II helixtrans-69.5143.4171.929.4-34.4000110.8
115P62.6Low54.5Low126 Ų126137.1 Ų137.182%0.81880%0.802SS**PPolyproline II helixtrans-71.2150.3175.230.1-34.7000111.9
116D61.3Low55.7Low159 Ų159133.1 Ų133.185%0.8580%0.798SS**PPolyproline II helixtrans-60.2146.5179.9-87.3-52.4000113.3
117P63.3Low57.1Low118 Ų118132.4 Ų132.477%0.76680%0.796SS**PPolyproline II helixtrans-69.4131.4175.429.2-33.8000111.4
118A69.2Low57.7Low86 Ų86128.7 Ų128.771%0.71179%0.792SS**PPolyproline II helixtrans-60.9145.8178.900000112.7
119P62.7Low58.8Low128 Ų128129.7 Ų129.783%0.83179%0.791SS**PPolyproline II helixtrans-67140.4-179.227.4-34.6000112.3
120L64.9Low59.1Low164 Ų164129.6 Ų129.686%0.85979%0.792SS**PPolyproline II helixtrans-70.4145.3179.1-66.5170.4000111.8
121P67.3Low59.6Low112 Ų112128 Ų12873%0.72779%0.787SS**PPolyproline II helixtrans-68.8152.7176.329.6-35.2000112.1
122P69.1Low60Low124 Ų124131.1 Ų131.181%0.80580%0.796SS**PPolyproline II helixtrans-66.8146.2-179.127.9-34.8000112.5
123A60.4Low60.1Low102 Ų102130.5 Ų130.584%0.84379%0.793SS**PPolyproline II helixtrans-68.3139.5-178.100000112.6
124L66.9Low59.9Low163 Ų163128.3 Ų128.385%0.85379%0.788SS**PPolyproline II helixtrans-70.4149.2173.7-69171.6000111.4
125P68.6Low59.5Low106 Ų106131.1 Ų131.169%0.68880%0.796SS**PPolyproline II helixtrans-68.8152.6-179.429.1-35.6000112.5
126P63Low58.7Low125 Ų125130.1 Ų130.181%0.81279%0.79SS**PPolyproline II helixtrans-70.8136.3-178.428.9-34.6000112.3
127I64.6Low58.1Low152 Ų152128.7 Ų128.778%0.77979%0.789SS**PPolyproline II helixtrans-77.8132174.8-54.8174.9000108.9
128P52.6Low57Low116 Ų116132.3 Ų132.375%0.75380%0.796SS**PPolyproline II helixtrans-70.1135179.827.9-34.3000112.1
129I59.1Low55.5Low158 Ų158132.6 Ų132.681%0.8180%0.799SS**PPolyproline II helixtrans-89.3126.8176.7-55.7171.5000108.6
130P47.4Very low54.5Low116 Ų116131.5 Ų131.575%0.75380%0.8SS**PPolyproline II helixtrans-73.3142.7177.529.2-33.8000112.4
131S59.5Low53.4Low112 Ų112130.4 Ų130.478%0.78380%0.8SS**PPolyproline II helixtrans-66.7147.4-179.4-54.20000113.3
132P46.1Very low52Low129 Ų129133.1 Ų133.184%0.83881%0.805SS**PPolyproline II helixtrans-74.7134.6-179.330.2-34.5000112.7
133Q46.8Very low50.8Low175 Ų175133.1 Ų133.182%0.81881%0.805SS**PPolyproline II helixtrans-77.8147.4169.6-70-76.8-300110.9
134P45.9Very low49.7Very low116 Ų116133.1 Ų133.175%0.75381%0.805SS**PPolyproline II helixtrans-76.6144.2178.331.2-33.5000112.3
135L47.8Very low48.4Very low166 Ų166129.7 Ų129.787%0.86980%0.8SS**PPolyproline II helixtrans-81.1148177.6-70.1167.8000112
136P46.8Very low47.2Very low106 Ų106130.7 Ų130.769%0.68881%0.806SS**PPolyproline II helixtrans-73156.8177.131.1-35.5000112.6
137P47.5Very low46Very low129 Ų129134.7 Ų134.784%0.83881%0.811SS**PPolyproline II helixtrans-70136.6-178.429.1-34.8000111.9
138Q41.1Very low44.5Very low193 Ų193136.8 Ų136.890%0.90282%0.817SS**PPolyproline II helixtrans-77.9134.6176.8-63.2-170.211.200111.3
139A37.5Very low43.8Very low93 Ų93137.5 Ų137.577%0.76982%0.82SS**PPolyproline II helixtrans-70.8147.417500000111.7
140A42.3Very low42.7Very low104 Ų104136 Ų13686%0.8682%0.821SS**PPolyproline II helixtrans-67.7139-178.200000112.6
141V41.1Very low42.2Very low141 Ų141134.9 Ų134.986%0.85582%0.821SS**  trans-114.1132172.1-178.30000109.1
142M37.6Very low41.2Very low170 Ų170135.7 Ų135.784%0.83782%0.824SS**PPolyproline II helixtrans-77.7155.9-176.1-61.6-159.978.400112.9
143P44.4Very low40.7Very low124 Ų124135.2 Ų135.281%0.80582%0.824SS**PPolyproline II helixtrans-75139.9-17930.2-35.1000112.9
144A36.2Very low40.4Very low101 Ų101135.6 Ų135.684%0.83583%0.825SS**PPolyproline II helixtrans-87.2148.2174.800000112.6
145A40.7Very low40.4Very low91 Ų91135.6 Ų135.675%0.75283%0.825SS**PPolyproline II helixtrans-71.1154.8-175.400000114.3
146P43.4Very low40Very low127 Ų127133.9 Ų133.983%0.82582%0.824SS**PPolyproline II helixtrans-76.5136.2-175.430.6-35000113.1
147K37.7Very low39.3Very low210 Ų210134.6 Ų134.691%0.91383%0.831SS**PPolyproline II helixtrans-88.1143.8168.5-75.9-171175-1760111.4
148Q33.5Very low38.8Very low195 Ų195137.6 Ų137.691%0.91184%0.836SS**PPolyproline II helixtrans-71.5145.1-173.6-62.4167.42.600112.8
149T36.5Very low38.9Very low132 Ų132135.2 Ų135.281%0.8184%0.835SS**PPolyproline II helixtrans-91.1130.2171.5470000111.4
150P37Very low39Very low127 Ų127136.8 Ų136.883%0.82584%0.835SS**PPolyproline II helixtrans-76.2148.6164.731-32.1000111.7
151A36.7Very low38.9Very low92 Ų92141.9 Ų141.976%0.7683%0.832SS**PPolyproline II helixtrans-76.8160.1-174.800000113.9
152P38.2Very low39Very low129 Ų129141.1 Ų141.184%0.83883%0.83SS**PPolyproline II helixtrans-76.2134.5178.430.8-34.5000112.7
153S36Very low39.3Very low119 Ų119138.7 Ų138.783%0.83283%0.825SS**PPolyproline II helixtrans-76.4147.2171.4540000112.5
154E39.9Very low39.2Very low183 Ų183136 Ų13686%0.85582%0.819SS**PPolyproline II helixtrans-60.5155.5-174.5-64.7-172.310100115.5
155P45.5Very low39.3Very low115 Ų115140.3 Ų140.375%0.74782%0.822SS**PPolyproline II helixtrans-74.8140.717231.9-34.6000111.8
156P41.1Very low39.5Very low130 Ų130141.8 Ų141.884%0.84483%0.827SS**PPolyproline II helixtrans-70.6140.2179.127.9-34000112.8
157S31.8Very low39.5Very low121 Ų121144 Ų14485%0.84683%0.826SS**PPolyproline II helixtrans-64161.3-175-63.80000115.6V159S157-V159 PolarHBondContact O-N 3.32Å
158M37.1Very low39.8Very low192 Ų192142.3 Ų142.395%0.94683%0.827SS**PPolyproline II helixtrans-64.3121.5-175.3-52.1170.7-166.600111.8
159V42.4Very low40.3Very low143 Ų143139.5 Ų139.587%0.86782%0.818SS**PPolyproline II helixtrans-83.8131.4170.878.80000110.6S157S157-V159 PolarHBondContact O-N 3.32Å
160T38.9Very low41Very low127 Ų127138 Ų13878%0.77981%0.811SS**PPolyproline II helixtrans-71.5145.1-177.4270000112.7P162T160-P162 WeakPolarHBondContact O-CD 3.41Å
161R41.9Very low41.4Very low211 Ų211137.8 Ų137.880%0.79681%0.809SS**PPolyproline II helixtrans-66.1128.3172.9-91.7169.853.1-160.2-5111.6
162P41.6Very low41.9Very low124 Ų124138.9 Ų138.981%0.80581%0.807SS**PPolyproline II helixtrans-80.3142.1148.4-0.920.5000109.2T160T160-P162 WeakPolarHBondContact O-CD 3.41Å
163T44.1Very low42.7Very low119 Ų119137.9 Ų137.973%0.7380%0.798SS**PPolyproline II helixtrans-102.3124.6177.2-56.30000110.1
164G43.5Very low43.8Very low67 Ų67137.3 Ų137.369%0.69180%0.801SS**  trans89.8108.6159.900000117
165Q37.8Very low45.1Very low192 Ų192131.3 Ų131.390%0.89779%0.788SS**  -165.5144.2116.5-102.1170.433.700110.2
166S43.9Very low46.6Very low122 Ų122127.5 Ų127.585%0.85377%0.766SS**  trans-90.6113.9-173.7178.40000111.2
167Q43.8Very low48.8Very low173 Ų173125 Ų12581%0.80874%0.742SS**  trans-143144.7159.2-62.6-165.732.700109.9L169Q167-L169 PolarHBondContact O-N 3.19Å
168N44.3Very low51.5Low175 Ų175121.7 Ų121.794%0.93672%0.717SS**  trans-54.4126.3-168.7-79.8-86.7000114.1
169L44.8Very low54Low136 Ų136112.6 Ų112.671%0.71267%0.672SS**  trans-120.7132.1169.4-150.872.1000109.3Q167 T172Q167-L169 PolarHBondContact O-N 3.19Å; L169-T172 HydrophobicContact CD2-CG2 4.02Å
170P50.2Low56.1Low101 Ų101113.1 Ų113.166%0.65667%0.665SS**  trans-62155.9175.327.3-35.5000110.7T172P170-T172 PolarHBondContact O-N 3.35Å
171P45.8Very low58.3Low123 Ų123111.9 Ų111.980%0.79966%0.657SS**  trans-57.9105.9-166.122.4-34.4000112T173P171-T173 PolarHBondContact O-N 3.25Å
172T48.1Very low60.5Low115 Ų115104.1 Ų104.171%0.70663%0.634SS**  trans-67.395.3173.526.40000108.7L169 P170 A174L169-T172 HydrophobicContact CD2-CG2 4.02Å; P170-T172 PolarHBondContact O-N 3.35Å; T172-A174 VanDerWaalsContact C-N 3.26Å; T172-A174 PolarHBondContact O-N 3.36Å
173T54.1Low62.6Low108 Ų108103.8 Ų103.866%0.66362%0.622SS**  trans-63.890.9165.5340000108.5P171 G175 A176P171-T173 PolarHBondContact O-N 3.25Å; T173-G175 PolarHBondContact O-N 3.02Å; T173-G175 VanDerWaalsContact O-N 3.13Å; T173-A176 WeakPolarHBondContact O-CB 3.3Å; T173-A176 PolarHBondContact O-N 3.08Å
174A60Low64.6Low107 Ų107102.3 Ų102.388%0.88461%0.605SS**THydrogen-bonded Turntrans-55117.5174.200000109.1T172T172-A174 VanDerWaalsContact C-N 3.26Å; T172-A174 PolarHBondContact O-N 3.36Å
175G65.6Low66.8Low56 Ų56103.3 Ų103.358%0.57760%0.599SS**THydrogen-bonded Turntrans106.57.1-171.600000115.7T173 F177T173-G175 PolarHBondContact O-N 3.02Å; T173-G175 VanDerWaalsContact O-N 3.13Å; G175-F177 WeakPolarHBondContact O-CD2 3.5Å; G175-F177 VanDerWaalsContact O-CE2 3.22Å; G175-F177 WeakPolarHBondContact O-CE2 3.48Å
176A78.6Confident69.2Low35 Ų3596.3 Ų96.329%0.28957%0.565SS.*  trans-79.9131172.100000112.3T173 T185T173-A176 WeakPolarHBondContact O-CB 3.3Å; T173-A176 PolarHBondContact O-N 3.08Å; A176-T185 HydrophobicContact CB-CG2 3.48Å; A176-T185 VanDerWaalsContact CB-CG2 3.48Å
177F86.7Confident71.3Confident77 Ų7798.2 Ų98.234%0.33856%0.56SS.*EExtended strand (participates in β ladder)trans-97.5114.7-174-60.7-84.1000110.8G175 F186 F188 Q189 L192G175-F177 WeakPolarHBondContact O-CD2 3.5Å; G175-F177 VanDerWaalsContact O-CE2 3.22Å; G175-F177 WeakPolarHBondContact O-CE2 3.48Å; F177-F186 PolarHBondContact N-O 3.22Å; F177-F186 PolarHBondContact O-N 3.12Å; F177-F188 VanDerWaalsContact CD2-C 3.41Å; F177-Q189 HydrophobicContact CD1-CB 3.99Å; F177-Q189 HydrophobicContact CD2-CB 4.43Å; F177-Q189 HydrophobicContact CE1-CB 3.84Å; F177-Q189 HydrophobicContact CE1-CG 4.5Å; F177-Q189 HydrophobicContact CE2-CB 4.3Å; F177-Q189 HydrophobicContact CG-CB 4.27Å; F177-Q189 HydrophobicContact CZ-CB 4Å; F177-L192 HydrophobicContact CB-CB 4.1Å; F177-L192 HydrophobicContact CB-CD2 3.84Å
178V88.7Confident73.4Confident53 Ų5394.7 Ų94.732%0.32154%0.543SS..EExtended strand (participates in β ladder)trans-99.2138.8-173.1-172.30000111.7Q183 T185 L192V178-Q183 VanDerWaalsContact CG1-OE1 3.26Å; V178-T185 HydrophobicContact CG2-CG2 4.29Å; V178-L192 WeakPolarHBondContact O-CD2 3.4Å
179C88.5Confident75.4Confident0 Ų090.2 Ų90.20%052%0.516CS..  trans-83.2115173.5-1760000111.7V181 C182 Q183 K184 F186 L192 H195 H199C179-V181 PolarHBondContact O-N 3.05Å; C179-V181 VanDerWaalsContact O-N 3.14Å; C179-C182 PolarHBondContact O-N 3.48Å; C179-Q183 WeakPolarHBondContact O-CA 3.36Å; C179-Q183 PolarHBondContact O-N 3.18Å; C179-K184 PolarHBondContact N-O 3.06Å; C179-F186 HydrophobicContact CB-CE2 4.18Å; C179-L192 VanDerWaalsContact CA-CD1 3.48Å; C179-L192 HydrophobicContact CB-CD1 3.52Å; C179-H195 VanDerWaalsContact SG-CD2 3.52Å; C179-H195 PolarHBondContact SG-NE2 3.07Å; C179-H199 PolarHBondContact SG-NE2 2.96Å
180Q87.3Confident77.2Confident154 Ų15492 Ų9272%0.7251%0.514SS*.THydrogen-bonded Turntrans-64.1-21.5-178.1-58.9-61.5-0.300114.6Q183Q180-Q183 PolarHBondContact O-NE2 2.83Å
181V85.3Confident78.9Confident101 Ų10189.9 Ų89.961%0.61250%0.496SS*.THydrogen-bonded Turntrans-81.4-31.3-178.7-176.10000112.9C179 H199C179-V181 PolarHBondContact O-N 3.05Å; C179-V181 VanDerWaalsContact O-N 3.14Å; V181-H199 HydrophobicContact CG1-CB 4.17Å; V181-H199 HydrophobicContact CG2-CB 4.49Å
182C87.4Confident80.9Confident48 Ų4884.9 Ų84.932%0.32446%0.462SS..THydrogen-bonded Turntrans-140.412.5-175.373.30000114.7C179 K184 H195C179-C182 PolarHBondContact O-N 3.48Å; C182-K184 PolarHBondContact O-N 2.85Å; C182-H195 PolarHBondContact SG-NE2 2.85Å
183Q87.3Confident82.6Confident117 Ų11783.4 Ų83.455%0.54745%0.45SS..  trans52.123.1178-58.5-59.7-2600115.6V178 C179 Q180V178-Q183 VanDerWaalsContact CG1-OE1 3.26Å; C179-Q183 WeakPolarHBondContact O-CA 3.36Å; C179-Q183 PolarHBondContact O-N 3.18Å; Q180-Q183 PolarHBondContact O-NE2 2.83Å
184K85.9Confident83.9Confident88 Ų8883.7 Ų83.738%0.38344%0.439SS..  trans-77.7131.3174.4-70.5-178.8-174.9-179.30111.3C179 C182 F186C179-K184 PolarHBondContact N-O 3.06Å; C182-K184 PolarHBondContact O-N 2.85Å; K184-F186 HydrophobicContact CB-CE2 3.78Å; K184-F186 HydrophobicContact CB-CZ 3.99Å; K184-F186 VanDerWaalsContact O-CD2 3.31Å; K184-F186 WeakPolarHBondContact O-CD2 3.37Å; K184-F186 VanDerWaalsContact O-CE2 3.23Å; K184-F186 WeakPolarHBondContact O-CE2 3.37Å
185T89.6Confident85Confident89 Ų8980.1 Ų80.155%0.54640%0.404SS..EExtended strand (participates in β ladder)trans-95.5136-177.4-53.90000111.9A176 V178A176-T185 HydrophobicContact CB-CG2 3.48Å; A176-T185 VanDerWaalsContact CB-CG2 3.48Å; V178-T185 HydrophobicContact CG2-CG2 4.29Å
186F87.9Confident85.8Confident45 Ų4580.6 Ų80.620%0.19740%0.395CS..EExtended strand (participates in β ladder)trans-127.9143.4-177.6-62.3-86.8000111.7F177 C179 K184 F188 M191 L192 H195F177-F186 PolarHBondContact N-O 3.22Å; F177-F186 PolarHBondContact O-N 3.12Å; C179-F186 HydrophobicContact CB-CE2 4.18Å; K184-F186 HydrophobicContact CB-CE2 3.78Å; K184-F186 HydrophobicContact CB-CZ 3.99Å; K184-F186 VanDerWaalsContact O-CD2 3.31Å; K184-F186 WeakPolarHBondContact O-CD2 3.37Å; K184-F186 VanDerWaalsContact O-CE2 3.23Å; K184-F186 WeakPolarHBondContact O-CE2 3.37Å; F186-F188 VanDerWaalsContact C-N 3.29Å; F186-F188 PolarHBondContact O-N 3.32Å; F186-M191 HydrophobicContact CB-CB 4.17Å; F186-M191 HydrophobicContact CD1-CB 3.95Å; F186-M191 HydrophobicContact CG-CB 4.35Å; F186-L192 HydrophobicContact CB-CB 4.36Å; F186-L192 HydrophobicContact CD2-CB 4.1Å; F186-L192 HydrophobicContact CD2-CD1 3.92Å; F186-L192 HydrophobicContact CE2-CD1 4.15Å; F186-L192 HydrophobicContact CG-CB 4.39Å; F186-H195 HydrophobicContact CE1-CB 3.97Å; F186-H195 HydrophobicContact CE2-CB 3.97Å; F186-H195 AromaticContact CE2-CD2 3.35Å; F186-H195 WeakPolarHBondContact CE2-CD2 3.45Å; F186-H195 AromaticContact CE2-CG 3.67Å; F186-H195 HydrophobicContact CZ-CB 3.51Å; F186-H195 AromaticContact CZ-CD2 3.41Å; F186-H195 VanDerWaalsContact CZ-CD2 3.41Å; F186-H195 WeakPolarHBondContact CZ-CD2 3.44Å; F186-H195 AromaticContact CZ-CG 3.24Å; F186-H195 AromaticContact CZ-ND1 3.84Å
187Q87.8Confident85.8Confident161 Ų16183.9 Ų83.975%0.75240%0.403SS*.SBendtrans-72.4-15.5179-68.7-178.5-14.400114.6
188F87.8Confident85.3Confident100 Ų10083.3 Ų83.344%0.43941%0.408SS..SBendtrans-145.1139.5-177-55.2-73.3000111.7F177 F186 R190 M191 L192F177-F188 VanDerWaalsContact CD2-C 3.41Å; F186-F188 VanDerWaalsContact C-N 3.29Å; F186-F188 PolarHBondContact O-N 3.32Å; F188-R190 HydrophobicContact CB-CG 3.93Å; F188-R190 PolarHBondContact O-N 2.9Å; F188-R190 VanDerWaalsContact O-N 3.15Å; F188-M191 HydrophobicContact CB-CG 4.2Å; F188-M191 HydrophobicContact CD2-CG 4.36Å; F188-M191 WeakPolarHBondContact O-CA 3.41Å; F188-M191 WeakPolarHBondContact O-CB 3.18Å; F188-M191 PolarHBondContact O-N 3.2Å; F188-L192 PolarHBondContact O-N 2.96Å
189Q85.9Confident84.8Confident81 Ų8183.4 Ų83.438%0.37941%0.405SS..Hα-helixtrans-54.2-36.9177.5-174.362.47.900113.1F177 M191 L192 N193F177-Q189 HydrophobicContact CD1-CB 3.99Å; F177-Q189 HydrophobicContact CD2-CB 4.43Å; F177-Q189 HydrophobicContact CE1-CB 3.84Å; F177-Q189 HydrophobicContact CE1-CG 4.5Å; F177-Q189 HydrophobicContact CE2-CB 4.3Å; F177-Q189 HydrophobicContact CG-CB 4.27Å; F177-Q189 HydrophobicContact CZ-CB 4Å; Q189-M191 PolarHBondContact O-N 3.32Å; Q189-L192 PolarHBondContact O-N 3.29Å; Q189-N193 PolarHBondContact NE2-OD1 2.91Å; Q189-N193 WeakPolarHBondContact O-CB 3.5Å; Q189-N193 PolarHBondContact O-N 3.34Å
190R83.6Confident83.8Confident173 Ų17385.6 Ų85.665%0.65342%0.42SS*.Hα-helixtrans-59.3-32.1174.966.6-179.5176.3162.2-2.1113.6F188 R194F188-R190 HydrophobicContact CB-CG 3.93Å; F188-R190 PolarHBondContact O-N 2.9Å; F188-R190 VanDerWaalsContact O-N 3.15Å; R190-R194 PolarHBondContact O-N 3.25Å
191M85.7Confident82.8Confident57 Ų5783.9 Ų83.928%0.28142%0.416SS..Hα-helixtrans-77.6-41.1178-60.9-62.2174.500110.5F186 F188 Q189 R194 H195F186-M191 HydrophobicContact CB-CB 4.17Å; F186-M191 HydrophobicContact CD1-CB 3.95Å; F186-M191 HydrophobicContact CG-CB 4.35Å; F188-M191 HydrophobicContact CB-CG 4.2Å; F188-M191 HydrophobicContact CD2-CG 4.36Å; F188-M191 WeakPolarHBondContact O-CA 3.41Å; F188-M191 WeakPolarHBondContact O-CB 3.18Å; F188-M191 PolarHBondContact O-N 3.2Å; Q189-M191 PolarHBondContact O-N 3.32Å; M191-R194 PolarHBondContact O-N 2.92Å; M191-R194 PolarHBondContact SD-NH2 2.86Å; M191-H195 WeakPolarHBondContact O-CB 3.27Å; M191-H195 PolarHBondContact O-N 2.92Å
192L86.8Confident81.6Confident17 Ų1783.1 Ų83.19%0.08941%0.411CS..Hα-helixtrans-60.1-51.2171.7174.558.9000111.1F177 V178 C179 F186 F188 Q189 R194 H195 V196F177-L192 HydrophobicContact CB-CB 4.1Å; F177-L192 HydrophobicContact CB-CD2 3.84Å; V178-L192 WeakPolarHBondContact O-CD2 3.4Å; C179-L192 VanDerWaalsContact CA-CD1 3.48Å; C179-L192 HydrophobicContact CB-CD1 3.52Å; F186-L192 HydrophobicContact CB-CB 4.36Å; F186-L192 HydrophobicContact CD2-CB 4.1Å; F186-L192 HydrophobicContact CD2-CD1 3.92Å; F186-L192 HydrophobicContact CE2-CD1 4.15Å; F186-L192 HydrophobicContact CG-CB 4.39Å; F188-L192 PolarHBondContact O-N 2.96Å; Q189-L192 PolarHBondContact O-N 3.29Å; L192-R194 VanDerWaalsContact C-N 3.3Å; L192-R194 PolarHBondContact O-N 3.46Å; L192-H195 CarbonylContact O-C 3.27Å; L192-H195 WeakPolarHBondContact O-CA 3.47Å; L192-H195 WeakPolarHBondContact O-CB 3.46Å; L192-H195 PolarHBondContact O-N 2.96Å; L192-V196 HydrophobicContact CD1-CG2 3.74Å; L192-V196 HydrophobicContact CG-CG2 4.22Å; L192-V196 WeakPolarHBondContact O-CG2 3.49Å; L192-V196 PolarHBondContact O-N 3.44Å
193N83.8Confident80.7Confident85 Ų8586 Ų8646%0.45542%0.419SS..Hα-helixtrans-57-40.4178.8-74.3-4.2000112.4Q189 K197Q189-N193 PolarHBondContact NE2-OD1 2.91Å; Q189-N193 WeakPolarHBondContact O-CB 3.5Å; Q189-N193 PolarHBondContact O-N 3.34Å; N193-K197 WeakPolarHBondContact O-CG 3.43Å
194R81.1Confident80Confident113 Ų11390.2 Ų90.243%0.42643%0.429SS..Hα-helixtrans-68.8-37.1173.8-174-178.562.7-173-2.3112.1R190 M191 L192R190-R194 PolarHBondContact O-N 3.25Å; M191-R194 PolarHBondContact O-N 2.92Å; M191-R194 PolarHBondContact SD-NH2 2.86Å; L192-R194 VanDerWaalsContact C-N 3.3Å; L192-R194 PolarHBondContact O-N 3.46Å
195H83.5Confident79.8Confident33 Ų3388.9 Ų88.915%0.15342%0.424CS..Hα-helixtrans-68.9-39.9177.5169.763.3000112.6C179 C182 F186 M191 L192 K197 C198 H199C179-H195 VanDerWaalsContact SG-CD2 3.52Å; C179-H195 PolarHBondContact SG-NE2 3.07Å; C182-H195 PolarHBondContact SG-NE2 2.85Å; F186-H195 HydrophobicContact CE1-CB 3.97Å; F186-H195 HydrophobicContact CE2-CB 3.97Å; F186-H195 AromaticContact CE2-CD2 3.35Å; F186-H195 WeakPolarHBondContact CE2-CD2 3.45Å; F186-H195 AromaticContact CE2-CG 3.67Å; F186-H195 HydrophobicContact CZ-CB 3.51Å; F186-H195 AromaticContact CZ-CD2 3.41Å; F186-H195 VanDerWaalsContact CZ-CD2 3.41Å; F186-H195 WeakPolarHBondContact CZ-CD2 3.44Å; F186-H195 AromaticContact CZ-CG 3.24Å; F186-H195 AromaticContact CZ-ND1 3.84Å; M191-H195 WeakPolarHBondContact O-CB 3.27Å; M191-H195 PolarHBondContact O-N 2.92Å; L192-H195 CarbonylContact O-C 3.27Å; L192-H195 WeakPolarHBondContact O-CA 3.47Å; L192-H195 WeakPolarHBondContact O-CB 3.46Å; L192-H195 PolarHBondContact O-N 2.96Å; H195-K197 PolarHBondContact O-N 3.2Å; H195-C198 WeakPolarHBondContact O-CA 3.31Å; H195-C198 WeakPolarHBondContact O-CB 3.29Å; H195-C198 PolarHBondContact O-N 3.28Å; H195-H199 AromaticContact CD2-NE2 3.87Å; H195-H199 AromaticContact CE1-CE1 3.81Å; H195-H199 AromaticContact CE1-NE2 3.51Å; H195-H199 AromaticContact NE2-CE1 3.73Å; H195-H199 AromaticContact NE2-NE2 3.06Å; H195-H199 PolarHBondContact NE2-NE2 2.92Å
196V82.9Confident79.5Confident65 Ų6589.9 Ų89.939%0.39443%0.426SS..Hα-helixtrans-61-33.1177.8172.70000111.5L192 C198 H199L192-V196 HydrophobicContact CD1-CG2 3.74Å; L192-V196 HydrophobicContact CG-CG2 4.22Å; L192-V196 WeakPolarHBondContact O-CG2 3.49Å; L192-V196 PolarHBondContact O-N 3.44Å; V196-C198 PolarHBondContact O-N 3.28Å; V196-H199 PolarHBondContact O-N 2.8Å
197K79.1Confident79.5Confident105 Ų10587.9 Ų87.946%0.45742%0.417SS..THydrogen-bonded Turntrans-60.7-14.2170.7-64.5175.2179.9-174.60114.2N193 H195 S200 N215N193-K197 WeakPolarHBondContact O-CG 3.43Å; H195-K197 PolarHBondContact O-N 3.2Å; K197-S200 WeakPolarHBondContact CA-OG 3.43Å; K197-S200 PolarHBondContact O-OG 3.15Å; K197-N215 HydrophobicContact CB-CB 4.03Å; K197-N215 VanDerWaalsContact O-CG 3.29Å; K197-N215 PolarHBondContact O-ND2 3.06Å
198C75.9Confident79.4Confident65 Ų6586.5 Ų86.544%0.43942%0.42SS..THydrogen-bonded Turntrans-76.6-23.7172.4-162.50000113.2H195 V196 N215H195-C198 WeakPolarHBondContact O-CA 3.31Å; H195-C198 WeakPolarHBondContact O-CB 3.29Å; H195-C198 PolarHBondContact O-N 3.28Å; V196-C198 PolarHBondContact O-N 3.28Å; C198-N215 WeakPolarHBondContact CA-ND2 3.44Å
199H78.3Confident79.1Confident55 Ų5587.4 Ų87.426%0.25542%0.424SS..THydrogen-bonded Turntrans-86.5-18.8175.5-54.8-53.7000112.4C179 V181 H195 V196C179-H199 PolarHBondContact SG-NE2 2.96Å; V181-H199 HydrophobicContact CG1-CB 4.17Å; V181-H199 HydrophobicContact CG2-CB 4.49Å; H195-H199 AromaticContact CD2-NE2 3.87Å; H195-H199 AromaticContact CE1-CE1 3.81Å; H195-H199 AromaticContact CE1-NE2 3.51Å; H195-H199 AromaticContact NE2-CE1 3.73Å; H195-H199 AromaticContact NE2-NE2 3.06Å; H195-H199 PolarHBondContact NE2-NE2 2.92Å; V196-H199 PolarHBondContact O-N 2.8Å
200S67.9Low79.1Confident46 Ų4686.1 Ų86.132%0.32242%0.423SS..SBendtrans-86115.1168.461.10000110K197 T202K197-S200 WeakPolarHBondContact CA-OG 3.43Å; K197-S200 PolarHBondContact O-OG 3.15Å; S200-T202 PolarHBondContact O-N 3.21Å
201D64.4Low78.9Confident117 Ų11780.4 Ų80.463%0.62642%0.418SS*.  trans-64-5.2176.4-71.8-63.2000114.5K203D201-K203 PolarHBondContact O-N 3.26Å
202T61.7Low78.7Confident85 Ų8584.1 Ų84.152%0.52143%0.433SS..  trans-69.471.5172.864.30000112.8S200 R204S200-T202 PolarHBondContact O-N 3.21Å; T202-R204 VanDerWaalsContact C-N 3.33Å; T202-R204 VanDerWaalsContact O-CG 3.3Å; T202-R204 WeakPolarHBondContact O-CG 3.37Å; T202-R204 PolarHBondContact O-N 2.8Å
203K68Low78.4Confident110 Ų11084.3 Ų84.348%0.47844%0.439SS..  trans-67.485.6170.7-77.8158.9176.3157.80111.1D201 H205 G213 F214 N215D201-K203 PolarHBondContact O-N 3.26Å; K203-H205 PolarHBondContact O-N 2.99Å; K203-H205 VanDerWaalsContact O-N 3.14Å; K203-G213 WeakPolarHBondContact CD-O 3.26Å; K203-F214 CarbonylContact C-O 3.54Å; K203-N215 VanDerWaalsContact CG-OD1 3.26Å; K203-N215 WeakPolarHBondContact CG-OD1 3.45Å
204R73.4Confident78.4Confident204 Ų20482.3 Ų82.377%0.7743%0.426SS*.  trans-64.7-16.2-172.3-54.3-169.8-176.1-172.5-3115.4T202 F214T202-R204 VanDerWaalsContact C-N 3.33Å; T202-R204 VanDerWaalsContact O-CG 3.3Å; T202-R204 WeakPolarHBondContact O-CG 3.37Å; T202-R204 PolarHBondContact O-N 2.8Å; R204-F214 PolarHBondContact N-O 3.09Å
205H80.3Confident78.3Confident60 Ų6078.5 Ų78.528%0.27841%0.414SS..EExtended strand (participates in β ladder)trans-120.595.1-173.5-57.1-56.8000111.2K203 G213 F214 T217 L220K203-H205 PolarHBondContact O-N 2.99Å; K203-H205 VanDerWaalsContact O-N 3.14Å; H205-G213 CarbonylContact O-C 3.59Å; H205-F214 HydrophobicContact CB-CB 4.39Å; H205-F214 WeakPolarHBondContact CB-O 3.26Å; H205-F214 PolarHBondContact N-O 3.32Å; H205-F214 PolarHBondContact O-N 3.44Å; H205-T217 PolarHBondContact CD2-N 3.46Å; H205-T217 VanDerWaalsContact CE1-CG2 3.41Å; H205-T217 WeakPolarHBondContact CE1-CG2 3.45Å; H205-L220 HydrophobicContact CB-CB 4.28Å; H205-L220 HydrophobicContact CB-CD2 3.87Å
206L84.2Confident78.2Confident111 Ų11179 Ų7958%0.58142%0.418SS*.EExtended strand (participates in β ladder)trans-83.8145.4-179.5-55.2-176.2000112L220L206-L220 WeakPolarHBondContact O-CD2 3.32Å
207C87.3Confident78.2Confident3 Ų380 Ų802%0.0242%0.424CS..  trans-84.2119.5173.2-173.40000111.4F209 C210 G211 K212 F214 L220 H223C207-F209 PolarHBondContact O-N 3.47Å; C207-C210 PolarHBondContact O-N 3.12Å; C207-G211 WeakPolarHBondContact O-CA 3.42Å; C207-G211 PolarHBondContact O-N 3.29Å; C207-K212 HydrophobicContact CB-CB 4.45Å; C207-K212 WeakPolarHBondContact CB-O 3.45Å; C207-K212 PolarHBondContact N-O 3.17Å; C207-F214 HydrophobicContact CB-CE2 4.24Å; C207-L220 HydrophobicContact CB-CD1 3.73Å; C207-H223 PolarHBondContact SG-CD2 3.24Å; C207-H223 PolarHBondContact SG-NE2 3.3Å; C207-H223 VanDerWaalsContact SG-NE2 3.41Å
208T85.5Confident78.5Confident131 Ų13181 Ų8180%0.80443%0.429SS*.THydrogen-bonded Turntrans-59.4-27.5178.851.50000113.9
209F82.6Confident78.9Confident120 Ų12079.4 Ų79.453%0.52642%0.416SS..THydrogen-bonded Turntrans-84.2-19.1-178.4-65.4-85.4000114.6C207 V224 H227 T228C207-F209 PolarHBondContact O-N 3.47Å; F209-V224 HydrophobicContact CD2-CG1 4.4Å; F209-V224 HydrophobicContact CE2-CG1 3.87Å; F209-H227 HydrophobicContact CB-CB 4.2Å; F209-H227 VanDerWaalsContact CB-CD2 3.5Å; F209-H227 WeakPolarHBondContact CB-CD2 3.42Å; F209-H227 HydrophobicContact CD1-CB 4.17Å; F209-H227 HydrophobicContact CD2-CB 4.15Å; F209-H227 HydrophobicContact CG-CB 3.91Å; F209-H227 AromaticContact CG-CD2 3.93Å; F209-H227 AromaticContact CG-CG 3.91Å; F209-T228 HydrophobicContact CZ-CG2 4.2Å
210C84.8Confident79.3Confident54 Ų5478.3 Ų78.337%0.36541%0.412SS..THydrogen-bonded Turntrans-156.814.3-172.368.20000115.9C207 K212 H223 H227C207-C210 PolarHBondContact O-N 3.12Å; C210-K212 PolarHBondContact O-N 2.64Å; C210-H223 PolarHBondContact SG-NE2 3.18Å; C210-H227 PolarHBondContact SG-NE2 3.37Å
211G79.6Confident80.3Confident53 Ų5381.3 Ų81.355%0.54642%0.419SS..  trans67.2-10179.200000116.1C207 G213C207-G211 WeakPolarHBondContact O-CA 3.42Å; C207-G211 PolarHBondContact O-N 3.29Å; G211-G213 PolarHBondContact O-N 3.14Å
212K81.6Confident81.4Confident134 Ų13479.7 Ų79.758%0.58341%0.405SS*.  trans-61.8122.9-174.2-72-175.4178.7-178.10111.8C207 C210 F214C207-K212 HydrophobicContact CB-CB 4.45Å; C207-K212 WeakPolarHBondContact CB-O 3.45Å; C207-K212 PolarHBondContact N-O 3.17Å; C210-K212 PolarHBondContact O-N 2.64Å; K212-F214 HydrophobicContact CB-CE2 3.99Å; K212-F214 HydrophobicContact CB-CZ 4.36Å; K212-F214 VanDerWaalsContact O-CD2 3.27Å; K212-F214 WeakPolarHBondContact O-CD2 3.41Å; K212-F214 WeakPolarHBondContact O-CE2 3.33Å
213G81.5Confident82.6Confident21 Ų2177.1 Ų77.122%0.21639%0.386CS..EExtended strand (participates in β ladder)trans-86.8142.8179.100000114.6K203 H205 G211K203-G213 WeakPolarHBondContact CD-O 3.26Å; H205-G213 CarbonylContact O-C 3.59Å; G211-G213 PolarHBondContact O-N 3.14Å
214F82.9Confident83.6Confident43 Ų4373 Ų7319%0.18937%0.371CS..EExtended strand (participates in β ladder)trans-128.5155.3179.1-62.3-91.3000111.1K203 R204 H205 C207 K212 D219 L220 H223K203-F214 CarbonylContact C-O 3.54Å; R204-F214 PolarHBondContact N-O 3.09Å; H205-F214 HydrophobicContact CB-CB 4.39Å; H205-F214 WeakPolarHBondContact CB-O 3.26Å; H205-F214 PolarHBondContact N-O 3.32Å; H205-F214 PolarHBondContact O-N 3.44Å; C207-F214 HydrophobicContact CB-CE2 4.24Å; K212-F214 HydrophobicContact CB-CE2 3.99Å; K212-F214 HydrophobicContact CB-CZ 4.36Å; K212-F214 VanDerWaalsContact O-CD2 3.27Å; K212-F214 WeakPolarHBondContact O-CD2 3.41Å; K212-F214 WeakPolarHBondContact O-CE2 3.33Å; F214-D219 HydrophobicContact CD1-CB 4.01Å; F214-L220 HydrophobicContact CB-CB 4.16Å; F214-L220 HydrophobicContact CD2-CB 4.02Å; F214-L220 HydrophobicContact CD2-CD1 3.83Å; F214-L220 HydrophobicContact CE2-CD1 4.11Å; F214-L220 HydrophobicContact CG-CB 4.17Å; F214-H223 HydrophobicContact CE1-CB 3.9Å; F214-H223 HydrophobicContact CE2-CB 3.96Å; F214-H223 AromaticContact CE2-CD2 3.29Å; F214-H223 WeakPolarHBondContact CE2-CD2 3.48Å; F214-H223 AromaticContact CE2-CG 3.76Å; F214-H223 HydrophobicContact CZ-CB 3.45Å; F214-H223 VanDerWaalsContact CZ-CB 3.45Å; F214-H223 AromaticContact CZ-CD2 3.31Å; F214-H223 WeakPolarHBondContact CZ-CD2 3.23Å; F214-H223 AromaticContact CZ-CG 3.31Å
215N79.9Confident84.4Confident34 Ų3466.1 Ų66.118%0.18235%0.345CS..SBendtrans-93.9-5.5-177.7-61.7-17.8000113.4K197 C198 K203K197-N215 HydrophobicContact CB-CB 4.03Å; K197-N215 VanDerWaalsContact O-CG 3.29Å; K197-N215 PolarHBondContact O-ND2 3.06Å; C198-N215 WeakPolarHBondContact CA-ND2 3.44Å; K203-N215 VanDerWaalsContact CG-OD1 3.26Å; K203-N215 WeakPolarHBondContact CG-OD1 3.45Å
216D80.4Confident84.7Confident42 Ų4267.5 Ų67.523%0.22536%0.358CS..SBendtrans-144.7138.2-178.2-167.5-23.3000109.5F218 D219 L220D216-F218 PolarHBondContact O-N 2.86Å; D216-F218 PolarHBondContact OD1-N 2.74Å; D216-D219 HydrophobicContact CB-CB 4.35Å; D216-D219 PolarHBondContact O-N 3.3Å; D216-L220 PolarHBondContact O-N 3.14Å; D216-L220 VanDerWaalsContact O-N 3.15Å
217T83.6Confident84.8Confident86 Ų8666 Ų6653%0.52835%0.348SS..Hα-helixtrans-62.1-31.4174.958.80000111.7H205 L220 K221H205-T217 PolarHBondContact CD2-N 3.46Å; H205-T217 VanDerWaalsContact CE1-CG2 3.41Å; H205-T217 WeakPolarHBondContact CE1-CG2 3.45Å; T217-L220 PolarHBondContact O-N 3.23Å; T217-K221 WeakPolarHBondContact O-CB 3.41Å; T217-K221 PolarHBondContact O-N 3.33Å
218F84.6Confident84.7Confident126 Ų12669.2 Ų69.255%0.55337%0.367SS*.Hα-helixtrans-64.9-42.8176.4-179.4-92.8000111.8D216 K221 R222D216-F218 PolarHBondContact O-N 2.86Å; D216-F218 PolarHBondContact OD1-N 2.74Å; F218-K221 PolarHBondContact O-N 3.14Å; F218-R222 WeakPolarHBondContact O-CB 3.35Å; F218-R222 PolarHBondContact O-N 2.86Å
219D83.8Confident84.7Confident33 Ų3365.3 Ų65.318%0.17635%0.353CS..Hα-helixtrans-69.1-38.5179.2-71.4-35.1000111.1F214 D216 R222 H223F214-D219 HydrophobicContact CD1-CB 4.01Å; D216-D219 HydrophobicContact CB-CB 4.35Å; D216-D219 PolarHBondContact O-N 3.3Å; D219-R222 PolarHBondContact O-N 3.33Å; D219-R222 IonicContact OD1-CZ 3.14Å; D219-R222 IonicContact OD1-NH1 3.14Å; D219-R222 PolarHBondContact OD1-NH1 2.81Å; D219-R222 VanDerWaalsContact OD1-NH1 3.14Å; D219-R222 IonicContact OD1-NH2 2.64Å; D219-R222 PolarHBondContact OD1-NH2 3.32Å; D219-H223 WeakPolarHBondContact O-CB 3.43Å; D219-H223 PolarHBondContact O-N 2.9Å
220L88Confident84.9Confident32 Ų3263.4 Ų63.417%0.16835%0.351CS..Hα-helixtrans-61.5-51.1169.917359.8000111.8H205 L206 C207 F214 D216 T217 R222 H223 V224H205-L220 HydrophobicContact CB-CB 4.28Å; H205-L220 HydrophobicContact CB-CD2 3.87Å; L206-L220 WeakPolarHBondContact O-CD2 3.32Å; C207-L220 HydrophobicContact CB-CD1 3.73Å; F214-L220 HydrophobicContact CB-CB 4.16Å; F214-L220 HydrophobicContact CD2-CB 4.02Å; F214-L220 HydrophobicContact CD2-CD1 3.83Å; F214-L220 HydrophobicContact CE2-CD1 4.11Å; F214-L220 HydrophobicContact CG-CB 4.17Å; D216-L220 PolarHBondContact O-N 3.14Å; D216-L220 VanDerWaalsContact O-N 3.15Å; T217-L220 PolarHBondContact O-N 3.23Å; L220-R222 PolarHBondContact O-N 3.35Å; L220-H223 CarbonylContact O-C 3.5Å; L220-H223 WeakPolarHBondContact O-CA 3.43Å; L220-H223 WeakPolarHBondContact O-CB 3.02Å; L220-H223 PolarHBondContact O-N 2.79Å; L220-V224 HydrophobicContact CD1-CG2 3.98Å; L220-V224 HydrophobicContact CG-CG2 4.45Å; L220-V224 WeakPolarHBondContact O-CG2 3.31Å; L220-V224 PolarHBondContact O-N 3.27Å
221K87.8Confident85.1Confident108 Ų10867.2 Ų67.247%0.4736%0.358SS..Hα-helixtrans-62.2-31.3-179.9-167.3168.2-170.5169.10111.9T217 F218T217-K221 WeakPolarHBondContact O-CB 3.41Å; T217-K221 PolarHBondContact O-N 3.33Å; F218-K221 PolarHBondContact O-N 3.14Å
222R87.3Confident85.4Confident84 Ų8468 Ų6832%0.31735%0.353SS..Hα-helixtrans-70.4-39.9170.3-175.5-178.167.8-143.4-12.7112F218 D219 L220 R225 Q244F218-R222 WeakPolarHBondContact O-CB 3.35Å; F218-R222 PolarHBondContact O-N 2.86Å; D219-R222 PolarHBondContact O-N 3.33Å; D219-R222 IonicContact OD1-CZ 3.14Å; D219-R222 IonicContact OD1-NH1 3.14Å; D219-R222 PolarHBondContact OD1-NH1 2.81Å; D219-R222 VanDerWaalsContact OD1-NH1 3.14Å; D219-R222 IonicContact OD1-NH2 2.64Å; D219-R222 PolarHBondContact OD1-NH2 3.32Å; L220-R222 PolarHBondContact O-N 3.35Å; R222-R225 WeakPolarHBondContact O-CB 3.15Å; R222-R225 PolarHBondContact O-N 3.42Å; R222-Q244 HydrophobicContact CG-CG 4.29Å
223H87.9Confident85.9Confident30 Ų3064.4 Ų64.414%0.13934%0.336CS..Hα-helixtrans-66.6-41.8176.5171.850.6000112.6C207 C210 F214 D219 L220 R225 T226 H227C207-H223 PolarHBondContact SG-CD2 3.24Å; C207-H223 PolarHBondContact SG-NE2 3.3Å; C207-H223 VanDerWaalsContact SG-NE2 3.41Å; C210-H223 PolarHBondContact SG-NE2 3.18Å; F214-H223 HydrophobicContact CE1-CB 3.9Å; F214-H223 HydrophobicContact CE2-CB 3.96Å; F214-H223 AromaticContact CE2-CD2 3.29Å; F214-H223 WeakPolarHBondContact CE2-CD2 3.48Å; F214-H223 AromaticContact CE2-CG 3.76Å; F214-H223 HydrophobicContact CZ-CB 3.45Å; F214-H223 VanDerWaalsContact CZ-CB 3.45Å; F214-H223 AromaticContact CZ-CD2 3.31Å; F214-H223 WeakPolarHBondContact CZ-CD2 3.23Å; F214-H223 AromaticContact CZ-CG 3.31Å; D219-H223 WeakPolarHBondContact O-CB 3.43Å; D219-H223 PolarHBondContact O-N 2.9Å; L220-H223 CarbonylContact O-C 3.5Å; L220-H223 WeakPolarHBondContact O-CA 3.43Å; L220-H223 WeakPolarHBondContact O-CB 3.02Å; L220-H223 PolarHBondContact O-N 2.79Å; H223-R225 PolarHBondContact O-N 3.24Å; H223-T226 PolarHBondContact ND1-OG1 3.37Å; H223-T226 WeakPolarHBondContact O-CB 3.37Å; H223-T226 PolarHBondContact O-N 2.77Å; H223-T226 PolarHBondContact O-OG1 2.8Å; H223-H227 AromaticContact CE1-CD2 3.94Å; H223-H227 AromaticContact CE1-NE2 3.32Å; H223-H227 PolarHBondContact CE1-NE2 2.91Å; H223-H227 VanDerWaalsContact CE1-NE2 3.32Å; H223-H227 AromaticContact NE2-CD2 3.78Å; H223-H227 AromaticContact NE2-NE2 3.12Å; H223-H227 PolarHBondContact NE2-NE2 3.19Å; H223-H227 VanDerWaalsContact NE2-NE2 3.12Å
224V88.2Confident86.2Confident25 Ų2571.2 Ų71.215%0.15236%0.36CS..Hα-helixtrans-55.4-29.5178.2169.20000112.5F209 L220 T226 H227 T228F209-V224 HydrophobicContact CD2-CG1 4.4Å; F209-V224 HydrophobicContact CE2-CG1 3.87Å; L220-V224 HydrophobicContact CD1-CG2 3.98Å; L220-V224 HydrophobicContact CG-CG2 4.45Å; L220-V224 WeakPolarHBondContact O-CG2 3.31Å; L220-V224 PolarHBondContact O-N 3.27Å; V224-T226 PolarHBondContact O-N 3.36Å; V224-H227 PolarHBondContact O-N 3.36Å; V224-T228 HydrophobicContact CG1-CG2 4.13Å; V224-T228 PolarHBondContact O-N 2.9Å; V224-T228 VanDerWaalsContact O-N 3.08Å; V224-T228 PolarHBondContact O-OG1 2.95Å
225R90.6Very high86.4Confident58 Ų5869.8 Ų69.822%0.21936%0.355CS..Hα-helixtrans-62.9-17.8173.3-60.3174.7-172.4175.1-0.2114.4R222 H223 G229 T243R222-R225 WeakPolarHBondContact O-CB 3.15Å; R222-R225 PolarHBondContact O-N 3.42Å; H223-R225 PolarHBondContact O-N 3.24Å; R225-G229 PolarHBondContact O-N 2.68Å; R225-T243 HydrophobicContact CB-CG2 4.47Å; R225-T243 PolarHBondContact NH1-O 2.89Å
226T86.2Confident86.7Confident90 Ų9073.3 Ų73.355%0.55238%0.382SS*.Hα-helixtrans-78.8-26.2173.969.20000112.3H223 V224H223-T226 PolarHBondContact ND1-OG1 3.37Å; H223-T226 WeakPolarHBondContact O-CB 3.37Å; H223-T226 PolarHBondContact O-N 2.77Å; H223-T226 PolarHBondContact O-OG1 2.8Å; V224-T226 PolarHBondContact O-N 3.36Å
227H86Confident86.8Confident80 Ų8074.5 Ų74.537%0.3739%0.388SS..Hα-helixtrans-84.6-46175.5-63.5-63.4000111.3F209 C210 H223 V224 G229F209-H227 HydrophobicContact CB-CB 4.2Å; F209-H227 VanDerWaalsContact CB-CD2 3.5Å; F209-H227 WeakPolarHBondContact CB-CD2 3.42Å; F209-H227 HydrophobicContact CD1-CB 4.17Å; F209-H227 HydrophobicContact CD2-CB 4.15Å; F209-H227 HydrophobicContact CG-CB 3.91Å; F209-H227 AromaticContact CG-CD2 3.93Å; F209-H227 AromaticContact CG-CG 3.91Å; C210-H227 PolarHBondContact SG-NE2 3.37Å; H223-H227 AromaticContact CE1-CD2 3.94Å; H223-H227 AromaticContact CE1-NE2 3.32Å; H223-H227 PolarHBondContact CE1-NE2 2.91Å; H223-H227 VanDerWaalsContact CE1-NE2 3.32Å; H223-H227 AromaticContact NE2-CD2 3.78Å; H223-H227 AromaticContact NE2-NE2 3.12Å; H223-H227 PolarHBondContact NE2-NE2 3.19Å; H223-H227 VanDerWaalsContact NE2-NE2 3.12Å; V224-H227 PolarHBondContact O-N 3.36Å; H227-G229 VanDerWaalsContact C-N 3.26Å; H227-G229 PolarHBondContact O-N 3.12Å
228T85.9Confident86.9Confident70 Ų7072.3 Ų72.343%0.42938%0.376SS..SBendtrans-78.9-6.3-178.959.40000114.1F209 V224 V230F209-T228 HydrophobicContact CZ-CG2 4.2Å; V224-T228 HydrophobicContact CG1-CG2 4.13Å; V224-T228 PolarHBondContact O-N 2.9Å; V224-T228 VanDerWaalsContact O-N 3.08Å; V224-T228 PolarHBondContact O-OG1 2.95Å; T228-V230 PolarHBondContact O-N 3.05Å; T228-V230 WeakPolarHBondContact OG1-CG2 3.39Å
229G84.8Confident87Confident49 Ų4974.4 Ų74.451%0.50539%0.393SS..  trans65.14.4-178.100000115.3R225 H227 R231R225-G229 PolarHBondContact O-N 2.68Å; H227-G229 VanDerWaalsContact C-N 3.26Å; H227-G229 PolarHBondContact O-N 3.12Å; G229-R231 WeakPolarHBondContact O-CG 3.22Å; G229-R231 PolarHBondContact O-N 2.8Å
230V87.6Confident87.1Confident80 Ų8079.1 Ų79.149%0.48541%0.412SS..  trans-68.1117.7-172.6178.70000110.9T228 P232T228-V230 PolarHBondContact O-N 3.05Å; T228-V230 WeakPolarHBondContact OG1-CG2 3.39Å; V230-P232 VanDerWaalsContact O-CD 3.26Å; V230-P232 WeakPolarHBondContact O-CD 3.34Å
231R88.3Confident87.3Confident134 Ų13478.5 Ų78.551%0.50641%0.411SS..  trans-11680.2-176.8-69.4164.188.4130.83110.3G229 Y233 A241 F242 T243G229-R231 WeakPolarHBondContact O-CG 3.22Å; G229-R231 PolarHBondContact O-N 2.8Å; R231-Y233 VanDerWaalsContact C-N 3.26Å; R231-Y233 PolarHBondContact O-N 3Å; R231-A241 HydrophobicContact CB-CB 3.58Å; R231-A241 PolarHBondContact NE-O 3.47Å; R231-A241 PolarHBondContact NH2-O 3.49Å; R231-F242 CarbonylContact C-O 3.59Å; R231-F242 VanDerWaalsContact C-O 3.3Å; R231-F242 WeakPolarHBondContact CA-O 3.2Å; R231-T243 HydrophobicContact CG-CG2 3.75Å
232P87.3Confident87.3Confident69 Ų6974.9 Ų74.945%0.44840%0.396SS..  trans-73.5-15.5-171.530.2-34.9000113.6V230 K234V230-P232 VanDerWaalsContact O-CD 3.26Å; V230-P232 WeakPolarHBondContact O-CD 3.34Å; P232-K234 PolarHBondContact O-N 3.24Å
233Y90.6Very high87.4Confident58 Ų5872.7 Ų72.723%0.22739%0.392CS..EExtended strand (participates in β ladder)trans-98.789.1-177.6-54.6-71000110.3R231 A241 F242 T243 R245R231-Y233 VanDerWaalsContact C-N 3.26Å; R231-Y233 PolarHBondContact O-N 3Å; Y233-A241 CarbonylContact O-C 3.53Å; Y233-A241 WeakPolarHBondContact O-CA 3.41Å; Y233-F242 PolarHBondContact N-O 2.8Å; Y233-F242 VanDerWaalsContact N-O 3.12Å; Y233-F242 PolarHBondContact O-N 3.23Å; Y233-T243 WeakPolarHBondContact CE2-O 3.29Å; Y233-R245 HydrophobicContact CD1-CB 4.23Å; Y233-R245 HydrophobicContact CE1-CB 4.07Å; Y233-R245 HydrophobicContact CE2-CB 4.49Å
234K88.3Confident87.4Confident164 Ų16474.4 Ų74.471%0.71340%0.4SS*.EExtended strand (participates in β ladder)trans-79.8142.8175.6-62.2-175-179-179.50111.2P232 A241P232-K234 PolarHBondContact O-N 3.24Å; K234-A241 HydrophobicContact CG-CB 4.04Å
235C88.1Confident87.5Confident13 Ų1381.4 Ų81.49%0.08842%0.424CS..  trans-70.9143.2164.7174.10000109.6L237 C238 K240 L248 M252C235-L237 PolarHBondContact SG-N 3.12Å; C235-C238 CarbonylContact C-O 3.57Å; C235-C238 WeakPolarHBondContact CB-O 3.44Å; C235-C238 PolarHBondContact SG-N 3.02Å; C235-K240 WeakPolarHBondContact CB-O 3.37Å; C235-K240 PolarHBondContact N-O 3.29Å; C235-L248 HydrophobicContact CB-CD1 3.99Å; C235-M252 HydrophobicContact CB-CE 3.73Å; C235-M252 WeakPolarHBondContact SG-CE 3.37Å
236S85.5Confident87.3Confident108 Ų10881.9 Ų81.976%0.75544%0.435SS*.SBendtrans-94.1-1176.763.90000113.4
237L82.9Confident87.5Confident67 Ų6779.6 Ų79.635%0.35142%0.423SS..SBendtrans-122.3-5.4-175.5-60.9176.2000112.9C235 H256 T259 L260C235-L237 PolarHBondContact SG-N 3.12Å; L237-H256 WeakPolarHBondContact CB-ND1 3.46Å; L237-H256 HydrophobicContact CD1-CB 3.63Å; L237-T259 HydrophobicContact CD1-CG2 3.97Å; L237-T259 HydrophobicContact CD2-CG2 4.12Å; L237-L260 HydrophobicContact CD1-CD2 3.7Å; L237-L260 HydrophobicContact CD1-CG 3.86Å
238C85.8Confident87.7Confident40 Ų4077.3 Ų77.327%0.2741%0.413SS..SBendtrans-164.1166.9167.9670000109.6C235 K240 H251 H256C235-C238 CarbonylContact C-O 3.57Å; C235-C238 WeakPolarHBondContact CB-O 3.44Å; C235-C238 PolarHBondContact SG-N 3.02Å; C238-K240 PolarHBondContact O-N 2.94Å; C238-H251 PolarHBondContact SG-NE2 3.13Å; C238-H256 PolarHBondContact SG-NE2 2.85Å
239D86Confident87.9Confident171 Ų17178.4 Ų78.491%0.91441%0.413SS*.SBendtrans-74.412.5-173.2-51.3-67.5000115.2A241D239-A241 PolarHBondContact O-N 3.27Å
240K87.3Confident88Confident131 Ų13178.9 Ų78.957%0.5741%0.409SS*.  trans-77.8115.5-178.5-62.8-164.3-175.9-156.60111.4C235 C238 F242C235-K240 WeakPolarHBondContact CB-O 3.37Å; C235-K240 PolarHBondContact N-O 3.29Å; C238-K240 PolarHBondContact O-N 2.94Å; K240-F242 HydrophobicContact CB-CE2 3.85Å; K240-F242 HydrophobicContact CB-CZ 3.96Å; K240-F242 VanDerWaalsContact O-CE2 3.29Å; K240-F242 WeakPolarHBondContact O-CE2 3.37Å
241A90.3Very high88.1Confident19 Ų1975.9 Ų75.916%0.15739%0.39CS..EExtended strand (participates in β ladder)trans-95.3156.6171.300000112.5R231 Y233 K234 D239R231-A241 HydrophobicContact CB-CB 3.58Å; R231-A241 PolarHBondContact NE-O 3.47Å; R231-A241 PolarHBondContact NH2-O 3.49Å; Y233-A241 CarbonylContact O-C 3.53Å; Y233-A241 WeakPolarHBondContact O-CA 3.41Å; K234-A241 HydrophobicContact CG-CB 4.04Å; D239-A241 PolarHBondContact O-N 3.27Å
242F89.1Confident88Confident33 Ų3370.8 Ų70.815%0.14537%0.372CS..EExtended strand (participates in β ladder)trans-136.6150.7-178.9-59.7-91.5000112R231 Y233 K240 Q244 L248 H251R231-F242 CarbonylContact C-O 3.59Å; R231-F242 VanDerWaalsContact C-O 3.3Å; R231-F242 WeakPolarHBondContact CA-O 3.2Å; Y233-F242 PolarHBondContact N-O 2.8Å; Y233-F242 VanDerWaalsContact N-O 3.12Å; Y233-F242 PolarHBondContact O-N 3.23Å; K240-F242 HydrophobicContact CB-CE2 3.85Å; K240-F242 HydrophobicContact CB-CZ 3.96Å; K240-F242 VanDerWaalsContact O-CE2 3.29Å; K240-F242 WeakPolarHBondContact O-CE2 3.37Å; F242-Q244 VanDerWaalsContact C-N 3.35Å; F242-L248 HydrophobicContact CB-CB 4.34Å; F242-L248 HydrophobicContact CD2-CB 3.97Å; F242-L248 HydrophobicContact CD2-CD1 3.79Å; F242-L248 HydrophobicContact CE2-CD1 4.02Å; F242-L248 HydrophobicContact CG-CB 4.28Å; F242-H251 HydrophobicContact CE1-CB 4.02Å; F242-H251 HydrophobicContact CE2-CB 4.05Å; F242-H251 AromaticContact CE2-CD2 3.21Å; F242-H251 WeakPolarHBondContact CE2-CD2 3.22Å; F242-H251 AromaticContact CE2-CG 3.76Å; F242-H251 AromaticContact CE2-NE2 3.97Å; F242-H251 HydrophobicContact CZ-CB 3.53Å; F242-H251 AromaticContact CZ-CD2 3.3Å; F242-H251 WeakPolarHBondContact CZ-CD2 3.3Å; F242-H251 AromaticContact CZ-CG 3.35Å
243T88.8Confident88Confident38 Ų3874 Ų7423%0.23338%0.379CS..SBendtrans-78.8-18.2176.553.90000113.2R225 R231 Y233R225-T243 HydrophobicContact CB-CG2 4.47Å; R225-T243 PolarHBondContact NH1-O 2.89Å; R231-T243 HydrophobicContact CG-CG2 3.75Å; Y233-T243 WeakPolarHBondContact CE2-O 3.29Å
244Q88.7Confident87.7Confident65 Ų6579.1 Ų79.130%0.30440%0.402SS..SBendtrans-136.7145.5-176.1-51.5-174.734.400112.5R222 F242 S247 L248R222-Q244 HydrophobicContact CG-CG 4.29Å; F242-Q244 VanDerWaalsContact C-N 3.35Å; Q244-S247 PolarHBondContact O-N 3.37Å; Q244-L248 PolarHBondContact O-N 3.45Å
245R88.9Confident87.6Confident173 Ų17376.9 Ų76.965%0.65340%0.397SS*.Hα-helixtrans-64.5-42.1-180-177.2-179.4-72.6143.1-5.4113.1Y233 S247 L248 E249Y233-R245 HydrophobicContact CD1-CB 4.23Å; Y233-R245 HydrophobicContact CE1-CB 4.07Å; Y233-R245 HydrophobicContact CE2-CB 4.49Å; R245-S247 VanDerWaalsContact C-N 3.27Å; R245-S247 PolarHBondContact O-N 3.22Å; R245-L248 WeakPolarHBondContact O-CB 3.21Å; R245-L248 PolarHBondContact O-N 2.9Å; R245-E249 PolarHBondContact O-N 2.93Å
246C86.9Confident87.4Confident67 Ų6777.1 Ų77.145%0.45340%0.397SS..Hα-helixtrans-63.3-31.9178.153.80000112.8S250C246-S250 WeakPolarHBondContact O-CB 3.39Å; C246-S250 PolarHBondContact O-N 2.8Å; C246-S250 PolarHBondContact O-OG 3.06Å
247S89.7Confident87Confident43 Ų4374.2 Ų74.230%0.30138%0.376SS..Hα-helixtrans-68.8-43173.3-49.90000111.5Q244 R245 S250 H251Q244-S247 PolarHBondContact O-N 3.37Å; R245-S247 VanDerWaalsContact C-N 3.27Å; R245-S247 PolarHBondContact O-N 3.22Å; S247-S250 PolarHBondContact O-N 3.49Å; S247-H251 WeakPolarHBondContact O-CB 3.41Å; S247-H251 PolarHBondContact O-N 2.64Å
248L91.8Very high86.3Confident31 Ų3175.1 Ų75.116%0.16238%0.384CS..Hα-helixtrans-60.3-46.9172.3173.565.7000111C235 F242 Q244 R245 S250 H251 M252C235-L248 HydrophobicContact CB-CD1 3.99Å; F242-L248 HydrophobicContact CB-CB 4.34Å; F242-L248 HydrophobicContact CD2-CB 3.97Å; F242-L248 HydrophobicContact CD2-CD1 3.79Å; F242-L248 HydrophobicContact CE2-CD1 4.02Å; F242-L248 HydrophobicContact CG-CB 4.28Å; Q244-L248 PolarHBondContact O-N 3.45Å; R245-L248 WeakPolarHBondContact O-CB 3.21Å; R245-L248 PolarHBondContact O-N 2.9Å; L248-S250 PolarHBondContact O-N 2.92Å; L248-H251 WeakPolarHBondContact O-CB 3.42Å; L248-H251 PolarHBondContact O-N 2.56Å; L248-M252 HydrophobicContact CD1-CE 3.6Å; L248-M252 HydrophobicContact CD1-CG 4.5Å; L248-M252 WeakPolarHBondContact O-CG 3.48Å; L248-M252 PolarHBondContact O-N 3Å
249E88.9Confident85.4Confident94 Ų9476.4 Ų76.444%0.43939%0.391SS..Hα-helixtrans-63.7-40.4179.2-167.1-165.9149.700112.5R245 H251 M252 K253R245-E249 PolarHBondContact O-N 2.93Å; E249-H251 VanDerWaalsContact C-N 3.35Å; E249-M252 WeakPolarHBondContact O-CB 3.34Å; E249-M252 PolarHBondContact O-N 2.92Å; E249-K253 HydrophobicContact CG-CD 4.34Å; E249-K253 WeakPolarHBondContact O-CB 3.18Å; E249-K253 WeakPolarHBondContact O-CG 3.47Å; E249-K253 PolarHBondContact O-N 2.79Å; E249-K253 WeakPolarHBondContact OE1-CE 3.33Å; E249-K253 IonicContact OE1-NZ 3.43Å; E249-K253 PolarHBondContact OE1-NZ 3.02Å
250S88.1Confident84.5Confident59 Ų5970.4 Ų70.441%0.41336%0.359SS..Hα-helixtrans-65.2-39.4174-59.90000111.6C246 S247 L248 K253 K254C246-S250 WeakPolarHBondContact O-CB 3.39Å; C246-S250 PolarHBondContact O-N 2.8Å; C246-S250 PolarHBondContact O-OG 3.06Å; S247-S250 PolarHBondContact O-N 3.49Å; L248-S250 PolarHBondContact O-N 2.92Å; S250-K253 PolarHBondContact O-N 3.49Å; S250-K254 VanDerWaalsContact O-CB 3.31Å; S250-K254 WeakPolarHBondContact O-CB 3.09Å; S250-K254 VanDerWaalsContact O-CG 3.28Å; S250-K254 WeakPolarHBondContact O-CG 3.4Å; S250-K254 PolarHBondContact O-N 3.05Å
251H89.1Confident83.3Confident17 Ų1771.6 Ų71.68%0.07936%0.364CS..Hα-helixtrans-65.2-43.7174.116456.3000111.7C238 F242 S247 L248 E249 K254 I255 H256C238-H251 PolarHBondContact SG-NE2 3.13Å; F242-H251 HydrophobicContact CE1-CB 4.02Å; F242-H251 HydrophobicContact CE2-CB 4.05Å; F242-H251 AromaticContact CE2-CD2 3.21Å; F242-H251 WeakPolarHBondContact CE2-CD2 3.22Å; F242-H251 AromaticContact CE2-CG 3.76Å; F242-H251 AromaticContact CE2-NE2 3.97Å; F242-H251 HydrophobicContact CZ-CB 3.53Å; F242-H251 AromaticContact CZ-CD2 3.3Å; F242-H251 WeakPolarHBondContact CZ-CD2 3.3Å; F242-H251 AromaticContact CZ-CG 3.35Å; S247-H251 WeakPolarHBondContact O-CB 3.41Å; S247-H251 PolarHBondContact O-N 2.64Å; L248-H251 WeakPolarHBondContact O-CB 3.42Å; L248-H251 PolarHBondContact O-N 2.56Å; E249-H251 VanDerWaalsContact C-N 3.35Å; H251-K254 PolarHBondContact O-N 3.06Å; H251-I255 VanDerWaalsContact ND1-CG1 3.33Å; H251-I255 WeakPolarHBondContact ND1-CG1 3.48Å; H251-I255 WeakPolarHBondContact O-CB 3.43Å; H251-I255 PolarHBondContact O-N 2.86Å; H251-H256 AromaticContact CE1-CD2 3.69Å; H251-H256 AromaticContact CE1-NE2 3.49Å; H251-H256 PolarHBondContact CE1-NE2 2.76Å; H251-H256 AromaticContact NE2-CD2 3.69Å; H251-H256 AromaticContact NE2-NE2 3.49Å; H251-H256 PolarHBondContact NE2-NE2 3.07Å
252M86.9Confident81.7Confident26 Ų2678.2 Ų78.213%0.12839%0.386CS..Hα-helixtrans-53.6-55.6172.1-78.6-42.292.200110.3C235 L248 E249 K254 H256 S257 L260C235-M252 HydrophobicContact CB-CE 3.73Å; C235-M252 WeakPolarHBondContact SG-CE 3.37Å; L248-M252 HydrophobicContact CD1-CE 3.6Å; L248-M252 HydrophobicContact CD1-CG 4.5Å; L248-M252 WeakPolarHBondContact O-CG 3.48Å; L248-M252 PolarHBondContact O-N 3Å; E249-M252 WeakPolarHBondContact O-CB 3.34Å; E249-M252 PolarHBondContact O-N 2.92Å; M252-K254 VanDerWaalsContact C-N 3.33Å; M252-K254 PolarHBondContact O-N 2.88Å; M252-H256 CarbonylContact O-C 3.41Å; M252-H256 VanDerWaalsContact O-C 3.27Å; M252-H256 WeakPolarHBondContact O-CA 3.18Å; M252-H256 PolarHBondContact O-N 3.37Å; M252-S257 PolarHBondContact O-N 3.02Å; M252-L260 HydrophobicContact CB-CD1 3.5Å; M252-L260 HydrophobicContact CG-CD1 4.02Å; M252-L260 WeakPolarHBondContact O-CD1 3.31Å; M252-L260 HydrophobicContact SD-CD1 3.95Å
253K86.6Confident80.4Confident137 Ų13777.8 Ų77.860%0.59639%0.388SS*.Hα-helixtrans-66.1-26.7-177.1-75.5173.3170.7172.60114.6E249 S250 S257E249-K253 HydrophobicContact CG-CD 4.34Å; E249-K253 WeakPolarHBondContact O-CB 3.18Å; E249-K253 WeakPolarHBondContact O-CG 3.47Å; E249-K253 PolarHBondContact O-N 2.79Å; E249-K253 WeakPolarHBondContact OE1-CE 3.33Å; E249-K253 IonicContact OE1-NZ 3.43Å; E249-K253 PolarHBondContact OE1-NZ 3.02Å; S250-K253 PolarHBondContact O-N 3.49Å; K253-S257 VanDerWaalsContact O-CB 3.26Å; K253-S257 WeakPolarHBondContact O-CB 3.41Å
254K84.9Confident78.8Confident166 Ų16683.3 Ų83.372%0.72241%0.406SS*.Hα-helixtrans-95.1-42.8-178.4-70.4-179.4178.2-170.80113.6S250 H251 M252S250-K254 VanDerWaalsContact O-CB 3.31Å; S250-K254 WeakPolarHBondContact O-CB 3.09Å; S250-K254 VanDerWaalsContact O-CG 3.28Å; S250-K254 WeakPolarHBondContact O-CG 3.4Å; S250-K254 PolarHBondContact O-N 3.05Å; H251-K254 PolarHBondContact O-N 3.06Å; M252-K254 VanDerWaalsContact C-N 3.33Å; M252-K254 PolarHBondContact O-N 2.88Å
255I85.7Confident77.1Confident117 Ų11786.5 Ų86.560%0.642%0.419SS*.Hα-helixtrans-98.8-39.6-171.5-52.9-56.9000111.8H251H251-I255 VanDerWaalsContact ND1-CG1 3.33Å; H251-I255 WeakPolarHBondContact ND1-CG1 3.48Å; H251-I255 WeakPolarHBondContact O-CB 3.43Å; H251-I255 PolarHBondContact O-N 2.86Å
256H83.1Confident75.5Confident18 Ų1885.2 Ų85.28%0.08342%0.42CS..SBendtrans-104.421.4-178.8-60.8-76.2000112.4L237 C238 H251 M252 V258 T259 L260L237-H256 WeakPolarHBondContact CB-ND1 3.46Å; L237-H256 HydrophobicContact CD1-CB 3.63Å; C238-H256 PolarHBondContact SG-NE2 2.85Å; H251-H256 AromaticContact CE1-CD2 3.69Å; H251-H256 AromaticContact CE1-NE2 3.49Å; H251-H256 PolarHBondContact CE1-NE2 2.76Å; H251-H256 AromaticContact NE2-CD2 3.69Å; H251-H256 AromaticContact NE2-NE2 3.49Å; H251-H256 PolarHBondContact NE2-NE2 3.07Å; M252-H256 CarbonylContact O-C 3.41Å; M252-H256 VanDerWaalsContact O-C 3.27Å; M252-H256 WeakPolarHBondContact O-CA 3.18Å; M252-H256 PolarHBondContact O-N 3.37Å; H256-V258 PolarHBondContact O-N 2.82Å; H256-T259 PolarHBondContact O-N 3.12Å; H256-L260 HydrophobicContact CB-CD1 3.89Å; H256-L260 HydrophobicContact CB-CG 4.02Å; H256-L260 VanDerWaalsContact O-CB 3.25Å; H256-L260 WeakPolarHBondContact O-CB 3.39Å; H256-L260 VanDerWaalsContact O-CG 3.25Å; H256-L260 WeakPolarHBondContact O-CG 3.35Å; H256-L260 PolarHBondContact O-N 2.84Å
257S76.9Confident73.9Confident46 Ų4690.8 Ų90.832%0.32243%0.432SS..Hα-helixtrans-54-39.7-17668.40000113M252 K253 K261M252-S257 PolarHBondContact O-N 3.02Å; K253-S257 VanDerWaalsContact O-CB 3.26Å; K253-S257 WeakPolarHBondContact O-CB 3.41Å; S257-K261 VanDerWaalsContact O-CG 3.25Å; S257-K261 WeakPolarHBondContact O-CG 3.33Å; S257-K261 PolarHBondContact O-N 3.41Å
258V69.5Low72.1Confident86 Ų8698.1 Ų98.152%0.52145%0.453SS..Hα-helixtrans-74.6-54.3178.5-179.40000110.4H256 L260 K261 Y262H256-V258 PolarHBondContact O-N 2.82Å; V258-L260 VanDerWaalsContact C-N 3.27Å; V258-L260 PolarHBondContact O-N 3.26Å; V258-K261 WeakPolarHBondContact O-CB 3.46Å; V258-K261 PolarHBondContact O-N 3.18Å; V258-K261 VanDerWaalsContact O-N 3.08Å; V258-Y262 HydrophobicContact CG1-CD2 3.85Å; V258-Y262 HydrophobicContact CG1-CE2 3.51Å; V258-Y262 WeakPolarHBondContact O-CD2 3.05Å; V258-Y262 PolarHBondContact O-N 3.26Å
259T66.3Low70.3Confident67 Ų67100.6 Ų100.641%0.41147%0.466SS..Hα-helixtrans-57.8-37.6179.2-41.60000112.5L237 H256 Y262 A263L237-T259 HydrophobicContact CD1-CG2 3.97Å; L237-T259 HydrophobicContact CD2-CG2 4.12Å; H256-T259 PolarHBondContact O-N 3.12Å; T259-Y262 PolarHBondContact O-N 3.31Å; T259-A263 VanDerWaalsContact O-CB 3.31Å; T259-A263 WeakPolarHBondContact O-CB 3.25Å; T259-A263 PolarHBondContact O-N 2.99Å
260L66.8Low69.2Low46 Ų4699.4 Ų99.424%0.24146%0.459CS..Hα-helixtrans-75.6-32.3177.2-69.1167.7000112.7L237 M252 H256 V258 Y262 Y264L237-L260 HydrophobicContact CD1-CD2 3.7Å; L237-L260 HydrophobicContact CD1-CG 3.86Å; M252-L260 HydrophobicContact CB-CD1 3.5Å; M252-L260 HydrophobicContact CG-CD1 4.02Å; M252-L260 WeakPolarHBondContact O-CD1 3.31Å; M252-L260 HydrophobicContact SD-CD1 3.95Å; H256-L260 HydrophobicContact CB-CD1 3.89Å; H256-L260 HydrophobicContact CB-CG 4.02Å; H256-L260 VanDerWaalsContact O-CB 3.25Å; H256-L260 WeakPolarHBondContact O-CB 3.39Å; H256-L260 VanDerWaalsContact O-CG 3.25Å; H256-L260 WeakPolarHBondContact O-CG 3.35Å; H256-L260 PolarHBondContact O-N 2.84Å; V258-L260 VanDerWaalsContact C-N 3.27Å; V258-L260 PolarHBondContact O-N 3.26Å; L260-Y262 VanDerWaalsContact C-N 3.32Å; L260-Y264 WeakPolarHBondContact O-CB 3.31Å; L260-Y264 PolarHBondContact O-N 2.79Å
261K61.7Low68.5Low156 Ų156100.1 Ų100.168%0.67846%0.459SS*.Hα-helixtrans-60.8-44.2168.3-81171.8179-1770110.4S257 V258 K265S257-K261 VanDerWaalsContact O-CG 3.25Å; S257-K261 WeakPolarHBondContact O-CG 3.33Å; S257-K261 PolarHBondContact O-N 3.41Å; V258-K261 WeakPolarHBondContact O-CB 3.46Å; V258-K261 PolarHBondContact O-N 3.18Å; V258-K261 VanDerWaalsContact O-N 3.08Å; K261-K265 WeakPolarHBondContact O-CB 3.28Å; K261-K265 PolarHBondContact O-N 3.2Å
262Y57.6Low67.8Low158 Ų158103.6 Ų103.662%0.6247%0.471SS*.Hα-helixtrans-67.2-48.8175.5-70.4-67.9000112.6V258 T259 L260 Y264 K265 E266V258-Y262 HydrophobicContact CG1-CD2 3.85Å; V258-Y262 HydrophobicContact CG1-CE2 3.51Å; V258-Y262 WeakPolarHBondContact O-CD2 3.05Å; V258-Y262 PolarHBondContact O-N 3.26Å; T259-Y262 PolarHBondContact O-N 3.31Å; L260-Y262 VanDerWaalsContact C-N 3.32Å; Y262-Y264 VanDerWaalsContact C-N 3.29Å; Y262-Y264 PolarHBondContact O-N 3.35Å; Y262-K265 CarbonylContact O-C 3.3Å; Y262-K265 WeakPolarHBondContact O-CA 3.49Å; Y262-K265 WeakPolarHBondContact O-CB 3.25Å; Y262-K265 PolarHBondContact O-N 2.98Å; Y262-K265 VanDerWaalsContact O-N 3.12Å; Y262-E266 WeakPolarHBondContact O-CB 3.4Å; Y262-E266 PolarHBondContact O-N 3.48Å
263A61.7Low67.3Low24 Ų24105.9 Ų105.920%0.19849%0.487CS..Hα-helixtrans-71-18.1179.600000114.7T259 R267T259-A263 VanDerWaalsContact O-CB 3.31Å; T259-A263 WeakPolarHBondContact O-CB 3.25Å; T259-A263 PolarHBondContact O-N 2.99Å; A263-R267 PolarHBondContact O-N 3.42Å; A263-R267 PolarHBondContact O-NE 2.65Å
264Y55.3Low66.9Low153 Ų15399.4 Ų99.460%0.646%0.459SS*.Hα-helixtrans-83.9-39.7167.5-175.6-97.7000111L260 Y262 R267 R268L260-Y264 WeakPolarHBondContact O-CB 3.31Å; L260-Y264 PolarHBondContact O-N 2.79Å; Y262-Y264 VanDerWaalsContact C-N 3.29Å; Y262-Y264 PolarHBondContact O-N 3.35Å; Y264-R267 PolarHBondContact O-N 3.47Å; Y264-R268 WeakPolarHBondContact O-CB 3.42Å; Y264-R268 PolarHBondContact O-N 2.86Å
265K52.7Low66.4Low133 Ų13397.8 Ų97.858%0.57845%0.454SS*.Hα-helixtrans-58.6-50.8171.1-169.7175.2-176.9-176.70109.5K261 Y262 R267 R268 N269K261-K265 WeakPolarHBondContact O-CB 3.28Å; K261-K265 PolarHBondContact O-N 3.2Å; Y262-K265 CarbonylContact O-C 3.3Å; Y262-K265 WeakPolarHBondContact O-CA 3.49Å; Y262-K265 WeakPolarHBondContact O-CB 3.25Å; Y262-K265 PolarHBondContact O-N 2.98Å; Y262-K265 VanDerWaalsContact O-N 3.12Å; K265-R267 PolarHBondContact O-N 3.46Å; K265-R268 CarbonylContact O-C 3.53Å; K265-R268 WeakPolarHBondContact O-CA 3.43Å; K265-R268 PolarHBondContact O-N 3.39Å; K265-N269 WeakPolarHBondContact O-CA 3.07Å; K265-N269 WeakPolarHBondContact O-CB 3.46Å; K265-N269 PolarHBondContact O-N 3.33Å
266E55.3Low65.8Low146 Ų14697 Ų9768%0.68245%0.448SS*.Hα-helixtrans-57.3-45178.3-171172.4-152.300113.3Y262 R268 N269Y262-E266 WeakPolarHBondContact O-CB 3.4Å; Y262-E266 PolarHBondContact O-N 3.48Å; E266-R268 VanDerWaalsContact C-N 3.27Å; E266-R268 PolarHBondContact O-N 3Å; E266-N269 CarbonylContact O-C 3.38Å; E266-N269 PolarHBondContact O-N 3.05Å
267R52.7Low65.5Low184 Ų18499.4 Ų99.469%0.69447%0.466SS*.Hα-helixtrans-66.3-24.2173.6-87.1-178.8-74.3175.5-9.3114.5A263 Y264 K265A263-R267 PolarHBondContact O-N 3.42Å; A263-R267 PolarHBondContact O-NE 2.65Å; Y264-R267 PolarHBondContact O-N 3.47Å; K265-R267 PolarHBondContact O-N 3.46Å
268R51.9Low65.4Low197 Ų19799.4 Ų99.474%0.74347%0.473SS*.Hα-helixtrans-91.1-23.2173.1-178173.7162.2153.3-2.7112.5Y264 K265 E266 K270Y264-R268 WeakPolarHBondContact O-CB 3.42Å; Y264-R268 PolarHBondContact O-N 2.86Å; K265-R268 CarbonylContact O-C 3.53Å; K265-R268 WeakPolarHBondContact O-CA 3.43Å; K265-R268 PolarHBondContact O-N 3.39Å; E266-R268 VanDerWaalsContact C-N 3.27Å; E266-R268 PolarHBondContact O-N 3Å; R268-K270 PolarHBondContact O-N 3.44Å
269N54.8Low65.9Low83 Ų8399.8 Ų99.844%0.44447%0.469SS..  trans-91.840.3178.3-157.291.2000109.7K265 E266 L271K265-N269 WeakPolarHBondContact O-CA 3.07Å; K265-N269 WeakPolarHBondContact O-CB 3.46Å; K265-N269 PolarHBondContact O-N 3.33Å; E266-N269 CarbonylContact O-C 3.38Å; E266-N269 PolarHBondContact O-N 3.05Å; N269-L271 VanDerWaalsContact C-N 3.28Å; N269-L271 PolarHBondContact O-N 2.89Å
270K65.8Low66.2Low68 Ų68100.3 Ų100.330%0.29647%0.472SS..  trans-73.690.4170.5-176.3-179.9-179.6-177.90106.9R268 Y272 R307 R308R268-K270 PolarHBondContact O-N 3.44Å; K270-Y272 PolarHBondContact O-N 2.87Å; K270-R307 VanDerWaalsContact NZ-CG 3.31Å; K270-R308 WeakPolarHBondContact CE-O 3.33Å; K270-R308 PolarHBondContact NZ-O 3.08Å
271L73.8Confident66.6Low75 Ų7598.3 Ų98.339%0.39346%0.462SS..  trans-60133.6-180-58.4176.9000109.7N269 A281N269-L271 VanDerWaalsContact C-N 3.28Å; N269-L271 PolarHBondContact O-N 2.89Å; L271-A281 CarbonylContact C-O 3.53Å; L271-A281 VanDerWaalsContact CA-O 3.26Å; L271-A281 WeakPolarHBondContact CA-O 3.22Å
272Y74.6Confident67.1Low89 Ų8992.8 Ų92.835%0.34945%0.449SS..EExtended strand (participates in β ladder)trans-85.6124.5171.8-67.5-95000107.2K270 A281 Q284K270-Y272 PolarHBondContact O-N 2.87Å; Y272-A281 PolarHBondContact N-O 2.8Å; Y272-A281 PolarHBondContact O-N 3.45Å; Y272-Q284 HydrophobicContact CD1-CB 4.15Å; Y272-Q284 HydrophobicContact CD1-CG 4.33Å; Y272-Q284 HydrophobicContact CE1-CB 3.85Å; Y272-Q284 HydrophobicContact CE1-CG 4.15Å; Y272-Q284 HydrophobicContact CE2-CB 4.24Å; Y272-Q284 HydrophobicContact CG-CB 4.48Å
273V75.3Confident68Low75 Ų7588.1 Ų88.146%0.45544%0.437SS..EExtended strand (participates in β ladder)trans-109.3131.6-174.4-169.10000109.2E275 H279 T280V273-E275 PolarHBondContact O-N 2.74Å; V273-H279 CarbonylContact C-O 3.58Å; V273-H279 WeakPolarHBondContact CA-O 3.38Å; V273-T280 HydrophobicContact CG1-CG2 4.28Å; V273-T280 HydrophobicContact CG2-CG2 4.11Å
274C78.9Confident68.8Low1 Ų191.2 Ų91.21%0.00745%0.447CS..  trans-70.3120168.5-174.70000109.3E276 G278 H279 L287 H290C274-E276 PolarHBondContact O-N 3.42Å; C274-G278 VanDerWaalsContact O-CA 3.22Å; C274-G278 WeakPolarHBondContact O-CA 3.24Å; C274-G278 PolarHBondContact O-N 3.19Å; C274-H279 HydrophobicContact CB-CB 4.17Å; C274-H279 PolarHBondContact N-O 2.86Å; C274-L287 HydrophobicContact CB-CD1 3.64Å; C274-H290 PolarHBondContact SG-NE2 3.23Å; C274-H290 VanDerWaalsContact SG-NE2 3.42Å
275E74Confident69.9Low131 Ų13189.4 Ų89.461%0.61245%0.448SS*.THydrogen-bonded Turntrans-72.8-16.1179.6-66.5-170.3153.800112.4V273 R308V273-E275 PolarHBondContact O-N 2.74Å; E275-R308 IonicContact OE1-CZ 3.41Å; E275-R308 IonicContact OE1-NE 3.05Å; E275-R308 PolarHBondContact OE1-NE 3.35Å; E275-R308 IonicContact OE1-NH2 2.9Å; E275-R308 PolarHBondContact OE1-NH2 3.35Å; E275-R308 IonicContact OE2-NH2 3.94Å
276E73.9Confident71.1Confident102 Ų10287.1 Ų87.148%0.47744%0.44SS..THydrogen-bonded Turntrans-89.5-30.4-179.4-68.7179.7-143.200114.6C274 H295 S298C274-E276 PolarHBondContact O-N 3.42Å; E276-H295 WeakPolarHBondContact CB-ND1 3.19Å; E276-H295 IonicContact OE2-CE1 2.64Å; E276-H295 IonicContact OE2-CG 2.74Å; E276-H295 IonicContact OE2-ND1 3.73Å; E276-H295 PolarHBondContact OE2-ND1 3.15Å; E276-S298 WeakPolarHBondContact OE1-CA 3.26Å; E276-S298 WeakPolarHBondContact OE1-CB 3.49Å; E276-S298 PolarHBondContact OE1-OG 2.92Å
277C77.1Confident72.3Confident68 Ų6880.9 Ų80.946%0.45941%0.411SS..THydrogen-bonded Turntrans-133.81.3-178.570.40000114.9H279 H290 H295C277-H279 PolarHBondContact O-N 3.39Å; C277-H290 PolarHBondContact SG-CE1 3.14Å; C277-H290 PolarHBondContact SG-NE2 2.78Å; C277-H295 PolarHBondContact SG-NE2 3.38Å
278G73.8Confident73.6Confident46 Ų4674.4 Ų74.447%0.47439%0.392SS..  trans73.94.5178.600000115.7C274 T280C274-G278 VanDerWaalsContact O-CA 3.22Å; C274-G278 WeakPolarHBondContact O-CA 3.24Å; C274-G278 PolarHBondContact O-N 3.19Å; G278-T280 PolarHBondContact O-N 2.94Å
279H80Confident75.1Confident94 Ų9472.9 Ų72.944%0.43539%0.386SS..  trans-60.9132.3-179.7-173.672.4000112V273 C274 C277 H290V273-H279 CarbonylContact C-O 3.58Å; V273-H279 WeakPolarHBondContact CA-O 3.38Å; C274-H279 HydrophobicContact CB-CB 4.17Å; C274-H279 PolarHBondContact N-O 2.86Å; C277-H279 PolarHBondContact O-N 3.39Å; H279-H290 VanDerWaalsContact CB-CE1 3.49Å; H279-H290 WeakPolarHBondContact CB-CE1 3.32Å; H279-H290 AromaticContact CD2-CE1 3.99Å; H279-H290 AromaticContact CD2-CG 3.77Å; H279-H290 AromaticContact CD2-ND1 3.55Å; H279-H290 AromaticContact CG-CE1 3.78Å; H279-H290 AromaticContact CG-ND1 3.75Å
280T73.8Confident76.4Confident78 Ų7869.9 Ų69.948%0.47937%0.369SS..EExtended strand (participates in β ladder)trans-106.9117-17763.50000111.8V273 G278V273-T280 HydrophobicContact CG1-CG2 4.28Å; V273-T280 HydrophobicContact CG2-CG2 4.11Å; G278-T280 PolarHBondContact O-N 2.94Å
281A73.5Confident77Confident4 Ų466.8 Ų66.83%0.03336%0.356CS..EExtended strand (participates in β ladder)trans-105.3147.4179.400000111.7L271 Y272 T283 E286 L287L271-A281 CarbonylContact C-O 3.53Å; L271-A281 VanDerWaalsContact CA-O 3.26Å; L271-A281 WeakPolarHBondContact CA-O 3.22Å; Y272-A281 PolarHBondContact N-O 2.8Å; Y272-A281 PolarHBondContact O-N 3.45Å; A281-T283 VanDerWaalsContact C-N 3.34Å; A281-E286 HydrophobicContact CB-CB 3.76Å; A281-L287 HydrophobicContact CB-CB 3.96Å
282G73.4Confident77.3Confident39 Ų3968.9 Ų68.940%0.40236%0.364SS..SBendtrans-75.8-25.3177.300000113.2E286G282-E286 WeakPolarHBondContact CA-OE2 3.36Å; G282-E286 PolarHBondContact N-OE2 3.4Å
283T76.3Confident77.7Confident60 Ų6068.6 Ų68.637%0.36837%0.374SS..SBendtrans-133.8163-177.163.50000111.6A281 E286 L287A281-T283 VanDerWaalsContact C-N 3.34Å; T283-E286 PolarHBondContact N-OE2 3.47Å; T283-E286 WeakPolarHBondContact OG1-CB 3.18Å; T283-E286 WeakPolarHBondContact OG1-CG 3.42Å; T283-E286 PolarHBondContact OG1-N 3.23Å; T283-E286 PolarHBondContact OG1-OE2 2.84Å; T283-L287 PolarHBondContact O-N 3.41Å
284Q78.1Confident77.8Confident89 Ų8970.4 Ų70.442%0.41638%0.381SS..Hα-helixtrans-68.8-36.3178-170.8173.5-4200111.5Y272 E286 L287 V288Y272-Q284 HydrophobicContact CD1-CB 4.15Å; Y272-Q284 HydrophobicContact CD1-CG 4.33Å; Y272-Q284 HydrophobicContact CE1-CB 3.85Å; Y272-Q284 HydrophobicContact CE1-CG 4.15Å; Y272-Q284 HydrophobicContact CE2-CB 4.24Å; Y272-Q284 HydrophobicContact CG-CB 4.48Å; Q284-E286 PolarHBondContact O-N 2.87Å; Q284-L287 PolarHBondContact O-N 3.26Å; Q284-V288 HydrophobicContact CG-CG2 4.44Å; Q284-V288 WeakPolarHBondContact O-CG2 3.25Å; Q284-V288 PolarHBondContact O-N 3.25Å
285D78.6Confident77.8Confident116 Ų11671.9 Ų71.962%0.6239%0.387SS*.Hα-helixtrans-68.9-33.1-178.8-54.4-53.1000112.7R289D285-R289 WeakPolarHBondContact O-CB 3.26Å; D285-R289 PolarHBondContact O-N 3.19Å
286E78.8Confident77.6Confident85 Ų8569.6 Ų69.640%0.39738%0.384SS..Hα-helixtrans-64.5-43.5170.5-75.5161.4161.700111.4A281 G282 T283 Q284 R289 H290A281-E286 HydrophobicContact CB-CB 3.76Å; G282-E286 WeakPolarHBondContact CA-OE2 3.36Å; G282-E286 PolarHBondContact N-OE2 3.4Å; T283-E286 PolarHBondContact N-OE2 3.47Å; T283-E286 WeakPolarHBondContact OG1-CB 3.18Å; T283-E286 WeakPolarHBondContact OG1-CG 3.42Å; T283-E286 PolarHBondContact OG1-N 3.23Å; T283-E286 PolarHBondContact OG1-OE2 2.84Å; Q284-E286 PolarHBondContact O-N 2.87Å; E286-R289 PolarHBondContact O-N 3.34Å; E286-H290 WeakPolarHBondContact O-CB 3.21Å; E286-H290 PolarHBondContact O-N 3.14Å
287L80.4Confident77.2Confident14 Ų1471 Ų717%0.07340%0.395CS..Hα-helixtrans-64.6-43.6174.8179.761.1000111.5C274 A281 T283 Q284 R289 H290 L291C274-L287 HydrophobicContact CB-CD1 3.64Å; A281-L287 HydrophobicContact CB-CB 3.96Å; T283-L287 PolarHBondContact O-N 3.41Å; Q284-L287 PolarHBondContact O-N 3.26Å; L287-R289 VanDerWaalsContact C-N 3.35Å; L287-R289 PolarHBondContact O-N 3.48Å; L287-H290 WeakPolarHBondContact O-CB 3.49Å; L287-H290 PolarHBondContact O-N 3.41Å; L287-L291 HydrophobicContact CD1-CD1 4.48Å; L287-L291 HydrophobicContact CD1-CG 4.26Å; L287-L291 HydrophobicContact CG-CD1 4.15Å; L287-L291 HydrophobicContact CG-CG 4.38Å; L287-L291 VanDerWaalsContact O-CG 3.32Å; L287-L291 WeakPolarHBondContact O-CG 3.42Å; L287-L291 PolarHBondContact O-N 3.15Å
288V79.7Confident76.6Confident48 Ų4868 Ų6829%0.29137%0.374SS..Hα-helixtrans-63.4-40178.1169.30000111.4Q284 L291 H292 L301Q284-V288 HydrophobicContact CG-CG2 4.44Å; Q284-V288 WeakPolarHBondContact O-CG2 3.25Å; Q284-V288 PolarHBondContact O-N 3.25Å; V288-L291 PolarHBondContact O-N 3.03Å; V288-H292 PolarHBondContact O-N 3.05Å; V288-H292 PolarHBondContact O-ND1 3.08Å; V288-L301 HydrophobicContact CG1-CD2 4.14Å
289R82.1Confident75.9Confident166 Ų16670.4 Ų70.463%0.62638%0.382SS*.Hα-helixtrans-64.7-43.2174.3-166.5-173.9-53.1135.110.4111.7D285 E286 L287 H292 S293D285-R289 WeakPolarHBondContact O-CB 3.26Å; D285-R289 PolarHBondContact O-N 3.19Å; E286-R289 PolarHBondContact O-N 3.34Å; L287-R289 VanDerWaalsContact C-N 3.35Å; L287-R289 PolarHBondContact O-N 3.48Å; R289-H292 PolarHBondContact O-N 3.2Å; R289-S293 PolarHBondContact O-N 2.76Å; R289-S293 PolarHBondContact O-OG 3.38Å
290H83Confident74.9Confident19 Ų1969.4 Ų69.49%0.08838%0.38CS..Hα-helixtrans-58.5-48174.1162.286.7000111.5C274 C277 H279 E286 L287 S293 L294 H295C274-H290 PolarHBondContact SG-NE2 3.23Å; C274-H290 VanDerWaalsContact SG-NE2 3.42Å; C277-H290 PolarHBondContact SG-CE1 3.14Å; C277-H290 PolarHBondContact SG-NE2 2.78Å; H279-H290 VanDerWaalsContact CB-CE1 3.49Å; H279-H290 WeakPolarHBondContact CB-CE1 3.32Å; H279-H290 AromaticContact CD2-CE1 3.99Å; H279-H290 AromaticContact CD2-CG 3.77Å; H279-H290 AromaticContact CD2-ND1 3.55Å; H279-H290 AromaticContact CG-CE1 3.78Å; H279-H290 AromaticContact CG-ND1 3.75Å; E286-H290 WeakPolarHBondContact O-CB 3.21Å; E286-H290 PolarHBondContact O-N 3.14Å; L287-H290 WeakPolarHBondContact O-CB 3.49Å; L287-H290 PolarHBondContact O-N 3.41Å; H290-S293 WeakPolarHBondContact CA-OG 3.32Å; H290-S293 PolarHBondContact O-N 2.82Å; H290-S293 VanDerWaalsContact O-N 3.13Å; H290-S293 PolarHBondContact O-OG 3.03Å; H290-L294 PolarHBondContact O-N 2.76Å; H290-H295 AromaticContact NE2-CD2 3.59Å; H290-H295 AromaticContact NE2-NE2 3.74Å
291L79.1Confident74.2Confident4 Ų468.1 Ų68.12%0.02137%0.369CS..Hα-helixtrans-59.5-49176-70.4172000111.3L287 V288 S293 L294 H295 L300 L301L287-L291 HydrophobicContact CD1-CD1 4.48Å; L287-L291 HydrophobicContact CD1-CG 4.26Å; L287-L291 HydrophobicContact CG-CD1 4.15Å; L287-L291 HydrophobicContact CG-CG 4.38Å; L287-L291 VanDerWaalsContact O-CG 3.32Å; L287-L291 WeakPolarHBondContact O-CG 3.42Å; L287-L291 PolarHBondContact O-N 3.15Å; V288-L291 PolarHBondContact O-N 3.03Å; L291-S293 PolarHBondContact O-N 3.33Å; L291-L294 PolarHBondContact O-N 3.27Å; L291-H295 HydrophobicContact CD2-CB 3.89Å; L291-H295 CarbonylContact O-C 2.95Å; L291-H295 VanDerWaalsContact O-CA 3.24Å; L291-H295 WeakPolarHBondContact O-CA 3.42Å; L291-H295 PolarHBondContact O-N 3.43Å; L291-H295 VanDerWaalsContact O-O 3.1Å; L291-L300 HydrophobicContact CD1-CB 4.05Å; L291-L300 HydrophobicContact CD1-CD1 4.28Å; L291-L301 HydrophobicContact CB-CD1 4.22Å; L291-L301 HydrophobicContact CB-CD2 4.09Å; L291-L301 HydrophobicContact CB-CG 4.25Å; L291-L301 HydrophobicContact CD1-CD2 4.42Å
292H80.3Confident73.2Confident119 Ų11976.1 Ų76.155%0.55140%0.403SS*.Hα-helixtrans-58.2-31.8175.1-73138.4000114V288 R289V288-H292 PolarHBondContact O-N 3.05Å; V288-H292 PolarHBondContact O-ND1 3.08Å; R289-H292 PolarHBondContact O-N 3.2Å
293S81.7Confident71.8Confident82 Ų8276.6 Ų76.657%0.57341%0.408SS*.Hα-helixtrans-83.8-27.7-178.558.60000115.7R289 H290 L291R289-S293 PolarHBondContact O-N 2.76Å; R289-S293 PolarHBondContact O-OG 3.38Å; H290-S293 WeakPolarHBondContact CA-OG 3.32Å; H290-S293 PolarHBondContact O-N 2.82Å; H290-S293 VanDerWaalsContact O-N 3.13Å; H290-S293 PolarHBondContact O-OG 3.03Å; L291-S293 PolarHBondContact O-N 3.33Å
294L76.9Confident70Confident114 Ų11483.4 Ų83.460%0.59743%0.433SS*.Hα-helixtrans-130.5-17.5-169.7-66.5174000114H290 L291H290-L294 PolarHBondContact O-N 2.76Å; L291-L294 PolarHBondContact O-N 3.27Å
295H80Confident68Low31 Ų3182.4 Ų82.414%0.14444%0.439CS..  trans-139.656.6-175.4-56.5-84.5000110.8E276 C277 H290 L291 D297 S298E276-H295 WeakPolarHBondContact CB-ND1 3.19Å; E276-H295 IonicContact OE2-CE1 2.64Å; E276-H295 IonicContact OE2-CG 2.74Å; E276-H295 IonicContact OE2-ND1 3.73Å; E276-H295 PolarHBondContact OE2-ND1 3.15Å; C277-H295 PolarHBondContact SG-NE2 3.38Å; H290-H295 AromaticContact NE2-CD2 3.59Å; H290-H295 AromaticContact NE2-NE2 3.74Å; L291-H295 HydrophobicContact CD2-CB 3.89Å; L291-H295 CarbonylContact O-C 2.95Å; L291-H295 VanDerWaalsContact O-CA 3.24Å; L291-H295 WeakPolarHBondContact O-CA 3.42Å; L291-H295 PolarHBondContact O-N 3.43Å; L291-H295 VanDerWaalsContact O-O 3.1Å; H295-D297 PolarHBondContact O-N 3.13Å; H295-D297 VanDerWaalsContact O-N 3.14Å; H295-S298 WeakPolarHBondContact O-CB 3.44Å; H295-S298 PolarHBondContact O-N 3.04Å
296P69.1Low66.4Low83 Ų8382.6 Ų82.654%0.53945%0.445SS..THydrogen-bonded Turntrans-62.5-24.1-170.526-35.8000113.9
297D65.6Low64.4Low132 Ų13287.4 Ų87.471%0.70646%0.459SS*.THydrogen-bonded Turntrans-91.21.6177.6-67.6-61.6000114.2H295H295-D297 PolarHBondContact O-N 3.13Å; H295-D297 VanDerWaalsContact O-N 3.14Å
298S64.2Low62.3Low4 Ų495.1 Ų95.13%0.02849%0.488CS..  trans-59.3131.3-173.3-167.90000112.7E276 H295 L300 L301E276-S298 WeakPolarHBondContact OE1-CA 3.26Å; E276-S298 WeakPolarHBondContact OE1-CB 3.49Å; E276-S298 PolarHBondContact OE1-OG 2.92Å; H295-S298 WeakPolarHBondContact O-CB 3.44Å; H295-S298 PolarHBondContact O-N 3.04Å; S298-L300 PolarHBondContact O-N 2.95Å; S298-L300 VanDerWaalsContact O-N 3.07Å; S298-L301 WeakPolarHBondContact O-CB 3.42Å; S298-L301 PolarHBondContact O-N 3.45Å
299P60.1Low60.4Low97 Ų9798.2 Ų98.263%0.6351%0.506SS*.G310 helixtrans-63.1-21.5-174.723.7-33.9000113.8L301 K302P299-L301 PolarHBondContact O-N 3.47Å; P299-K302 PolarHBondContact O-N 3.14Å; P299-K302 VanDerWaalsContact O-N 3.12Å
300L58.3Low58.4Low74 Ų7494.3 Ų94.339%0.38752%0.518SS..G310 helixtrans-63.9-20.8175.9-66.8178.5000113.6L291 S298L291-L300 HydrophobicContact CD1-CB 4.05Å; L291-L300 HydrophobicContact CD1-CD1 4.28Å; S298-L300 PolarHBondContact O-N 2.95Å; S298-L300 VanDerWaalsContact O-N 3.07Å
301L58.8Low56Low50 Ų5096.7 Ų96.726%0.26255%0.547SS..G310 helixtrans-79.8-21.8175.8-64.1173.4000112.9V288 L291 S298 P299V288-L301 HydrophobicContact CG1-CD2 4.14Å; L291-L301 HydrophobicContact CB-CD1 4.22Å; L291-L301 HydrophobicContact CB-CD2 4.09Å; L291-L301 HydrophobicContact CB-CG 4.25Å; L291-L301 HydrophobicContact CD1-CD2 4.42Å; S298-L301 WeakPolarHBondContact O-CB 3.42Å; S298-L301 PolarHBondContact O-N 3.45Å; P299-L301 PolarHBondContact O-N 3.47Å
302K52.1Low54.4Low173 Ų173105.6 Ų105.675%0.75259%0.594SS**THydrogen-bonded Turntrans-100.4-3.9-173.5-80.7166.4179.8158.90115.1P299P299-K302 PolarHBondContact O-N 3.14Å; P299-K302 VanDerWaalsContact O-N 3.12Å
303G45.2Very low52.1Low48 Ų48103.3 Ų103.350%0.49560%0.603SS.*SBendtrans172.7133.6166.400000118.2
304K37.7Very low50Low204 Ų204105.8 Ų105.889%0.88761%0.614SS**  trans49.981.4158.8-67.3171.3-179.8169.20116.2T306K304-T306 PolarHBondContact O-N 3.21Å; K304-T306 VanDerWaalsContact O-N 3.12Å
305A37.5Very low48.2Very low67 Ų67106.8 Ų106.855%0.55463%0.628SS**  trans-55.1112.5171.400000113
306T44.9Very low45.9Very low121 Ų121109.8 Ų109.874%0.74266%0.658SS**  trans-85.8122.1176.457.10000111.2K304 R308K304-T306 PolarHBondContact O-N 3.21Å; K304-T306 VanDerWaalsContact O-N 3.12Å; T306-R308 PolarHBondContact O-N 3.1Å
307R35.6Very low44.6Very low185 Ų185111.9 Ų111.970%0.69867%0.674SS**  trans-77.381.4-177.1-173.6-179.3-175.4-93.45111.3K270 V309K270-R307 VanDerWaalsContact NZ-CG 3.31Å; R307-V309 PolarHBondContact O-N 3.36Å
308R36.8Very low43Very low177 Ų177109.2 Ų109.267%0.66868%0.678SS**PPolyproline II helixtrans-50.4124.8171.3-73.8-165.9-163.3-108.17110.6K270 E275 T306K270-R308 WeakPolarHBondContact CE-O 3.33Å; K270-R308 PolarHBondContact NZ-O 3.08Å; E275-R308 IonicContact OE1-CZ 3.41Å; E275-R308 IonicContact OE1-NE 3.05Å; E275-R308 PolarHBondContact OE1-NE 3.35Å; E275-R308 IonicContact OE1-NH2 2.9Å; E275-R308 PolarHBondContact OE1-NH2 3.35Å; E275-R308 IonicContact OE2-NH2 3.94Å; T306-R308 PolarHBondContact O-N 3.1Å
309V40Very low41.6Very low113 Ų113114.3 Ų114.369%0.68571%0.714SS**PPolyproline II helixtrans-95.9131.2164.5-179.60000106.1R307 G311R307-V309 PolarHBondContact O-N 3.36Å; V309-G311 PolarHBondContact O-N 3.17Å
310G40.7Very low40.4Very low84 Ų84118.1 Ų118.187%0.86673%0.727SS**PPolyproline II helixtrans-62.6121.8-170.800000112.4
311G32.5Very low39.1Very low69 Ų69118.2 Ų118.271%0.71175%0.745SS**  trans-134131.816500000108.1V309 G313V309-G311 PolarHBondContact O-N 3.17Å; G311-G313 PolarHBondContact O-N 3.37Å
312L44.4Very low37.8Very low191 Ų191119.5 Ų119.5100%177%0.771SS**  trans-65.4128.8177.5-82.771.1000109.5
313G32.9Very low36.8Very low71 Ų71117.2 Ų117.273%0.73278%0.777SS**  trans-135.4112171.200000109.8G311G311-G313 PolarHBondContact O-N 3.37Å
314T37.3Very low36.3Very low133 Ų133119.4 Ų119.482%0.81679%0.79SS**  trans-73.1134.5174.346.90000110.6A316T314-A316 PolarHBondContact O-N 3.44Å
315P39.7Very low36.4Very low135 Ų135115.3 Ų115.388%0.87778%0.784SS**  trans-73.7119.4165.830.2-30.9000109.3
316A30.4Very low36.1Very low94 Ų94117.5 Ų117.578%0.77780%0.796SS**  trans-104.4132.1166.300000108.6T314T314-A316 PolarHBondContact O-N 3.44Å
317S41.2Very low35.7Very low127 Ų127117.1 Ų117.189%0.88880%0.798SS**  trans-65.7145.2-179.3-500000112.4
318G32.7Very low36.2Very low76 Ų76113.7 Ų113.778%0.78480%0.8SS**  trans-159.699.2172.300000110.5
319S35.4Very low36Very low111 Ų111115.5 Ų115.578%0.77681%0.807SS**  trans-79.9179.7178.3-50.50000112.3
320I34.7Very low35.6Very low178 Ų178117.2 Ų117.291%0.91381%0.807SS**  trans88.2135.6178.893.6-179.1000114.9
321G30.1Very low35.1Very low75 Ų75117.5 Ų117.577%0.77380%0.802SS**  cis-164.4153.3-5.400000110.2
322G32.4Very low35Very low78 Ų78121.2 Ų121.280%0.80481%0.805SS**  trans-83.7149.9179.900000112.7
323S30.6Very low34.5Very low125 Ų125116 Ų11687%0.87479%0.785SS**  trans-170.5115.8147.2-91.80000109.2
324A33.8Very low34.6Very low93 Ų93119.5 Ų119.577%0.76979%0.787SS**  trans-78.3160.1150.400000107.9
325P41.7Very low34.9Very low118 Ų118119.9 Ų119.977%0.76678%0.784SS**  -145.4153.592.135.8-19.3000116.1
326S31.1Very low35Very low113 Ų113118.9 Ų118.979%0.7978%0.775SS**  trans34119.7135.3-46.10000121
327S34.8Very low35.3Very low113 Ų113121.7 Ų121.779%0.7978%0.777SS**  trans-56.8161.8147.1-34.70000110.7
328P46.3Very low35Very low114 Ų114118.7 Ų118.774%0.7477%0.766SS**  -154.4160.67644.1-25.4000117.9
329R32.5Very low35.3Very low214 Ų214120.3 Ų120.381%0.80877%0.766SS**  86.3134.8127.8-96.8-169.6165.5-157.8-10.1125.2
330E31.7Very low35.5Very low149 Ų149120.2 Ų120.270%0.69677%0.771SS**  trans73.2140.3153.2-48.1-56.288.400123.3
331A31.6Very low35.7Very low91 Ų91114.8 Ų114.875%0.75276%0.759SS**  trans68.5144.2144.100000120.3
332D29.7Very low36.5Very low146 Ų146124.3 Ų124.378%0.78178%0.784SS**  cis-162.9177.6-16.6-145.9-74.6000110
333S33.7Very low36.7Very low83 Ų83126.7 Ų126.758%0.5878%0.783SS**  trans56.8125.8147.462.50000123.3
334D34.3Very low37Very low144 Ų144126.7 Ų126.777%0.7778%0.778SS**  trans65.7153.7144.8-62.8-57.5000119.7
335D44.1Very low37.2Very low141 Ų141128.6 Ų128.675%0.75478%0.779SS**  cis-143.3-178.215.9-146.7-42.9000112.5
336T41.3Very low36.9Very low113 Ų113129.2 Ų129.269%0.69378%0.779SS**  trans-110.6166.1-166.959.30000114.6
337N37.6Very low37.3Very low153 Ų153130.3 Ų130.382%0.81878%0.779SS**  trans83.3153.8145.8-156.110.1000120.4
338G33.9Very low37.4Very low64 Ų64131.4 Ų131.466%0.6678%0.778SS**  trans102.882.5169.400000114.8
339S40.7Very low36.8Very low111 Ų111132.6 Ų132.678%0.77678%0.781SS**  71.5136.758.4-66.70000116.6
340A39.4Very low37.1Very low108 Ų108126.4 Ų126.489%0.89378%0.779SS**  trans69.7141.1174.400000117.8
341G39Very low37.6Very low64 Ų64124.5 Ų124.566%0.6679%0.786SS**  cis139.3107.7-8.300000114.1
342Q45.4Very low38.1Very low276 Ų276127.5 Ų127.5100%1.2979%0.789SS**  trans-174.30144.3-107.9162.690.600109.7

Retrieved 342 of 342 residues in 135.4 ms (Link to these results)