A0A087XUN3_POEFO Loading...

Heart- and neural crest derivatives-expressed protein 2

AlphaFold DB , UniProt , Accession A0A087XUN3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 245 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M41.7Very low49.8Very low241 Ų241150.2 Ų150.2100%1.18784%0.839SS**  093.70-61.2170.597.600106.6
2S41.8Very low49.8Very low118 Ų118149.8 Ų149.883%0.82583%0.831SS**  trans-92.7120.7-176.3-58.90000109.4V4S2-V4 PolarHBondContact O-N 2.79Å
3L53.2Low49.8Very low184 Ų184150.9 Ų150.996%0.96383%0.829SS**  trans-91.991.1173.7-68.3171000108.6
4V53.2Low49.6Very low138 Ų138151.2 Ų151.284%0.83682%0.821SS**  trans-91.6114.9168.563.70000108.5S2S2-V4 PolarHBondContact O-N 2.79Å
5S51.1Low49.7Very low95 Ų95153.7 Ų153.766%0.66483%0.825SS**  trans-68.8124.5175.3-178.90000109.6
6G45.2Very low49.5Very low74 Ų74154.9 Ų154.976%0.76382%0.823SS**  trans-86.6127173.300000111.4
7Y50.9Low49.3Very low211 Ų211152.8 Ų152.883%0.82781%0.812SS**  trans-114.1127.4163.9-88.7-89000108.7
8P56.8Low48.8Very low116 Ų116151.1 Ų151.175%0.75382%0.815SS**PPolyproline II helixtrans-80.8137.2171.229.7-29.1000111.7
9H49.3Very low48.8Very low192 Ų192150.3 Ų150.389%0.88981%0.805SS**PPolyproline II helixtrans-69.2133.9177.5-125.1-107.4000111.5
10H50.1Low48.6Very low173 Ų173151.9 Ų151.980%0.80181%0.807SS**PPolyproline II helixtrans-95.7138.2165.8-74.6-81.9000110.4
11P54.9Low48.3Very low110 Ų110153.7 Ų153.771%0.71480%0.804SS**PPolyproline II helixtrans-81.9137.7176.430.7-31.5000112.6
12I49.2Very low48Very low145 Ų145147.5 Ų147.574%0.74478%0.784SS**PPolyproline II helixtrans-72.6124.1173.5-70163.6000109.2
13M49.9Very low48Very low165 Ų165149.5 Ų149.581%0.81379%0.785SS**  trans-86.1114.4167.3-75.2-76.9103.200109.4
14H47.7Very low47.6Very low155 Ų155150.1 Ų150.172%0.71878%0.782SS**  trans-74.8125.4166.8-94.8-102.8000109.8
15H51.1Low46.8Very low189 Ų189147.7 Ų147.788%0.87578%0.777SS**  trans-108.8117.1161.6-109.5-63.5000109.1
16H45.5Very low46.1Very low173 Ų173148.2 Ų148.280%0.80179%0.787SS**  trans-81.9144171.2-90.2-99.4000111.2
17D45.9Very low45.6Very low119 Ų119149.4 Ų149.464%0.63679%0.789SS**  trans-74.6145.9179.3-156-69.4000112.8H19D17-H19 IonicContact OD1-CD2 3.51Å; D17-H19 PolarHBondContact OD1-CD2 2.83Å; D17-H19 VanDerWaalsContact OD1-CD2 3.24Å; D17-H19 IonicContact OD1-NE2 2.9Å
18S40.6Very low45.5Very low122 Ų122144.3 Ų144.385%0.85379%0.791SS**  trans-166.5114.8147.5-88.70000112.5
19H49.3Very low44.6Very low135 Ų135142.3 Ų142.363%0.62579%0.792SS**  trans-59.7141.3172.5-64.7-94.1000114.5D17 Y21D17-H19 IonicContact OD1-CD2 3.51Å; D17-H19 PolarHBondContact OD1-CD2 2.83Å; D17-H19 VanDerWaalsContact OD1-CD2 3.24Å; D17-H19 IonicContact OD1-NE2 2.9Å; H19-Y21 HydrophobicContact CB-CE2 4.08Å
20H44.6Very low44.1Very low183 Ų183144.4 Ų144.485%0.84779%0.792SS**  trans-135.5114.4154.2-154.2-93.8000110
21Y41.4Very low43.8Very low189 Ų189142.7 Ų142.774%0.74180%0.798SS**  trans-80.5134.7174.4-64.2-92.5000109.7H19H19-Y21 HydrophobicContact CB-CE2 4.08Å
22S36.8Very low43.1Very low111 Ų111145.5 Ų145.578%0.77680%0.801SS**  trans-154.7118.9153.4-97.30000111.4
23L41.4Very low42.5Very low161 Ų161145.8 Ų145.884%0.84380%0.799SS**  trans-56.9138.2168.9-94.678.8000111
24H44.6Very low42.3Very low197 Ų197145.6 Ų145.691%0.91280%0.801SS**  trans-132.2107.8142.4-141.7-151.7000108.6
25A36.3Very low42.4Very low87 Ų87143.6 Ų143.672%0.71980%0.8SS**  trans-84.8133.6171.900000109.1
26A36.5Very low42.2Very low105 Ų105138.2 Ų138.287%0.86880%0.795SS**  trans-138.1131.6155.700000108.4
27A35.5Very low42.7Very low99 Ų99132.9 Ų132.982%0.81878%0.781SS**  trans-82.9148.7-154.200000115.2
28A47.9Very low43.1Very low105 Ų105129.9 Ų129.987%0.86877%0.769SS**  trans44.6111.213900000119.5
29G37.6Very low43.9Very low74 Ų74130.7 Ų130.776%0.76377%0.771SS**  trans-146.667.4163.100000112.1
30R39.7Very low44.2Very low235 Ų235132.8 Ų132.889%0.88778%0.775SS**  trans66.9104.1150-61.9174.2144.1-104.9-5.8118.3H32R30-H32 PolarHBondContact O-N 2.94Å
31C43.5Very low44.3Very low138 Ų138131.5 Ų131.593%0.93277%0.767SS**  trans-42.5123.7148.2-48.80000109.8
32H40.5Very low44.8Very low169 Ų169127.5 Ų127.578%0.78276%0.762SS**  trans-119143.4163.8-166.964.6000108.5R30R30-H32 PolarHBondContact O-N 2.94Å
33E36.4Very low45.6Very low151 Ų151127.6 Ų127.671%0.70676%0.763SS**  trans-69.7153.4-145-68.1177.591.900115.2T35E33-T35 PolarHBondContact O-N 3.17Å
34D46.2Very low46Very low161 Ų161128.7 Ų128.786%0.86176%0.756SS**  trans-52.878.4152.9-172.420.5000110.4G36D34-G36 PolarHBondContact O-N 3.29Å
35T48.3Very low46.5Very low113 Ų113126.2 Ų126.269%0.69375%0.749SS**  trans-80.8102158.345.40000107E33 A37E33-T35 PolarHBondContact O-N 3.17Å; T35-A37 PolarHBondContact O-N 2.96Å
36G48.2Very low47.3Very low75 Ų75128.5 Ų128.577%0.77375%0.747SS**  trans-59.564.617600000114.3D34D34-G36 PolarHBondContact O-N 3.29Å
37A54.9Low47.7Very low61 Ų61127.8 Ų127.850%0.50474%0.736SS.*  trans-95.6123.4168.500000108.2T35T35-A37 PolarHBondContact O-N 2.96Å
38P54.4Low48.3Very low57 Ų57131.3 Ų131.337%0.3774%0.735SS.*  trans-67.7150.5-178.130.5-36.6000110.9Y40P38-Y40 HydrophobicContact CB-CD1 3.53Å; P38-Y40 HydrophobicContact CB-CE1 3.28Å; P38-Y40 HydrophobicContact CG-CD1 3.83Å; P38-Y40 HydrophobicContact CG-CE1 3.26Å; P38-Y40 PolarHBondContact O-N 3.18Å
39P57.5Low48.4Very low138 Ų138130.9 Ų130.990%0.89673%0.732SS**THydrogen-bonded Turntrans-65.61.1-169.326.4-36000115
40Y55.4Low48.9Very low180 Ų180134.4 Ų134.471%0.70673%0.733SS**THydrogen-bonded Turntrans-102.6-7.1-171.269.5-98.1000115.2P38P38-Y40 HydrophobicContact CB-CD1 3.53Å; P38-Y40 HydrophobicContact CB-CE1 3.28Å; P38-Y40 HydrophobicContact CG-CD1 3.83Å; P38-Y40 HydrophobicContact CG-CE1 3.26Å; P38-Y40 PolarHBondContact O-N 3.18Å
41F46.7Very low49Very low155 Ų155129.4 Ų129.468%0.6872%0.721SS**SBendtrans-117-8.4-167.5-132.3-100.5000118.7
42T52.3Low49.1Very low105 Ų105126.3 Ų126.364%0.64470%0.701SS**SBendtrans-105.716.3-168.553.80000116
43S53.8Low49.4Very low113 Ų113124.3 Ų124.379%0.7970%0.703SS**SBendtrans-95.1-12.3178.9-159.30000114.5
44W49.6Very low49.9Very low184 Ų184122.8 Ų122.870%0.69770%0.704SS**SBendtrans-103.7-17.9-176-75.792.4000114.8R133W44-R133 HydrophobicContact CH2-CB 4.42Å; W44-R133 VanDerWaalsContact CH2-CD 3.46Å; W44-R133 HydrophobicContact CH2-CG 3.57Å; W44-R133 VanDerWaalsContact CH2-NE 3.28Å; W44-R133 HydrophobicContact CZ2-CG 3.88Å
45L56.1Low49.6Very low146 Ų146123 Ų12376%0.76470%0.7SS**SBendtrans-84.4118.9171.1-140.871000107.4S47L45-S47 PolarHBondContact O-N 3.12Å
46I53.1Low49.5Very low135 Ų135128.1 Ų128.169%0.69271%0.708SS**  trans-52.7117.3161.8-73.5160.6000105.9H48I46-H48 PolarHBondContact O-N 3.32Å
47S43.8Very low49.5Very low90 Ų90129.5 Ų129.563%0.62971%0.706SS**  trans-55.2105170.8-70.80000108.2L45 A49L45-S47 PolarHBondContact O-N 3.12Å; S47-A49 PolarHBondContact O-N 3.02Å; S47-A49 VanDerWaalsContact O-N 3.16Å
48H48.4Very low49.4Very low173 Ų173134.6 Ų134.680%0.80172%0.724SS**G310 helixtrans-66.4-3.9168.3-105.7-85000112.3I46I46-H48 PolarHBondContact O-N 3.32Å
49A50.6Low48.9Very low96 Ų96136 Ų13679%0.79374%0.741SS**G310 helixtrans-83.8-3.3-177.700000114.6S47S47-A49 PolarHBondContact O-N 3.02Å; S47-A49 VanDerWaalsContact O-N 3.16Å
50D47.8Very low48.4Very low148 Ų148135.5 Ų135.579%0.79174%0.737SS**G310 helixtrans-12223.6178.5-117.8-25.9000113.1
51M42.2Very low47.5Very low130 Ų130130.6 Ų130.664%0.6474%0.741SS**  trans-105.3114.5163.1-87.4-7496.100109.3
52S44.8Very low47.2Very low73 Ų73133.1 Ų133.151%0.5175%0.748SS.*  trans-60.9146.2169.761.60000109.9T54S52-T54 PolarHBondContact O-N 3.06Å
53P47.7Very low46.4Very low126 Ų126132.6 Ų132.682%0.81875%0.748SS**THydrogen-bonded Turntrans-71.26.6-172.5-16.931000115.8
54T47.3Very low46.3Very low119 Ų119131.2 Ų131.273%0.7374%0.737SS**THydrogen-bonded Turntrans-99.3-6.7-166.744.50000116.1S52S52-T54 PolarHBondContact O-N 3.06Å
55E38.9Very low45.5Very low166 Ų166128.5 Ų128.578%0.77673%0.731SS**SBendtrans-99.33.7178.7-82.9-166.6148.900115S57E55-S57 VanDerWaalsContact C-N 3.32Å; E55-S57 PolarHBondContact O-N 3.37Å
56Y45.5Very low44.8Very low220 Ų220129.6 Ų129.686%0.86373%0.727SS**SBendtrans-81.3-4.7177-156.2-99000114.4L58Y56-L58 PolarHBondContact O-N 3.37Å
57S49.2Very low44.1Very low105 Ų105131 Ų13173%0.73473%0.73SS**SBendtrans-100.442.9-175.2-72.90000115.2E55E55-S57 VanDerWaalsContact C-N 3.32Å; E55-S57 PolarHBondContact O-N 3.37Å
58L51.7Low43.7Very low168 Ų168132.8 Ų132.888%0.8874%0.737SS**  trans-15171.3158.7-94.3113.6000110.6Y56Y56-L58 PolarHBondContact O-N 3.37Å
59A44.3Very low43.2Very low87 Ų87131.8 Ų131.872%0.71974%0.738SS**  trans-73.8128.2153.700000108.2G61A59-G61 PolarHBondContact O-N 3.16Å; A59-G61 VanDerWaalsContact O-N 3.12Å
60P46.9Very low42.4Very low127 Ų127132.7 Ų132.783%0.82574%0.739SS**  trans-61.2115.4160.3-13.828000106.9Y62P60-Y62 PolarHBondContact O-N 3.3Å
61G36.3Very low41.8Very low76 Ų76129.4 Ų129.478%0.78474%0.739SS**  trans-57.7104-18000000110.9A59 S63A59-G61 PolarHBondContact O-N 3.16Å; A59-G61 VanDerWaalsContact O-N 3.12Å; G61-S63 PolarHBondContact O-N 3.27Å
62Y41.7Very low41.3Very low209 Ų209126.6 Ų126.682%0.8274%0.744SS**  trans-77.695.6157.1-177.7-96.1000106.4P60 P64P60-Y62 PolarHBondContact O-N 3.3Å; Y62-P64 HydrophobicContact CD1-CG 4.48Å; Y62-P64 HydrophobicContact CE1-CB 4.32Å; Y62-P64 HydrophobicContact CE1-CG 4.03Å
63S36Very low40.6Very low93 Ų93129.9 Ų129.965%0.6576%0.756SS**  trans-109.4113.8169.7-169.10000108.8G61G61-S63 PolarHBondContact O-N 3.27Å
64P51.3Low40.2Very low85 Ų85128.3 Ų128.355%0.55275%0.748SS**  trans-92.292.5172.632.9-24.6000109.2Y62Y62-P64 HydrophobicContact CD1-CG 4.48Å; Y62-P64 HydrophobicContact CE1-CB 4.32Å; Y62-P64 HydrophobicContact CE1-CG 4.03Å
65E32Very low39.9Very low126 Ų126128.5 Ų128.559%0.58975%0.754SS**  trans-120.7127.8170.4-70.3-71.9161.900110
66Y41.7Very low39.7Very low169 Ų169124.5 Ų124.566%0.66376%0.757SS**  trans-85.5105.3-175.336.2-81.5000108.3
67H38.9Very low38.9Very low165 Ų165117 Ų11776%0.76475%0.747SS**  trans-141.4133.8162.3-82.2-68.5000113.4
68T35.8Very low38.5Very low127 Ų127120 Ų12078%0.77975%0.753SS**  trans-66.6139.7-17654.70000112.3
69N36.2Very low37.7Very low152 Ų152119.3 Ų119.381%0.81375%0.751SS**  trans15.3123.6145.5-163.948.8000118.6
70S35.1Very low37.5Very low116 Ų116119.5 Ų119.581%0.81175%0.753SS**  trans-179.5141.7132-77.30000111.1
71G34.3Very low36.9Very low78 Ų78124.6 Ų124.680%0.80476%0.755SS**  trans-88.4-172.7-177.400000116.1
72G32.3Very low37.1Very low71 Ų71129.3 Ų129.373%0.73276%0.757SS**  trans94.814518000000111.9
73D30.3Very low37Very low143 Ų143127.1 Ų127.177%0.76575%0.754SS**  cis179.7161.3-8.258.9-60.1000106.1
74S39.3Very low37.1Very low93 Ų93130.9 Ų130.965%0.6576%0.76SS**  trans75.1101.7150.4-51.50000122
75S39.5Very low36.2Very low123 Ų123135.8 Ų135.886%0.8678%0.776SS**  55.9129122.665.10000123.8
76G34.8Very low36.3Very low82 Ų82141.5 Ų141.585%0.84579%0.794SS**  trans139.4110.6153.400000110.3
77G30.1Very low35.9Very low63 Ų63136.6 Ų136.665%0.64980%0.795SS**  cis118129.725.500000107.8
78L39.2Very low36.4Very low166 Ų166135 Ų13587%0.86980%0.799SS**  trans74.8133.3166.8-28.5169.7000113.1
79D36.4Very low36.4Very low154 Ų154131.9 Ų131.982%0.82479%0.792SS**  cis-155.8141.724-3.6-82.5000110.8
80A39Very low36.5Very low92 Ų92132.8 Ų132.876%0.7680%0.797SS**  trans-103.8146.616500000109.3
81R35.8Very low36.7Very low233 Ų233134.8 Ų134.888%0.87979%0.793SS**  trans127.1124.3148.7-69.2-179.6101.3143.18113.6
82H39.2Very low37Very low175 Ų175137.5 Ų137.581%0.8179%0.788SS**  trans158.8135.5140.4-87.790.8000106.3
83H39.3Very low37.4Very low163 Ų163141.5 Ų141.576%0.75579%0.791SS**  cis-165.5159.7-11.7-138.5-105.9000105.6
84H38.2Very low38.1Very low172 Ų172140.5 Ų140.580%0.79679%0.792SS**  trans-53.6140.2-177.3-75.3-108.1000116
85H33.7Very low38Very low188 Ų188139 Ų13987%0.8779%0.792SS**  trans-150.8105.1148.8-108.1-76.3000110.2
86Y34.2Very low38.5Very low246 Ų246140 Ų14097%0.96580%0.795SS**  trans-135.9134.4162.6-94-77.9000110.3
87G32.7Very low38.7Very low67 Ų67139.6 Ų139.669%0.69179%0.792SS**  trans156.4146170.500000108.7
88P49.5Very low39.3Very low132 Ų132143.4 Ų143.486%0.85780%0.803SS**  cis-117.616515.327.6-5.8000112
89G35.3Very low39.5Very low60 Ų60143.2 Ų143.262%0.61980%0.801SS**  100.8125.953.700000109.8
90N39.3Very low39.9Very low171 Ų171140.8 Ų140.891%0.91480%0.796SS**  trans114.9136.2176.2-629.1000112.6
91H38.3Very low40Very low158 Ų158143.8 Ų143.873%0.73180%0.796SS**  cis-165.7160.9-19.691.2-38.1000108.3
92L40Very low40.5Very low135 Ų135139.7 Ų139.771%0.70779%0.792SS**  trans94.7105.6168.2-53.3-33.5000120.7
93I41.2Very low40.5Very low155 Ų155134.5 Ų134.580%0.79579%0.785SS**  trans-68.4138.9140.6-68.3177.6000108.9
94P45.9Very low40.7Very low122 Ų122131.8 Ų131.879%0.79279%0.791SS**  -134.7120.499.915.16.9000111.1
95G35.4Very low41Very low63 Ų63130 Ų13065%0.64979%0.793SS**  107.4134.290.800000110
96P51.4Low41.8Very low142 Ų142126.7 Ų126.792%0.92279%0.785SS**  trans-87.3130.3-17234-30.3000111
97G38.3Very low42.1Very low75 Ų75117.8 Ų117.877%0.77377%0.768SS**  trans-161.575.7179.600000111.4I99G97-I99 PolarHBondContact O-N 3.46Å
98T43Very low42.9Very low143 Ų143120.9 Ų120.988%0.87777%0.766SS**  trans-73.1107.7163.948.70000109.1
99I42.4Very low42.6Very low161 Ų161122.4 Ų122.483%0.82676%0.761SS**  trans-144109.2151.8-50.3178.3000108.3G97G97-I99 PolarHBondContact O-N 3.46Å
100S44.7Very low43.1Very low103 Ų103126.7 Ų126.772%0.7277%0.765SS**  trans-78128.3164.8176.80000108.9
101M41.7Very low43.5Very low156 Ų156126.1 Ų126.177%0.76876%0.757SS**  trans-158.1109.8150.1-79.9-54.6163.800110
102N47.3Very low43.9Very low147 Ų147125.2 Ų125.279%0.78675%0.752SS**  trans52.5101.8140.4-51.6-21.6000119.4
103G37.8Very low44.3Very low66 Ų66126.8 Ų126.868%0.6876%0.756SS**  trans-176.4111.6159.200000110.5T105G103-T105 PolarHBondContact O-N 2.92Å
104A43.4Very low44.7Very low106 Ų106126.2 Ų126.288%0.87675%0.749SS**  trans-51.6102.3-179.600000111.6V106A104-V106 PolarHBondContact O-N 3.05Å; A104-V106 VanDerWaalsContact O-N 3.17Å
105T45.2Very low44.9Very low135 Ų135124.5 Ų124.583%0.82875%0.745SS**  trans-78.198.5168.258.80000107.2G103 G107G103-T105 PolarHBondContact O-N 2.92Å; T105-G107 PolarHBondContact O-N 2.98Å
106V50.8Low45.8Very low118 Ų118129.1 Ų129.172%0.71575%0.75SS**  trans-49.9111.3162.5-82.30000108.2A104 M108A104-V106 PolarHBondContact O-N 3.05Å; A104-V106 VanDerWaalsContact O-N 3.17Å; V106-M108 VanDerWaalsContact C-N 3.25Å; V106-M108 PolarHBondContact O-N 3.5Å
107G39.6Very low46.2Very low58 Ų58128.4 Ų128.460%0.59875%0.745SS**  trans-6487.6174.200000109.3T105 H109T105-G107 PolarHBondContact O-N 2.98Å; G107-H109 PolarHBondContact O-N 3.28Å
108M49.5Very low47.2Very low133 Ų133135.3 Ų135.366%0.65575%0.748SS**  trans-71.580.2164.5-73.3-73.6107.300107.3V106 H110V106-M108 VanDerWaalsContact C-N 3.25Å; V106-M108 PolarHBondContact O-N 3.5Å; M108-H110 PolarHBondContact O-N 3.34Å
109H44.7Very low48.1Very low163 Ų163133.3 Ų133.376%0.75574%0.736SS**  trans-64.181.3163.6-75.6-131.1000107.1G107 H111G107-H109 PolarHBondContact O-N 3.28Å; H109-H111 PolarHBondContact O-N 2.96Å
110H45.6Very low48.9Very low150 Ų150132.5 Ų132.569%0.69473%0.732SS**  trans-65.892.5164.6-81.379.7000106.1M108 H112M108-H110 PolarHBondContact O-N 3.34Å; H110-H112 PolarHBondContact O-N 3.13Å
111H47.8Very low49.6Very low160 Ų160137.4 Ų137.474%0.74174%0.74SS**  trans-56.590153.1-84.3-80.7000106.6H109 H113H109-H111 PolarHBondContact O-N 2.96Å; H111-H113 PolarHBondContact O-N 2.69Å
112H45.6Very low50.3Low138 Ų138141.2 Ų141.264%0.63975%0.746SS**  trans-65.685.1166.3-131.292.3000105.3H110 H114H110-H112 PolarHBondContact O-N 3.13Å; H112-H114 AromaticContact CD2-CE1 3.35Å; H112-H114 PolarHBondContact CD2-CE1 2.97Å; H112-H114 AromaticContact CD2-ND1 3.43Å; H112-H114 PolarHBondContact CD2-ND1 3.31Å; H112-H114 PolarHBondContact O-N 2.96Å
113H48.4Very low51.3Low169 Ų169141 Ų14178%0.78273%0.734SS**  trans-57.392.8154.9-78.7-80.2000105H111 A115H111-H113 PolarHBondContact O-N 2.69Å; H113-A115 PolarHBondContact O-N 3.35Å
114H49.4Very low53.4Low142 Ų142142 Ų14266%0.65773%0.729SS**  trans-62.879.5163-72.2-57.3000106.4H112 H116H112-H114 AromaticContact CD2-CE1 3.35Å; H112-H114 PolarHBondContact CD2-CE1 2.97Å; H112-H114 AromaticContact CD2-ND1 3.43Å; H112-H114 PolarHBondContact CD2-ND1 3.31Å; H112-H114 PolarHBondContact O-N 2.96Å; H114-H116 VanDerWaalsContact C-N 3.25Å; H114-H116 PolarHBondContact O-N 2.82Å; H114-H116 PolarHBondContact O-ND1 3.3Å
115A51.7Low55.2Low86 Ų86142.1 Ų142.171%0.71172%0.719SS**  trans-54.2101.3160.800000104.8H113 P117H113-A115 PolarHBondContact O-N 3.35Å; A115-P117 VanDerWaalsContact O-CD 3.25Å; A115-P117 WeakPolarHBondContact O-CD 3.47Å
116H54.1Low57.2Low160 Ų160138.3 Ų138.374%0.74170%0.701SS**  trans-53.5117.7174.4-71.656.6000106.1H114 R118H114-H116 VanDerWaalsContact C-N 3.25Å; H114-H116 PolarHBondContact O-N 2.82Å; H114-H116 PolarHBondContact O-ND1 3.3Å; H116-R118 VanDerWaalsContact C-N 3.3Å; H116-R118 PolarHBondContact O-N 3.26Å
117P59Low59.2Low128 Ų128137.7 Ų137.783%0.83169%0.693SS**  trans-66.698.2178.525.1-30000107A115 T119A115-P117 VanDerWaalsContact O-CD 3.25Å; A115-P117 WeakPolarHBondContact O-CD 3.47Å; P117-T119 PolarHBondContact O-N 2.93Å
118R59.8Low61.8Low219 Ų219142.8 Ų142.883%0.82670%0.695SS**  trans-60.1104.8175.7-72.9-170.6-75.3-151.6-3109.3H116H116-R118 VanDerWaalsContact C-N 3.3Å; H116-R118 PolarHBondContact O-N 3.26Å
119T61.2Low64Low101 Ų101143.5 Ų143.562%0.6269%0.694SS**  trans51.499.7137.563.10000118.4P117 R123P117-T119 PolarHBondContact O-N 2.93Å; T119-R123 PolarHBondContact O-NH1 3.48Å
120I59.6Low66.4Low144 Ų144140 Ų14074%0.73868%0.678SS**  trans-132.7-18.4163.6-56.8180000114.6R122I120-R122 PolarHBondContact O-N 3.12Å
121K58.8Low68.9Low206 Ų206142.2 Ų142.290%0.89668%0.68SS**THydrogen-bonded Turntrans-79.3-8.2-167.5-79.3-179.1174.2179.20117.7
122R57.4Low71.3Confident236 Ų236142.3 Ų142.389%0.89167%0.674SS**THydrogen-bonded Turntrans-97.610-176.2-60.5-164.279.1-162.54.8116.1I120I120-R122 PolarHBondContact O-N 3.12Å
123R68.7Low73.8Confident143 Ų143140.7 Ų140.754%0.5466%0.662SS.*  trans-103.9-9.5-173.3-62-168.5176.51050118.7T119 T125 A126 N127T119-R123 PolarHBondContact O-NH1 3.48Å; R123-T125 PolarHBondContact O-N 2.78Å; R123-A126 PolarHBondContact O-N 3.45Å; R123-N127 WeakPolarHBondContact O-CB 3.12Å; R123-N127 PolarHBondContact O-N 3.3Å; R123-N127 PolarHBondContact O-OD1 2.96Å; R123-N127 VanDerWaalsContact O-OD1 3.11Å
124P80.7Confident76.1Confident88 Ų88135.2 Ų135.257%0.57164%0.641SS**Hα-helixtrans-68.5-36.6-17326.6-32.6000112.7R128P124-R128 VanDerWaalsContact O-CB 3.31Å; P124-R128 WeakPolarHBondContact O-CB 3.29Å; P124-R128 PolarHBondContact O-N 3.23Å
125T81.4Confident78.4Confident108 Ų108134.4 Ų134.466%0.66364%0.637SS**Hα-helixtrans-69.7-45.4177.851.80000111.6R123 R128 K129R123-T125 PolarHBondContact O-N 2.78Å; T125-R128 PolarHBondContact O-N 3.35Å; T125-K129 PolarHBondContact O-N 2.88Å
126A87.1Confident80.7Confident55 Ų55133.7 Ų133.746%0.45563%0.627SS.*Hα-helixtrans-60.9-46.8175.800000112R123 R128 K129 E130R123-A126 PolarHBondContact O-N 3.45Å; A126-R128 VanDerWaalsContact C-N 3.32Å; A126-R128 PolarHBondContact O-N 3.03Å; A126-K129 WeakPolarHBondContact O-CB 3.26Å; A126-K129 PolarHBondContact O-N 3.35Å; A126-E130 PolarHBondContact O-N 3.49Å
127N93.9Very high82.8Confident104 Ų104128.7 Ų128.756%0.55661%0.605SS**Hα-helixtrans-64.6-36.8178.3-71.621.5000112.2R123 R131R123-N127 WeakPolarHBondContact O-CB 3.12Å; R123-N127 PolarHBondContact O-N 3.3Å; R123-N127 PolarHBondContact O-OD1 2.96Å; R123-N127 VanDerWaalsContact O-OD1 3.11Å; N127-R131 PolarHBondContact O-N 3.04Å; N127-R131 VanDerWaalsContact O-N 3.08Å
128R93.4Very high84.6Confident166 Ų166126 Ų12663%0.62658%0.584SS**Hα-helixtrans-63.8-42.5174.1-176.3-179.3-68-176.8-3.7111P124 T125 A126 R131 R132P124-R128 VanDerWaalsContact O-CB 3.31Å; P124-R128 WeakPolarHBondContact O-CB 3.29Å; P124-R128 PolarHBondContact O-N 3.23Å; T125-R128 PolarHBondContact O-N 3.35Å; A126-R128 VanDerWaalsContact C-N 3.32Å; A126-R128 PolarHBondContact O-N 3.03Å; R128-R131 PolarHBondContact O-N 3.44Å; R128-R132 WeakPolarHBondContact O-CG 3.32Å; R128-R132 PolarHBondContact O-N 3.33Å; R128-R132 VanDerWaalsContact O-N 3.1Å
129K95.3Very high86.4Confident147 Ų147118.4 Ų118.464%0.63956%0.564SS**Hα-helixtrans-61.9-47.2177.1-172.1175.6180177.70111.4T125 A126 R131 R132 R133T125-K129 PolarHBondContact O-N 2.88Å; A126-K129 WeakPolarHBondContact O-CB 3.26Å; A126-K129 PolarHBondContact O-N 3.35Å; K129-R131 VanDerWaalsContact C-N 3.3Å; K129-R131 PolarHBondContact O-N 2.99Å; K129-R132 PolarHBondContact O-N 3.29Å; K129-R133 PolarHBondContact O-N 2.97Å
130E96.2Very high88.1Confident90 Ų90116 Ų11642%0.42156%0.555SS.*Hα-helixtrans-63.2-37.2179-175.153.9-142.600112.5A126 R133 T134A126-E130 PolarHBondContact O-N 3.49Å; E130-R133 WeakPolarHBondContact O-CB 3.39Å; E130-R133 PolarHBondContact O-N 2.88Å; E130-R133 IonicContact OE1-CZ 3.57Å; E130-R133 IonicContact OE1-NH1 3.98Å; E130-R133 PolarHBondContact OE1-NH1 2.94Å; E130-R133 VanDerWaalsContact OE2-CD 3.31Å; E130-R133 WeakPolarHBondContact OE2-CD 3.37Å; E130-R133 IonicContact OE2-NH1 3.92Å; E130-T134 WeakPolarHBondContact O-CB 3.33Å; E130-T134 PolarHBondContact O-N 3.49Å; E130-T134 PolarHBondContact O-OG1 3.27Å; E130-T134 VanDerWaalsContact O-OG1 3.1Å; E130-T134 PolarHBondContact OE1-OG1 2.82Å
131R97.6Very high90Very high197 Ų197110.8 Ų110.874%0.74353%0.527SS*.Hα-helixtrans-61.7-46.3174.3-175.1-178.5-68.3-125.20.4111.6N127 R128 K129 T134 Q135N127-R131 PolarHBondContact O-N 3.04Å; N127-R131 VanDerWaalsContact O-N 3.08Å; R128-R131 PolarHBondContact O-N 3.44Å; K129-R131 VanDerWaalsContact C-N 3.3Å; K129-R131 PolarHBondContact O-N 2.99Å; R131-T134 PolarHBondContact O-N 3.05Å; R131-Q135 WeakPolarHBondContact O-CB 3.36Å; R131-Q135 PolarHBondContact O-N 3.39Å
132R97.3Very high91.7Very high161 Ų161103 Ų10361%0.60850%0.501SS*.Hα-helixtrans-61.7-44.9177.2-68.9-177-158.8-95.210.1111.4R128 K129 T134 Q135 S136R128-R132 WeakPolarHBondContact O-CG 3.32Å; R128-R132 PolarHBondContact O-N 3.33Å; R128-R132 VanDerWaalsContact O-N 3.1Å; K129-R132 PolarHBondContact O-N 3.29Å; R132-T134 PolarHBondContact O-N 3.16Å; R132-Q135 PolarHBondContact O-N 3.34Å; R132-S136 PolarHBondContact O-N 3.11Å
133R98.1Very high93.5Very high104 Ų10497.4 Ų97.439%0.39249%0.485SS..Hα-helixtrans-54.1-52173.8170.6-174.6-175.7-88.7-8.4111.3W44 K129 E130 Q135 S136 I137W44-R133 HydrophobicContact CH2-CB 4.42Å; W44-R133 VanDerWaalsContact CH2-CD 3.46Å; W44-R133 HydrophobicContact CH2-CG 3.57Å; W44-R133 VanDerWaalsContact CH2-NE 3.28Å; W44-R133 HydrophobicContact CZ2-CG 3.88Å; K129-R133 PolarHBondContact O-N 2.97Å; E130-R133 WeakPolarHBondContact O-CB 3.39Å; E130-R133 PolarHBondContact O-N 2.88Å; E130-R133 IonicContact OE1-CZ 3.57Å; E130-R133 IonicContact OE1-NH1 3.98Å; E130-R133 PolarHBondContact OE1-NH1 2.94Å; E130-R133 VanDerWaalsContact OE2-CD 3.31Å; E130-R133 WeakPolarHBondContact OE2-CD 3.37Å; E130-R133 IonicContact OE2-NH1 3.92Å; R133-Q135 VanDerWaalsContact C-N 3.31Å; R133-Q135 PolarHBondContact O-N 2.92Å; R133-S136 PolarHBondContact O-N 3.41Å; R133-I137 HydrophobicContact CG-CD1 4.09Å; R133-I137 WeakPolarHBondContact O-CG1 3.4Å; R133-I137 PolarHBondContact O-N 3.19Å
134T98.2Very high94.9Very high54 Ų5493.3 Ų93.333%0.33147%0.473SS..Hα-helixtrans-63.6-38.5-179.6-64.80000111.7E130 R131 R132 I137 N138E130-T134 WeakPolarHBondContact O-CB 3.33Å; E130-T134 PolarHBondContact O-N 3.49Å; E130-T134 PolarHBondContact O-OG1 3.27Å; E130-T134 VanDerWaalsContact O-OG1 3.1Å; E130-T134 PolarHBondContact OE1-OG1 2.82Å; R131-T134 PolarHBondContact O-N 3.05Å; R132-T134 PolarHBondContact O-N 3.16Å; T134-I137 PolarHBondContact O-N 3.05Å; T134-N138 WeakPolarHBondContact O-CB 3.5Å; T134-N138 PolarHBondContact O-N 2.82Å; T134-N138 PolarHBondContact O-ND2 3.43Å
135Q98.1Very high95.6Very high126 Ų12692.3 Ų92.359%0.58946%0.458SS*.Hα-helixtrans-62.1-47.6175.5-175.2172.39.200111.4R131 R132 R133 I137 N138 S139R131-Q135 WeakPolarHBondContact O-CB 3.36Å; R131-Q135 PolarHBondContact O-N 3.39Å; R132-Q135 PolarHBondContact O-N 3.34Å; R133-Q135 VanDerWaalsContact C-N 3.31Å; R133-Q135 PolarHBondContact O-N 2.92Å; Q135-I137 VanDerWaalsContact C-N 3.33Å; Q135-I137 PolarHBondContact O-N 3Å; Q135-N138 PolarHBondContact O-N 3.21Å; Q135-N138 VanDerWaalsContact O-N 3.09Å; Q135-S139 PolarHBondContact O-N 3.05Å; Q135-S139 PolarHBondContact O-OG 3.43Å
136S98.3Very high96.2Very high71 Ų7195 Ų9550%0.49746%0.463SS..Hα-helixtrans-56.8-45.1175.5167.90000112R132 R133 N138 S139 A140R132-S136 PolarHBondContact O-N 3.11Å; R133-S136 PolarHBondContact O-N 3.41Å; S136-N138 VanDerWaalsContact C-N 3.32Å; S136-N138 PolarHBondContact O-N 2.9Å; S136-S139 PolarHBondContact O-N 3.3Å; S136-A140 PolarHBondContact O-N 3.48Å
137I98.1Very high96.6Very high54 Ų5496.3 Ų96.328%0.27747%0.468SS..Hα-helixtrans-60.7-42.8175.5-66.8166.3000111.1R133 T134 Q135 A140 F141R133-I137 HydrophobicContact CG-CD1 4.09Å; R133-I137 WeakPolarHBondContact O-CG1 3.4Å; R133-I137 PolarHBondContact O-N 3.19Å; T134-I137 PolarHBondContact O-N 3.05Å; Q135-I137 VanDerWaalsContact C-N 3.33Å; Q135-I137 PolarHBondContact O-N 3Å; I137-A140 PolarHBondContact O-N 3.16Å; I137-F141 HydrophobicContact CG2-CD2 3.9Å; I137-F141 HydrophobicContact CG2-CE2 4.12Å; I137-F141 WeakPolarHBondContact O-CD2 3.29Å; I137-F141 PolarHBondContact O-N 3.43Å
138N97.6Very high96.6Very high72 Ų7291.7 Ų91.739%0.38544%0.443SS..Hα-helixtrans-69.1-34.5-179-69.3-27.8000112.4T134 Q135 S136 F141 A142 K159T134-N138 WeakPolarHBondContact O-CB 3.5Å; T134-N138 PolarHBondContact O-N 2.82Å; T134-N138 PolarHBondContact O-ND2 3.43Å; Q135-N138 PolarHBondContact O-N 3.21Å; Q135-N138 VanDerWaalsContact O-N 3.09Å; S136-N138 VanDerWaalsContact C-N 3.32Å; S136-N138 PolarHBondContact O-N 2.9Å; N138-F141 WeakPolarHBondContact O-CB 3.2Å; N138-F141 PolarHBondContact O-N 3.48Å; N138-A142 PolarHBondContact O-N 3.4Å; N138-K159 PolarHBondContact OD1-NZ 2.98Å
139S97.4Very high96.6Very high59 Ų5985.6 Ų85.641%0.41343%0.425SS..Hα-helixtrans-63.1-50172.1-66.10000111.4Q135 S136 F141 A142 E143Q135-S139 PolarHBondContact O-N 3.05Å; Q135-S139 PolarHBondContact O-OG 3.43Å; S136-S139 PolarHBondContact O-N 3.3Å; S139-F141 PolarHBondContact O-N 3.46Å; S139-A142 WeakPolarHBondContact O-CA 3.34Å; S139-A142 VanDerWaalsContact O-CB 3.29Å; S139-A142 WeakPolarHBondContact O-CB 3.47Å; S139-A142 PolarHBondContact O-N 3.47Å; S139-E143 PolarHBondContact O-N 3.3Å
140A97.9Very high96.3Very high51 Ų5184 Ų8442%0.42142%0.424SS..Hα-helixtrans-59.4-35.9175.200000112.4S136 I137 A142 L144S136-A140 PolarHBondContact O-N 3.48Å; I137-A140 PolarHBondContact O-N 3.16Å; A140-A142 VanDerWaalsContact C-N 3.3Å; A140-A142 PolarHBondContact O-N 3.02Å; A140-L144 WeakPolarHBondContact O-CB 3.31Å; A140-L144 PolarHBondContact O-N 3.4Å
141F97.7Very high95.9Very high35 Ų3581 Ų8115%0.15441%0.411CS..Hα-helixtrans-65.6-31172.1-102.1-78.2000113I137 N138 S139 R145 K159 T162 L163I137-F141 HydrophobicContact CG2-CD2 3.9Å; I137-F141 HydrophobicContact CG2-CE2 4.12Å; I137-F141 WeakPolarHBondContact O-CD2 3.29Å; I137-F141 PolarHBondContact O-N 3.43Å; N138-F141 WeakPolarHBondContact O-CB 3.2Å; N138-F141 PolarHBondContact O-N 3.48Å; S139-F141 PolarHBondContact O-N 3.46Å; F141-R145 WeakPolarHBondContact O-CG 3.44Å; F141-R145 PolarHBondContact O-N 2.87Å; F141-R145 PolarHBondContact O-NH1 2.85Å; F141-K159 HydrophobicContact CD1-CB 4.44Å; F141-K159 HydrophobicContact CD1-CG 4.19Å; F141-K159 HydrophobicContact CE1-CB 3.74Å; F141-K159 HydrophobicContact CE1-CG 3.91Å; F141-K159 HydrophobicContact CE2-CD 4.14Å; F141-K159 HydrophobicContact CE2-CG 4.35Å; F141-K159 HydrophobicContact CZ-CB 3.87Å; F141-K159 HydrophobicContact CZ-CD 4.15Å; F141-K159 HydrophobicContact CZ-CG 3.99Å; F141-T162 HydrophobicContact CD1-CG2 4.14Å; F141-T162 HydrophobicContact CE1-CG2 4.44Å; F141-L163 HydrophobicContact CE1-CD2 4.19Å; F141-L163 HydrophobicContact CE1-CG 4.07Å; F141-L163 HydrophobicContact CZ-CD1 4.26Å; F141-L163 HydrophobicContact CZ-CD2 4.18Å; F141-L163 HydrophobicContact CZ-CG 4.18Å
142A95Very high95.3Very high42 Ų4274.9 Ų74.935%0.34740%0.397SS..Hα-helixtrans-70.6-48.3176.400000110.4N138 S139 A140 L144 R145 E146N138-A142 PolarHBondContact O-N 3.4Å; S139-A142 WeakPolarHBondContact O-CA 3.34Å; S139-A142 VanDerWaalsContact O-CB 3.29Å; S139-A142 WeakPolarHBondContact O-CB 3.47Å; S139-A142 PolarHBondContact O-N 3.47Å; A140-A142 VanDerWaalsContact C-N 3.3Å; A140-A142 PolarHBondContact O-N 3.02Å; A142-L144 VanDerWaalsContact C-N 3.29Å; A142-L144 PolarHBondContact O-N 2.96Å; A142-R145 WeakPolarHBondContact O-CA 3.41Å; A142-R145 WeakPolarHBondContact O-CB 3.42Å; A142-R145 PolarHBondContact O-N 3.34Å; A142-E146 PolarHBondContact O-N 2.99Å
143E95.9Very high94.5Very high119 Ų11972.7 Ų72.756%0.55641%0.413SS*.Hα-helixtrans-55.4-44.9173.7-67.2164.4-15300111.2S139 R145 E146 C147S139-E143 PolarHBondContact O-N 3.3Å; E143-R145 PolarHBondContact O-N 3.46Å; E143-E146 WeakPolarHBondContact O-CB 3.4Å; E143-E146 PolarHBondContact O-N 3.05Å; E143-C147 PolarHBondContact O-N 2.84Å; E143-C147 PolarHBondContact O-SG 3.25Å
144L97.1Very high93.7Very high56 Ų5674.1 Ų74.129%0.29343%0.429SS..Hα-helixtrans-60.1-29.8175.8-177.259.9000113.2A140 A142 I148 T162 L163 A166A140-L144 WeakPolarHBondContact O-CB 3.31Å; A140-L144 PolarHBondContact O-N 3.4Å; A142-L144 VanDerWaalsContact C-N 3.29Å; A142-L144 PolarHBondContact O-N 2.96Å; L144-I148 WeakPolarHBondContact O-CG1 3.37Å; L144-T162 HydrophobicContact CB-CG2 4.28Å; L144-T162 HydrophobicContact CD2-CG2 3.74Å; L144-T162 HydrophobicContact CG-CG2 3.77Å; L144-L163 HydrophobicContact CD2-CD2 4.29Å; L144-A166 HydrophobicContact CD1-CB 3.87Å; L144-A166 HydrophobicContact CD2-CB 4.4Å; L144-A166 HydrophobicContact CG-CB 4.31Å
145R95.8Very high93.3Very high68 Ų6873.7 Ų73.726%0.25743%0.426SS..Hα-helixtrans-72.5-34.9176.4-71.1175.6-169.294.2-4.4111.9F141 A142 E143 C147 I148 L157 T162F141-R145 WeakPolarHBondContact O-CG 3.44Å; F141-R145 PolarHBondContact O-N 2.87Å; F141-R145 PolarHBondContact O-NH1 2.85Å; A142-R145 WeakPolarHBondContact O-CA 3.41Å; A142-R145 WeakPolarHBondContact O-CB 3.42Å; A142-R145 PolarHBondContact O-N 3.34Å; E143-R145 PolarHBondContact O-N 3.46Å; R145-C147 PolarHBondContact O-N 3.33Å; R145-I148 PolarHBondContact O-N 3.4Å; R145-I148 VanDerWaalsContact O-N 3.11Å; R145-L157 HydrophobicContact CG-CB 4.33Å; R145-L157 HydrophobicContact CG-CD1 4.28Å; R145-L157 PolarHBondContact NE-O 3.14Å; R145-L157 VanDerWaalsContact NE-O 3.1Å; R145-L157 PolarHBondContact NH2-O 2.86Å; R145-L157 VanDerWaalsContact NH2-O 3.08Å; R145-T162 HydrophobicContact CG-CG2 3.84Å; R145-T162 PolarHBondContact NE-OG1 3.37Å
146E94.6Very high92.8Very high164 Ų16477.4 Ų77.477%0.76644%0.44SS*.Hα-helixtrans-65.5-28.8178.3-63.9175.1-175.100111.5A142 E143 I148A142-E146 PolarHBondContact O-N 2.99Å; E143-E146 WeakPolarHBondContact O-CB 3.4Å; E143-E146 PolarHBondContact O-N 3.05Å; E146-I148 VanDerWaalsContact C-N 3.29Å; E146-I148 PolarHBondContact O-N 3.18Å
147C95.1Very high92.5Very high83 Ų8374.4 Ų74.456%0.56142%0.419SS*.THydrogen-bonded Turntrans-75.2-10.6174.3-55.30000114.4E143 R145 P149 Y169E143-C147 PolarHBondContact O-N 2.84Å; E143-C147 PolarHBondContact O-SG 3.25Å; R145-C147 PolarHBondContact O-N 3.33Å; C147-P149 WeakPolarHBondContact O-CD 3.5Å; C147-Y169 WeakPolarHBondContact O-CE1 3.44Å
148I95.1Very high92.3Very high7 Ų774.8 Ų74.84%0.03643%0.426CS..SBendtrans-88.4115.3-178.4-60.7168.2000109.1L144 R145 E146 V151 L157 T162 L165 F189L144-I148 WeakPolarHBondContact O-CG1 3.37Å; R145-I148 PolarHBondContact O-N 3.4Å; R145-I148 VanDerWaalsContact O-N 3.11Å; E146-I148 VanDerWaalsContact C-N 3.29Å; E146-I148 PolarHBondContact O-N 3.18Å; I148-V151 HydrophobicContact CB-CG2 4.33Å; I148-V151 HydrophobicContact CG2-CG2 3.58Å; I148-L157 HydrophobicContact CD1-CD1 3.83Å; I148-T162 HydrophobicContact CD1-CG2 3.93Å; I148-L165 HydrophobicContact CD1-CB 3.88Å; I148-L165 HydrophobicContact CG1-CB 4.46Å; I148-L165 HydrophobicContact CG2-CB 4.03Å; I148-L165 HydrophobicContact CG2-CD1 4.3Å; I148-F189 HydrophobicContact CG2-CE1 4.47Å
149P93.2Very high92.2Very high37 Ų3776.1 Ų76.124%0.2443%0.429CS..THydrogen-bonded Turntrans-72.7159.1-178.730-35000112C147 V151 Y169 F189C147-P149 WeakPolarHBondContact O-CD 3.5Å; P149-V151 PolarHBondContact O-N 2.92Å; P149-V151 VanDerWaalsContact O-N 3.17Å; P149-Y169 HydrophobicContact CG-CD2 3.8Å; P149-Y169 HydrophobicContact CG-CE1 4.34Å; P149-Y169 HydrophobicContact CG-CE2 3.59Å; P149-Y169 HydrophobicContact CG-CG 4.31Å; P149-F189 HydrophobicContact CG-CD1 3.57Å; P149-F189 HydrophobicContact CG-CE1 3.9Å; P149-F189 HydrophobicContact CG-CG 4.37Å
150N88.6Confident92.2Very high114 Ų11478.4 Ų78.461%0.6144%0.435SS*.THydrogen-bonded Turntrans61.322.7174.3-56.2-10.4000114.1F189N150-F189 PolarHBondContact ND2-O 3.31Å
151V87.7Confident92Very high26 Ų2679 Ų7916%0.15843%0.428CS..  trans-110.9119.7169.9178.90000107.5I148 P149 T155 L157 A191 L193I148-V151 HydrophobicContact CB-CG2 4.33Å; I148-V151 HydrophobicContact CG2-CG2 3.58Å; P149-V151 PolarHBondContact O-N 2.92Å; P149-V151 VanDerWaalsContact O-N 3.17Å; V151-T155 HydrophobicContact CG1-CG2 4.03Å; V151-L157 HydrophobicContact CG1-CD1 3.99Å; V151-L157 HydrophobicContact CG1-CG 4.19Å; V151-L157 HydrophobicContact CG2-CD1 4.31Å; V151-A191 HydrophobicContact CG2-CB 3.58Å; V151-L193 HydrophobicContact CB-CD1 4.45Å; V151-L193 HydrophobicContact CG1-CD1 4.24Å; V151-L193 HydrophobicContact CG2-CD1 4.07Å
152P85.6Confident92Very high70 Ų7077.4 Ų77.446%0.45542%0.421SS..  trans-56.6140.8174.4-24.633.8000111.4D154 T155P152-D154 WeakPolarHBondContact CB-OD1 2.84Å; P152-D154 PolarHBondContact O-N 3.17Å; P152-D154 VanDerWaalsContact O-N 3.11Å; P152-T155 WeakPolarHBondContact CD-OG1 3.41Å; P152-T155 WeakPolarHBondContact O-CB 3.39Å; P152-T155 PolarHBondContact O-N 3.04Å; P152-T155 PolarHBondContact O-OG1 3.25Å
153A78.6Confident92.1Very high114 Ų11479.6 Ų79.694%0.94243%0.427SS*.THydrogen-bonded Turntrans-61.2-24.3-174.200000113.9
154D82.6Confident92.1Very high134 Ų13482.4 Ų82.472%0.71743%0.432SS*.THydrogen-bonded Turntrans-83.5-9.4175.964.3-33.2000113.5P152 K156P152-D154 WeakPolarHBondContact CB-OD1 2.84Å; P152-D154 PolarHBondContact O-N 3.17Å; P152-D154 VanDerWaalsContact O-N 3.11Å; D154-K156 PolarHBondContact O-N 3.06Å
155T88.4Confident92.1Very high45 Ų4580.8 Ų80.828%0.27642%0.424SS..  trans-74.6113.8-177.8-640000111.7V151 P152 L157 L193V151-T155 HydrophobicContact CG1-CG2 4.03Å; P152-T155 WeakPolarHBondContact CD-OG1 3.41Å; P152-T155 WeakPolarHBondContact O-CB 3.39Å; P152-T155 PolarHBondContact O-N 3.04Å; P152-T155 PolarHBondContact O-OG1 3.25Å; T155-L157 PolarHBondContact O-N 3.32Å; T155-L193 HydrophobicContact CG2-CD1 4.26Å; T155-L193 HydrophobicContact CG2-CD2 3.62Å
156K88.8Confident92.1Very high205 Ų20578.2 Ų78.289%0.89142%0.417SS*.  trans-77.394.9176.5-67-176.4-179.7174.90111.8D154D154-K156 PolarHBondContact O-N 3.06Å
157L91.3Very high92.3Very high7 Ų774.6 Ų74.64%0.03741%0.406CS..  trans-75.5130.9169.3-68.4176.4000112.1R145 I148 V151 T155 K161 T162 L165 L193R145-L157 HydrophobicContact CG-CB 4.33Å; R145-L157 HydrophobicContact CG-CD1 4.28Å; R145-L157 PolarHBondContact NE-O 3.14Å; R145-L157 VanDerWaalsContact NE-O 3.1Å; R145-L157 PolarHBondContact NH2-O 2.86Å; R145-L157 VanDerWaalsContact NH2-O 3.08Å; I148-L157 HydrophobicContact CD1-CD1 3.83Å; V151-L157 HydrophobicContact CG1-CD1 3.99Å; V151-L157 HydrophobicContact CG1-CG 4.19Å; V151-L157 HydrophobicContact CG2-CD1 4.31Å; T155-L157 PolarHBondContact O-N 3.32Å; L157-K161 HydrophobicContact CD2-CB 4.19Å; L157-T162 VanDerWaalsContact CB-OG1 3.3Å; L157-T162 WeakPolarHBondContact CB-OG1 3.3Å; L157-L165 HydrophobicContact CD1-CD1 3.91Å; L157-L165 HydrophobicContact CD2-CD1 3.84Å; L157-L193 HydrophobicContact CD2-CD2 3.4Å; L157-L193 HydrophobicContact CD2-CG 4.49Å
158S95.3Very high92.3Very high63 Ų6373.9 Ų73.944%0.44140%0.402SS..  trans-67.6155.4169.475.30000111I160 K161 T162S158-I160 VanDerWaalsContact C-N 3.27Å; S158-I160 PolarHBondContact O-N 2.82Å; S158-K161 PolarHBondContact O-N 3.17Å; S158-K161 PolarHBondContact OG-N 2.98Å; S158-T162 PolarHBondContact O-N 2.99Å; S158-T162 PolarHBondContact O-OG1 2.94Å
159K95.5Very high92.4Very high99 Ų9976.5 Ų76.543%0.4341%0.412SS..Hα-helixtrans-51.9-44.9-179.8-65.6-172.9177.1-171.60112.4N138 F141 T162 L163N138-K159 PolarHBondContact OD1-NZ 2.98Å; F141-K159 HydrophobicContact CD1-CB 4.44Å; F141-K159 HydrophobicContact CD1-CG 4.19Å; F141-K159 HydrophobicContact CE1-CB 3.74Å; F141-K159 HydrophobicContact CE1-CG 3.91Å; F141-K159 HydrophobicContact CE2-CD 4.14Å; F141-K159 HydrophobicContact CE2-CG 4.35Å; F141-K159 HydrophobicContact CZ-CB 3.87Å; F141-K159 HydrophobicContact CZ-CD 4.15Å; F141-K159 HydrophobicContact CZ-CG 3.99Å; K159-T162 PolarHBondContact O-N 3.4Å; K159-L163 VanDerWaalsContact O-CG 3.29Å; K159-L163 WeakPolarHBondContact O-CG 3.35Å; K159-L163 PolarHBondContact O-N 3.17Å
160I96.5Very high92.6Very high108 Ų10879.6 Ų79.655%0.55443%0.425SS*.Hα-helixtrans-64.4-43.9177.6-66172.7000111.4S158 L163 R164S158-I160 VanDerWaalsContact C-N 3.27Å; S158-I160 PolarHBondContact O-N 2.82Å; I160-L163 PolarHBondContact O-N 3.12Å; I160-R164 HydrophobicContact CG2-CG 4.46Å; I160-R164 WeakPolarHBondContact O-CG 3.36Å; I160-R164 PolarHBondContact O-N 2.97Å
161K94.8Very high92.9Very high64 Ų6477.1 Ų77.128%0.27842%0.417SS..Hα-helixtrans-64.3-43.9178.7-78.9-173.5169.7179.50111.2L157 S158 L163 R164 L165 K194L157-K161 HydrophobicContact CD2-CB 4.19Å; S158-K161 PolarHBondContact O-N 3.17Å; S158-K161 PolarHBondContact OG-N 2.98Å; K161-L163 PolarHBondContact O-N 3.41Å; K161-R164 PolarHBondContact O-N 3.23Å; K161-L165 WeakPolarHBondContact O-CB 3.49Å; K161-L165 WeakPolarHBondContact O-CG 3.48Å; K161-L165 PolarHBondContact O-N 3.33Å; K161-K194 PolarHBondContact NZ-O 3.41Å; K161-K194 VanDerWaalsContact NZ-O 3.14Å
162T96.1Very high93.2Very high0 Ų078.6 Ų78.60%042%0.42CS..Hα-helixtrans-56.2-50175.4-58.20000111.2F141 L144 R145 I148 L157 S158 K159 R164 L165 A166F141-T162 HydrophobicContact CD1-CG2 4.14Å; F141-T162 HydrophobicContact CE1-CG2 4.44Å; L144-T162 HydrophobicContact CB-CG2 4.28Å; L144-T162 HydrophobicContact CD2-CG2 3.74Å; L144-T162 HydrophobicContact CG-CG2 3.77Å; R145-T162 HydrophobicContact CG-CG2 3.84Å; R145-T162 PolarHBondContact NE-OG1 3.37Å; I148-T162 HydrophobicContact CD1-CG2 3.93Å; L157-T162 VanDerWaalsContact CB-OG1 3.3Å; L157-T162 WeakPolarHBondContact CB-OG1 3.3Å; S158-T162 PolarHBondContact O-N 2.99Å; S158-T162 PolarHBondContact O-OG1 2.94Å; K159-T162 PolarHBondContact O-N 3.4Å; T162-R164 PolarHBondContact O-N 3.45Å; T162-L165 PolarHBondContact O-N 3.1Å; T162-A166 VanDerWaalsContact O-CB 3.31Å; T162-A166 WeakPolarHBondContact O-CB 3.29Å; T162-A166 PolarHBondContact O-N 2.89Å
163L97.8Very high93.5Very high88 Ų8878 Ų7846%0.46141%0.413SS..Hα-helixtrans-62.1-42.7-179.9-68174.1000112.5F141 L144 K159 I160 K161 T167F141-L163 HydrophobicContact CE1-CD2 4.19Å; F141-L163 HydrophobicContact CE1-CG 4.07Å; F141-L163 HydrophobicContact CZ-CD1 4.26Å; F141-L163 HydrophobicContact CZ-CD2 4.18Å; F141-L163 HydrophobicContact CZ-CG 4.18Å; L144-L163 HydrophobicContact CD2-CD2 4.29Å; K159-L163 VanDerWaalsContact O-CG 3.29Å; K159-L163 WeakPolarHBondContact O-CG 3.35Å; K159-L163 PolarHBondContact O-N 3.17Å; I160-L163 PolarHBondContact O-N 3.12Å; K161-L163 PolarHBondContact O-N 3.41Å; L163-T167 WeakPolarHBondContact O-CB 3.31Å; L163-T167 PolarHBondContact O-N 3.05Å; L163-T167 PolarHBondContact O-OG1 3.06Å
164R96Very high94.3Very high178 Ų17877.1 Ų77.167%0.67239%0.39SS*.Hα-helixtrans-63.1-49.2177.9-73.4177.2178-176.9-1.7111.8I160 K161 T162 T167 S168I160-R164 HydrophobicContact CG2-CG 4.46Å; I160-R164 WeakPolarHBondContact O-CG 3.36Å; I160-R164 PolarHBondContact O-N 2.97Å; K161-R164 PolarHBondContact O-N 3.23Å; T162-R164 PolarHBondContact O-N 3.45Å; R164-T167 PolarHBondContact O-N 3.22Å; R164-S168 PolarHBondContact O-N 3.1Å; R164-S168 PolarHBondContact O-OG 3.23Å
165L96.2Very high94.6Very high23 Ų2374.5 Ų74.512%0.1238%0.376CS..Hα-helixtrans-64.1-41.8-179.7-72.1174000112I148 L157 K161 T162 T167 S168 Y169 A191I148-L165 HydrophobicContact CD1-CB 3.88Å; I148-L165 HydrophobicContact CG1-CB 4.46Å; I148-L165 HydrophobicContact CG2-CB 4.03Å; I148-L165 HydrophobicContact CG2-CD1 4.3Å; L157-L165 HydrophobicContact CD1-CD1 3.91Å; L157-L165 HydrophobicContact CD2-CD1 3.84Å; K161-L165 WeakPolarHBondContact O-CB 3.49Å; K161-L165 WeakPolarHBondContact O-CG 3.48Å; K161-L165 PolarHBondContact O-N 3.33Å; T162-L165 PolarHBondContact O-N 3.1Å; L165-T167 VanDerWaalsContact C-N 3.35Å; L165-T167 PolarHBondContact O-N 3.08Å; L165-S168 PolarHBondContact O-N 2.92Å; L165-Y169 WeakPolarHBondContact O-CB 3.34Å; L165-Y169 PolarHBondContact O-N 2.88Å; L165-A191 HydrophobicContact CD1-CB 4.4Å; L165-A191 HydrophobicContact CD2-CB 4.06Å
166A97.4Very high94.7Very high14 Ų1474 Ų7412%0.11637%0.371CS..Hα-helixtrans-61.2-43.5175.400000111.8L144 T162 Y169 I170L144-A166 HydrophobicContact CD1-CB 3.87Å; L144-A166 HydrophobicContact CD2-CB 4.4Å; L144-A166 HydrophobicContact CG-CB 4.31Å; T162-A166 VanDerWaalsContact O-CB 3.31Å; T162-A166 WeakPolarHBondContact O-CB 3.29Å; T162-A166 PolarHBondContact O-N 2.89Å; A166-Y169 PolarHBondContact O-N 3.31Å; A166-I170 WeakPolarHBondContact O-CG1 3.44Å; A166-I170 PolarHBondContact O-N 3.43Å
167T97.3Very high94.8Very high88 Ų8869.5 Ų69.554%0.5436%0.357SS..Hα-helixtrans-60.9-48.1176.3-53.40000111L163 R164 L165 Y169 I170 S171L163-T167 WeakPolarHBondContact O-CB 3.31Å; L163-T167 PolarHBondContact O-N 3.05Å; L163-T167 PolarHBondContact O-OG1 3.06Å; R164-T167 PolarHBondContact O-N 3.22Å; L165-T167 VanDerWaalsContact C-N 3.35Å; L165-T167 PolarHBondContact O-N 3.08Å; T167-Y169 VanDerWaalsContact C-N 3.26Å; T167-Y169 PolarHBondContact O-N 2.9Å; T167-I170 PolarHBondContact O-N 3.1Å; T167-S171 PolarHBondContact O-N 3.09Å; T167-S171 PolarHBondContact O-OG 3.4Å
168S95.9Very high94.7Very high67 Ų6775.7 Ų75.747%0.46939%0.39SS..Hα-helixtrans-61.1-35.8176.7-61.60000112.6R164 L165 Y172R164-S168 PolarHBondContact O-N 3.1Å; R164-S168 PolarHBondContact O-OG 3.23Å; L165-S168 PolarHBondContact O-N 2.92Å; S168-Y172 WeakPolarHBondContact O-CB 3.49Å; S168-Y172 PolarHBondContact O-N 3.32Å
169Y96.8Very high94Very high63 Ų6377.6 Ų77.625%0.24739%0.39CS..Hα-helixtrans-69.9-41.4178.5-176.2-132.3000111.7C147 P149 L165 A166 T167 S171 Y172 L173 F189C147-Y169 WeakPolarHBondContact O-CE1 3.44Å; P149-Y169 HydrophobicContact CG-CD2 3.8Å; P149-Y169 HydrophobicContact CG-CE1 4.34Å; P149-Y169 HydrophobicContact CG-CE2 3.59Å; P149-Y169 HydrophobicContact CG-CG 4.31Å; L165-Y169 WeakPolarHBondContact O-CB 3.34Å; L165-Y169 PolarHBondContact O-N 2.88Å; A166-Y169 PolarHBondContact O-N 3.31Å; T167-Y169 VanDerWaalsContact C-N 3.26Å; T167-Y169 PolarHBondContact O-N 2.9Å; Y169-S171 PolarHBondContact O-N 3.27Å; Y169-Y172 AromaticContact CD2-CD1 3.99Å; Y169-Y172 HydrophobicContact CD2-CD1 3.99Å; Y169-Y172 HydrophobicContact CE2-CD1 4.01Å; Y169-Y172 HydrophobicContact CE2-CE1 4.39Å; Y169-Y172 WeakPolarHBondContact O-CB 3.48Å; Y169-Y172 PolarHBondContact O-N 3.11Å; Y169-L173 HydrophobicContact CD1-CD1 4.23Å; Y169-L173 HydrophobicContact CD2-CG 4.23Å; Y169-L173 HydrophobicContact CE1-CD1 3.8Å; Y169-L173 HydrophobicContact CE1-CG 4.46Å; Y169-L173 HydrophobicContact CE2-CD1 4.08Å; Y169-L173 HydrophobicContact CE2-CD2 3.81Å; Y169-L173 HydrophobicContact CE2-CG 3.84Å; Y169-L173 WeakPolarHBondContact O-CG 3.4Å; Y169-L173 PolarHBondContact O-N 3.43Å; Y169-F189 HydrophobicContact CD2-CD1 4.29Å; Y169-F189 HydrophobicContact CD2-CD2 4.03Å; Y169-F189 HydrophobicContact CD2-CE1 4.49Å; Y169-F189 HydrophobicContact CD2-CE2 4.29Å; Y169-F189 HydrophobicContact CD2-CG 4.02Å; Y169-F189 HydrophobicContact CD2-CZ 4.49Å
170I96.6Very high92.6Very high102 Ų10277.2 Ų77.252%0.52339%0.393SS..Hα-helixtrans-57.8-50.9172.7-66.8164.8000110A166 T167 Y172 L173 M174A166-I170 WeakPolarHBondContact O-CG1 3.44Å; A166-I170 PolarHBondContact O-N 3.43Å; T167-I170 PolarHBondContact O-N 3.1Å; I170-Y172 VanDerWaalsContact C-N 3.3Å; I170-Y172 PolarHBondContact O-N 3.01Å; I170-L173 PolarHBondContact O-N 3.46Å; I170-L173 VanDerWaalsContact O-N 3.13Å; I170-M174 HydrophobicContact CG2-CG 4.36Å; I170-M174 WeakPolarHBondContact O-CG 3.4Å; I170-M174 PolarHBondContact O-N 3.4Å
171S94.8Very high90.9Very high62 Ų6275.7 Ų75.743%0.43440%0.404SS..Hα-helixtrans-57.5-42.8178-60.40000112.5T167 Y169 L173 M174 D175T167-S171 PolarHBondContact O-N 3.09Å; T167-S171 PolarHBondContact O-OG 3.4Å; Y169-S171 PolarHBondContact O-N 3.27Å; S171-L173 PolarHBondContact O-N 3.39Å; S171-M174 PolarHBondContact O-N 3.11Å; S171-D175 PolarHBondContact O-N 3.34Å
172Y94Very high89.2Confident56 Ų5681.1 Ų81.122%0.2243%0.431CS..Hα-helixtrans-59.9-43.7175.7167.6-101.9000112.7S168 Y169 I170 D175 I176 Q187 F189S168-Y172 WeakPolarHBondContact O-CB 3.49Å; S168-Y172 PolarHBondContact O-N 3.32Å; Y169-Y172 AromaticContact CD2-CD1 3.99Å; Y169-Y172 HydrophobicContact CD2-CD1 3.99Å; Y169-Y172 HydrophobicContact CE2-CD1 4.01Å; Y169-Y172 HydrophobicContact CE2-CE1 4.39Å; Y169-Y172 WeakPolarHBondContact O-CB 3.48Å; Y169-Y172 PolarHBondContact O-N 3.11Å; I170-Y172 VanDerWaalsContact C-N 3.3Å; I170-Y172 PolarHBondContact O-N 3.01Å; Y172-D175 PolarHBondContact O-N 3.33Å; Y172-I176 HydrophobicContact CD1-CD1 3.77Å; Y172-I176 HydrophobicContact CD2-CD1 4.34Å; Y172-I176 HydrophobicContact CE1-CD1 3.2Å; Y172-I176 HydrophobicContact CE1-CG1 4.34Å; Y172-I176 HydrophobicContact CE2-CD1 3.83Å; Y172-I176 HydrophobicContact CE2-CG1 4.18Å; Y172-I176 HydrophobicContact CG-CD1 4.33Å; Y172-I176 WeakPolarHBondContact O-CG1 3.33Å; Y172-I176 PolarHBondContact O-N 3.04Å; Y172-Q187 WeakPolarHBondContact CE2-O 3.5Å; Y172-F189 HydrophobicContact CD1-CB 3.72Å; Y172-F189 HydrophobicContact CD1-CD2 4.31Å; Y172-F189 HydrophobicContact CD1-CG 4.37Å; Y172-F189 HydrophobicContact CD2-CB 4.22Å; Y172-F189 HydrophobicContact CE1-CB 3.7Å; Y172-F189 HydrophobicContact CE2-CB 4.23Å; Y172-F189 HydrophobicContact CG-CB 3.96Å; Y172-F189 HydrophobicContact CG-CD2 4.09Å; Y172-F189 HydrophobicContact CG-CG 4.49Å
173L93.8Very high87.4Confident59 Ų5988.4 Ų88.431%0.30946%0.464SS..Hα-helixtrans-65.8-39177.2-67.5177.2000111.8Y169 I170 S171 I176 L177Y169-L173 HydrophobicContact CD1-CD1 4.23Å; Y169-L173 HydrophobicContact CD2-CG 4.23Å; Y169-L173 HydrophobicContact CE1-CD1 3.8Å; Y169-L173 HydrophobicContact CE1-CG 4.46Å; Y169-L173 HydrophobicContact CE2-CD1 4.08Å; Y169-L173 HydrophobicContact CE2-CD2 3.81Å; Y169-L173 HydrophobicContact CE2-CG 3.84Å; Y169-L173 WeakPolarHBondContact O-CG 3.4Å; Y169-L173 PolarHBondContact O-N 3.43Å; I170-L173 PolarHBondContact O-N 3.46Å; I170-L173 VanDerWaalsContact O-N 3.13Å; S171-L173 PolarHBondContact O-N 3.39Å; L173-I176 HydrophobicContact CD2-CD1 4.34Å; L173-I176 PolarHBondContact O-N 2.93Å; L173-L177 VanDerWaalsContact O-CG 3.32Å; L173-L177 WeakPolarHBondContact O-CG 3.46Å; L173-L177 PolarHBondContact O-N 3.25Å; L173-L177 VanDerWaalsContact O-N 3.12Å
174M93.8Very high85.4Confident94 Ų9487 Ų8746%0.46347%0.471SS..Hα-helixtrans-62.3-45.4174.5-61.4-60.994.700111I170 S171 I176 L177 D178I170-M174 HydrophobicContact CG2-CG 4.36Å; I170-M174 WeakPolarHBondContact O-CG 3.4Å; I170-M174 PolarHBondContact O-N 3.4Å; S171-M174 PolarHBondContact O-N 3.11Å; M174-I176 VanDerWaalsContact C-N 3.29Å; M174-I176 PolarHBondContact O-N 3.08Å; M174-L177 HydrophobicContact CE-CD1 3.88Å; M174-L177 PolarHBondContact O-N 2.88Å; M174-D178 PolarHBondContact O-N 3.24Å
175D90.7Very high83.8Confident79 Ų7985.8 Ų85.842%0.42248%0.478SS..Hα-helixtrans-60.6-36.1177.6-73.4-6.2000112.6S171 Y172 K179S171-D175 PolarHBondContact O-N 3.34Å; Y172-D175 PolarHBondContact O-N 3.33Å; D175-K179 VanDerWaalsContact O-CB 3.26Å; D175-K179 WeakPolarHBondContact O-CB 3.21Å; D175-K179 VanDerWaalsContact O-CD 3.29Å; D175-K179 WeakPolarHBondContact O-CD 3.1Å; D175-K179 WeakPolarHBondContact O-CG 3.48Å; D175-K179 PolarHBondContact O-N 3.37Å; D175-K179 VanDerWaalsContact O-N 3.17Å
176I90.6Very high82.3Confident34 Ų3486.9 Ų86.917%0.17449%0.486CS..Hα-helixtrans-64.8-50.9174.9-69.7161.8000110.1Y172 L173 M174 D178 K179 D180Y172-I176 HydrophobicContact CD1-CD1 3.77Å; Y172-I176 HydrophobicContact CD2-CD1 4.34Å; Y172-I176 HydrophobicContact CE1-CD1 3.2Å; Y172-I176 HydrophobicContact CE1-CG1 4.34Å; Y172-I176 HydrophobicContact CE2-CD1 3.83Å; Y172-I176 HydrophobicContact CE2-CG1 4.18Å; Y172-I176 HydrophobicContact CG-CD1 4.33Å; Y172-I176 WeakPolarHBondContact O-CG1 3.33Å; Y172-I176 PolarHBondContact O-N 3.04Å; L173-I176 HydrophobicContact CD2-CD1 4.34Å; L173-I176 PolarHBondContact O-N 2.93Å; M174-I176 VanDerWaalsContact C-N 3.29Å; M174-I176 PolarHBondContact O-N 3.08Å; I176-D178 PolarHBondContact O-N 3.4Å; I176-K179 CarbonylContact O-C 3.46Å; I176-K179 WeakPolarHBondContact O-CA 3.48Å; I176-K179 PolarHBondContact O-N 3.4Å; I176-D180 VanDerWaalsContact O-CG 3.26Å; I176-D180 PolarHBondContact O-N 3.4Å
177L90.2Very high81.2Confident111 Ų11194.2 Ų94.258%0.58152%0.518SS*.Hα-helixtrans-60.3-35.9-178-68172.1000111.9L173 M174 K179L173-L177 VanDerWaalsContact O-CG 3.32Å; L173-L177 WeakPolarHBondContact O-CG 3.46Å; L173-L177 PolarHBondContact O-N 3.25Å; L173-L177 VanDerWaalsContact O-N 3.12Å; M174-L177 HydrophobicContact CE-CD1 3.88Å; M174-L177 PolarHBondContact O-N 2.88Å; L177-K179 VanDerWaalsContact C-N 3.32Å
178D88.3Confident80.5Confident138 Ų13893.9 Ų93.974%0.73852%0.523SS*.Hα-helixtrans-71.9-26.8175.4-70.4-18.9000112.6M174 I176M174-D178 PolarHBondContact O-N 3.24Å; I176-D178 PolarHBondContact O-N 3.4Å
179K81.8Confident80.2Confident103 Ų10391.8 Ų91.845%0.44851%0.506SS..Hα-helixtrans-96.7-0.6-177.3-71.2172.3-176.41730114.3D175 I176 L177 G181 Q182 T186D175-K179 VanDerWaalsContact O-CB 3.26Å; D175-K179 WeakPolarHBondContact O-CB 3.21Å; D175-K179 VanDerWaalsContact O-CD 3.29Å; D175-K179 WeakPolarHBondContact O-CD 3.1Å; D175-K179 WeakPolarHBondContact O-CG 3.48Å; D175-K179 PolarHBondContact O-N 3.37Å; D175-K179 VanDerWaalsContact O-N 3.17Å; I176-K179 CarbonylContact O-C 3.46Å; I176-K179 WeakPolarHBondContact O-CA 3.48Å; I176-K179 PolarHBondContact O-N 3.4Å; L177-K179 VanDerWaalsContact C-N 3.32Å; K179-G181 PolarHBondContact O-N 2.99Å; K179-Q182 CarbonylContact O-C 3.46Å; K179-Q182 PolarHBondContact O-N 3.44Å; K179-T186 HydrophobicContact CB-CG2 4.36Å; K179-T186 HydrophobicContact CD-CG2 3.44Å; K179-T186 VanDerWaalsContact CD-CG2 3.44Å
180D65.5Low79.6Confident90 Ų9097.5 Ų97.548%0.48153%0.532SS..THydrogen-bonded Turntrans-647.1-179.9-77.7-28.3000114.7I176 H183I176-D180 VanDerWaalsContact O-CG 3.26Å; I176-D180 PolarHBondContact O-N 3.4Å; D180-H183 IonicContact OD1-ND1 3.65Å
181G59.9Low79.2Confident77 Ų7793.1 Ų93.179%0.79451%0.511SS*.THydrogen-bonded Turntrans-93.1-11.2161.600000116K179K179-G181 PolarHBondContact O-N 2.99Å
182Q60.4Low78.5Confident178 Ų17896.7 Ų96.783%0.83252%0.521SS*.SBendtrans-143.765.7-178.6-67.1-170.34.700110.1K179 G184K179-Q182 CarbonylContact O-C 3.46Å; K179-Q182 PolarHBondContact O-N 3.44Å; Q182-G184 PolarHBondContact O-N 2.9Å; Q182-G184 VanDerWaalsContact O-N 3.16Å
183H57.8Low77.9Confident152 Ų15296.9 Ų96.970%0.70453%0.525SS*.THydrogen-bonded Turntrans-75.9101.7-177-152.983.7000110.6D180D180-H183 IonicContact OD1-ND1 3.65Å
184G56.3Low77Confident59 Ų59100.4 Ų100.461%0.60854%0.538SS*.THydrogen-bonded Turntrans-155.7-44.5176.400000115.1Q182Q182-G184 PolarHBondContact O-N 2.9Å; Q182-G184 VanDerWaalsContact O-N 3.16Å
185D60.8Low75.3Confident153 Ų153103.7 Ų103.782%0.81855%0.55SS**  trans-12915.2-161.8-65.3-38.2000116Q187D185-Q187 PolarHBondContact O-N 3.37Å
186T65.9Low73.6Confident46 Ų46104.1 Ų104.128%0.28256%0.556SS.*  trans-69.6104.6176.646.70000110.6K179 A188K179-T186 HydrophobicContact CB-CG2 4.36Å; K179-T186 HydrophobicContact CD-CG2 3.44Å; K179-T186 VanDerWaalsContact CD-CG2 3.44Å; T186-A188 PolarHBondContact O-N 2.93Å
187Q73.9Confident71.7Confident168 Ų168108 Ų10879%0.78557%0.573SS**PPolyproline II helixtrans-49.3125.4174.6-67.7-69.5-38.200110.8Y172 D185 F189Y172-Q187 WeakPolarHBondContact CE2-O 3.5Å; D185-Q187 PolarHBondContact O-N 3.37Å; Q187-F189 PolarHBondContact O-N 3.28Å
188A83.2Confident69.9Low80 Ų80105.9 Ų105.966%0.66157%0.571SS**PPolyproline II helixtrans-57.2138.7179.300000111.7T186 K190T186-A188 PolarHBondContact O-N 2.93Å; A188-K190 PolarHBondContact O-N 3.23Å
189F88.8Confident68.3Low23 Ų23109.3 Ų109.310%0.10157%0.574CS.*PPolyproline II helixtrans-57.6126.4178.3179.6-89.2000111.7I148 P149 N150 Y169 Y172 Q187 A191I148-F189 HydrophobicContact CG2-CE1 4.47Å; P149-F189 HydrophobicContact CG-CD1 3.57Å; P149-F189 HydrophobicContact CG-CE1 3.9Å; P149-F189 HydrophobicContact CG-CG 4.37Å; N150-F189 PolarHBondContact ND2-O 3.31Å; Y169-F189 HydrophobicContact CD2-CD1 4.29Å; Y169-F189 HydrophobicContact CD2-CD2 4.03Å; Y169-F189 HydrophobicContact CD2-CE1 4.49Å; Y169-F189 HydrophobicContact CD2-CE2 4.29Å; Y169-F189 HydrophobicContact CD2-CG 4.02Å; Y169-F189 HydrophobicContact CD2-CZ 4.49Å; Y172-F189 HydrophobicContact CD1-CB 3.72Å; Y172-F189 HydrophobicContact CD1-CD2 4.31Å; Y172-F189 HydrophobicContact CD1-CG 4.37Å; Y172-F189 HydrophobicContact CD2-CB 4.22Å; Y172-F189 HydrophobicContact CE1-CB 3.7Å; Y172-F189 HydrophobicContact CE2-CB 4.23Å; Y172-F189 HydrophobicContact CG-CB 3.96Å; Y172-F189 HydrophobicContact CG-CD2 4.09Å; Y172-F189 HydrophobicContact CG-CG 4.49Å; Q187-F189 PolarHBondContact O-N 3.28Å; F189-A191 HydrophobicContact CE1-CB 4.11Å
190K84.5Confident67.1Low183 Ų183111.7 Ų111.780%0.79659%0.587SS**  trans-121.1113.2177.1-168.9175.6-177.7177.90110.3A188 E192A188-K190 PolarHBondContact O-N 3.23Å; K190-E192 PolarHBondContact O-N 3.3Å
191A87.9Confident66.5Low10 Ų10112.6 Ų112.68%0.08359%0.588CS.*  trans-67.9104173.100000110V151 L165 F189 L193V151-A191 HydrophobicContact CG2-CB 3.58Å; L165-A191 HydrophobicContact CD1-CB 4.4Å; L165-A191 HydrophobicContact CD2-CB 4.06Å; F189-A191 HydrophobicContact CE1-CB 4.11Å; A191-L193 VanDerWaalsContact C-N 3.31Å; A191-L193 PolarHBondContact O-N 3.18Å
192E81.1Confident66.4Low138 Ų138117.2 Ų117.265%0.64558%0.581SS**  trans-74.783.9179.2-159.5-173-178.600111.1K190 K194K190-E192 PolarHBondContact O-N 3.3Å; E192-K194 VanDerWaalsContact CD-CE 3.43Å; E192-K194 HydrophobicContact CG-CG 4.32Å; E192-K194 PolarHBondContact O-N 3.44Å; E192-K194 VanDerWaalsContact O-N 3.12Å; E192-K194 WeakPolarHBondContact OE1-CE 3.31Å; E192-K194 IonicContact OE1-NZ 3.54Å
193L81Confident66.4Low59 Ų59118.7 Ų118.731%0.30958%0.579SS.*  trans-80.479.2172.5-79.1151.5000110.1V151 T155 L157 A191 K195V151-L193 HydrophobicContact CB-CD1 4.45Å; V151-L193 HydrophobicContact CG1-CD1 4.24Å; V151-L193 HydrophobicContact CG2-CD1 4.07Å; T155-L193 HydrophobicContact CG2-CD1 4.26Å; T155-L193 HydrophobicContact CG2-CD2 3.62Å; L157-L193 HydrophobicContact CD2-CD2 3.4Å; L157-L193 HydrophobicContact CD2-CG 4.49Å; A191-L193 VanDerWaalsContact C-N 3.31Å; A191-L193 PolarHBondContact O-N 3.18Å; L193-K195 PolarHBondContact O-N 2.99Å
194K74.2Confident66.4Low134 Ų134119.1 Ų119.158%0.58358%0.579SS**  trans-59.7113.4168.2-66.6-173.7-177.1179.20108.5K161 E192 T196K161-K194 PolarHBondContact NZ-O 3.41Å; K161-K194 VanDerWaalsContact NZ-O 3.14Å; E192-K194 VanDerWaalsContact CD-CE 3.43Å; E192-K194 HydrophobicContact CG-CG 4.32Å; E192-K194 PolarHBondContact O-N 3.44Å; E192-K194 VanDerWaalsContact O-N 3.12Å; E192-K194 WeakPolarHBondContact OE1-CE 3.31Å; E192-K194 IonicContact OE1-NZ 3.54Å; K194-T196 PolarHBondContact O-N 3.31Å
195K58Low66.4Low163 Ų163121.6 Ų121.671%0.70957%0.573SS**  trans-67.978.9-177.7-158.1173.1-178.41800109.1L193 E197L193-K195 PolarHBondContact O-N 2.99Å; K195-E197 WeakPolarHBondContact CE-OE1 3.26Å; K195-E197 VanDerWaalsContact CE-OE2 3.26Å; K195-E197 WeakPolarHBondContact CE-OE2 2.76Å; K195-E197 HydrophobicContact CG-CB 4.45Å; K195-E197 HydrophobicContact CG-CG 3.84Å; K195-E197 IonicContact NZ-OE1 2.88Å; K195-E197 IonicContact NZ-OE2 2.96Å; K195-E197 PolarHBondContact O-N 3.29Å
196T54.8Low66.2Low88 Ų88121.3 Ų121.354%0.5457%0.567SS.*THydrogen-bonded Turntrans-80.953.217256.20000109.8K194 A198K194-T196 PolarHBondContact O-N 3.31Å; T196-A198 PolarHBondContact O-N 2.85Å
197E52Low65.9Low115 Ų115122.7 Ų122.754%0.53758%0.583SS.*Hα-helixtrans-66.9-21.9167.6-76.3-174.9-168.400110.7K195 R199 E200 E201K195-E197 WeakPolarHBondContact CE-OE1 3.26Å; K195-E197 VanDerWaalsContact CE-OE2 3.26Å; K195-E197 WeakPolarHBondContact CE-OE2 2.76Å; K195-E197 HydrophobicContact CG-CB 4.45Å; K195-E197 HydrophobicContact CG-CG 3.84Å; K195-E197 IonicContact NZ-OE1 2.88Å; K195-E197 IonicContact NZ-OE2 2.96Å; K195-E197 PolarHBondContact O-N 3.29Å; E197-R199 VanDerWaalsContact C-N 3.29Å; E197-R199 PolarHBondContact O-N 2.78Å; E197-E200 PolarHBondContact O-N 3.47Å; E197-E201 PolarHBondContact O-N 2.87Å
198A52.1Low65.2Low66 Ų66120.6 Ų120.655%0.54558%0.581SS.*Hα-helixtrans-60.6-29.2176.200000114.7T196 R202T196-A198 PolarHBondContact O-N 2.85Å; A198-R202 WeakPolarHBondContact O-CG 3.38Å; A198-R202 PolarHBondContact O-N 3.14Å
199R55.2Low63.7Low210 Ų210124.5 Ų124.579%0.79259%0.586SS**Hα-helixtrans-80.3-30.8-178.5-170.3174179.8-169.40.8112.3E197E197-R199 VanDerWaalsContact C-N 3.29Å; E197-R199 PolarHBondContact O-N 2.78Å
200E56.3Low61.9Low154 Ų154130.4 Ų130.472%0.7262%0.617SS**Hα-helixtrans-75-38.1176.2-172.9165-160.500110.9E197 R203 K204E197-E200 PolarHBondContact O-N 3.47Å; E200-R203 PolarHBondContact O-N 3.28Å; E200-K204 PolarHBondContact O-N 3.4Å
201E53.3Low60.3Low108 Ų108126.9 Ų126.951%0.50561%0.613SS.*Hα-helixtrans-63.7-41.3174.9-130.1-162.614800112.7E197 R203 K204 K205E197-E201 PolarHBondContact O-N 2.87Å; E201-R203 VanDerWaalsContact C-N 3.29Å; E201-R203 PolarHBondContact O-N 3.16Å; E201-K204 PolarHBondContact O-N 2.94Å; E201-K204 VanDerWaalsContact O-N 3.11Å; E201-K205 VanDerWaalsContact O-CG 3.22Å; E201-K205 WeakPolarHBondContact O-CG 2.85Å; E201-K205 PolarHBondContact O-N 3.11Å; E201-K205 WeakPolarHBondContact OE1-CE 3.09Å; E201-K205 IonicContact OE1-NZ 3.85Å; E201-K205 PolarHBondContact OE1-NZ 2.78Å; E201-K205 IonicContact OE2-NZ 3.24Å; E201-K205 PolarHBondContact OE2-NZ 2.96Å
202R57.2Low58.2Low174 Ų174136.5 Ų136.566%0.65765%0.653SS**Hα-helixtrans-60-37.7175.9-75-178.291.2-131.33112.5A198 K204 K205 E206A198-R202 WeakPolarHBondContact O-CG 3.38Å; A198-R202 PolarHBondContact O-N 3.14Å; R202-K204 VanDerWaalsContact C-N 3.31Å; R202-K204 PolarHBondContact O-N 2.96Å; R202-K205 PolarHBondContact O-N 3.17Å; R202-E206 PolarHBondContact O-N 3.35Å; R202-E206 VanDerWaalsContact O-N 3.16Å
203R60.7Low56.2Low209 Ų209134.3 Ų134.379%0.78966%0.658SS**Hα-helixtrans-72.9-24177.8-166175.3172.7-139.6-2.2112.8E200 E201E200-R203 PolarHBondContact O-N 3.28Å; E201-R203 VanDerWaalsContact C-N 3.29Å; E201-R203 PolarHBondContact O-N 3.16Å
204K57.1Low54.1Low162 Ų162136.5 Ų136.570%0.70469%0.685SS**Hα-helixtrans-82.6-30.8174.4-150.3174.4-178.5-177.20112.1E200 E201 R202 A207E200-K204 PolarHBondContact O-N 3.4Å; E201-K204 PolarHBondContact O-N 2.94Å; E201-K204 VanDerWaalsContact O-N 3.11Å; R202-K204 VanDerWaalsContact C-N 3.31Å; R202-K204 PolarHBondContact O-N 2.96Å; K204-A207 PolarHBondContact O-N 2.91Å
205K56.5Low52.3Low111 Ų111135.8 Ų135.848%0.48370%0.697SS.*Hα-helixtrans-69.6-40.8175.1-67.9165.5-172.3-179.20112E201 R202 A207 V208 E209E201-K205 VanDerWaalsContact O-CG 3.22Å; E201-K205 WeakPolarHBondContact O-CG 2.85Å; E201-K205 PolarHBondContact O-N 3.11Å; E201-K205 WeakPolarHBondContact OE1-CE 3.09Å; E201-K205 IonicContact OE1-NZ 3.85Å; E201-K205 PolarHBondContact OE1-NZ 2.78Å; E201-K205 IonicContact OE2-NZ 3.24Å; E201-K205 PolarHBondContact OE2-NZ 2.96Å; R202-K205 PolarHBondContact O-N 3.17Å; K205-A207 VanDerWaalsContact C-N 3.26Å; K205-A207 PolarHBondContact O-N 2.91Å; K205-V208 PolarHBondContact O-N 2.77Å; K205-E209 PolarHBondContact O-N 2.88Å
206E57.6Low51.1Low146 Ų146134 Ų13468%0.68271%0.705SS**THydrogen-bonded Turntrans-68.1-20175.8-75.7175.8177.300114.1R202R202-E206 PolarHBondContact O-N 3.35Å; R202-E206 VanDerWaalsContact O-N 3.16Å
207A59Low50.3Low75 Ų75135.3 Ų135.362%0.6272%0.718SS**THydrogen-bonded Turntrans-84.1-14.4176.900000113.7K204 K205K204-A207 PolarHBondContact O-N 2.91Å; K205-A207 VanDerWaalsContact C-N 3.26Å; K205-A207 PolarHBondContact O-N 2.91Å
208V59.1Low49.3Very low124 Ų124135.6 Ų135.675%0.75273%0.733SS**THydrogen-bonded Turntrans-104.4-21.4-176.7175.10000112K205 I210K205-V208 PolarHBondContact O-N 2.77Å; V208-I210 PolarHBondContact O-N 2.69Å; V208-I210 VanDerWaalsContact O-N 3.16Å
209E51.7Low48.6Very low163 Ų163138.2 Ų138.276%0.76275%0.747SS**  trans-90.771.4179.2-149.5176.6-154.800111.9K205 P211K205-E209 PolarHBondContact O-N 2.88Å; E209-P211 WeakPolarHBondContact O-CD 3.39Å
210I51.5Low47.5Very low147 Ų147133.3 Ų133.375%0.75475%0.745SS**  trans-89.3108156.8-59.7175.4000106.2V208 K212V208-I210 PolarHBondContact O-N 2.69Å; V208-I210 VanDerWaalsContact O-N 3.16Å; I210-K212 PolarHBondContact O-N 3.31Å
211P49.8Very low46.7Very low109 Ų109132 Ų13271%0.70875%0.753SS**  trans-68.2111.717624.3-29.3000109.8E209 A213E209-P211 WeakPolarHBondContact O-CD 3.39Å; P211-A213 PolarHBondContact O-N 3.26Å; P211-A213 VanDerWaalsContact O-N 3.11Å
212K43.3Very low45.7Very low212 Ų212132 Ų13292%0.92276%0.764SS**  trans-71.588.3163.7178.6169.3177161.40108.3I210I210-K212 PolarHBondContact O-N 3.31Å
213A39.1Very low45.1Very low91 Ų91130.4 Ų130.475%0.75277%0.774SS**  trans-143.593.3170.700000110.5P211P211-A213 PolarHBondContact O-N 3.26Å; P211-A213 VanDerWaalsContact O-N 3.11Å
214A36.9Very low43.7Very low105 Ų105123.4 Ų123.487%0.86877%0.767SS**  trans-171.978.615200000109.7
215S37.2Very low43Very low119 Ų119123 Ų12383%0.83277%0.772SS**  trans-140.277.7157.763.60000109.5
216S33.8Very low42.5Very low126 Ų126127.5 Ų127.588%0.88179%0.792SS**SBendtrans179.8149.8137.653.60000110
217S36.6Very low42.3Very low115 Ų115127.4 Ų127.480%0.80479%0.789SS**  trans-74.6147.1-156.748.60000117.3
218S31.4Very low42.1Very low122 Ų122127.3 Ų127.385%0.85378%0.784SS**  -168.6144.4124460000111.8
219S36.5Very low42Very low121 Ų121130.9 Ų130.985%0.84679%0.789SS**  trans-65.5128.3-179.346.70000113.7
220S32.4Very low42.4Very low107 Ų107124.4 Ų124.475%0.74877%0.766SS**  trans-164.3130137.651.40000110.1S222S220-S222 PolarHBondContact O-N 3.49Å
221S41.1Very low42.9Very low127 Ų127129.9 Ų129.989%0.88878%0.777SS**  trans-62.2113177.245.90000111.1
222S32.3Very low43.8Very low107 Ų107127.9 Ų127.975%0.74876%0.763SS**  trans-133.5127.5162.750.50000109S220 G224S220-S222 PolarHBondContact O-N 3.49Å; S222-G224 PolarHBondContact O-N 3.36Å
223V42.8Very low45.1Very low140 Ų140121.1 Ų121.185%0.84875%0.754SS**  trans-58.2106.6-176.9174.90000108.7D225V223-D225 PolarHBondContact O-N 2.89Å
224G32.4Very low46.4Very low63 Ų63124.4 Ų124.465%0.64975%0.747SS**  trans-77.1100.8178.500000110.8S222 K226S222-G224 PolarHBondContact O-N 3.36Å; G224-K226 VanDerWaalsContact C-N 3.34Å; G224-K226 PolarHBondContact O-N 2.76Å
225D42.6Very low48.3Very low152 Ų152122.4 Ų122.481%0.81373%0.725SS**  trans-56.696.9161.4-81.1-63.6000109.4V223 K227V223-D225 PolarHBondContact O-N 2.89Å; D225-K227 PolarHBondContact O-N 2.8Å
226K45.2Very low49.8Very low206 Ų206121.2 Ų121.290%0.89671%0.706SS**  trans-66.486170.4-79.8170.3168158.80108.5G224 S228G224-K226 VanDerWaalsContact C-N 3.34Å; G224-K226 PolarHBondContact O-N 2.76Å; K226-S228 PolarHBondContact O-N 3.35Å
227K53.8Low51.7Low145 Ų145120.1 Ų120.163%0.6369%0.687SS**  trans-60.399.2172.6-162.688.2164.9-170.50108.8D225 K229D225-K227 PolarHBondContact O-N 2.8Å; K227-K229 PolarHBondContact O-N 2.87Å
228S54.4Low53.4Low72 Ų72117.3 Ų117.350%0.50367%0.665SS.*  trans-59.398.9171.652.80000109.2K226 G230 Q236K226-S228 PolarHBondContact O-N 3.35Å; S228-G230 PolarHBondContact O-N 3.43Å; S228-Q236 PolarHBondContact OG-OE1 3.05Å
229K57.7Low55Low200 Ų200118 Ų11887%0.8765%0.649SS**  trans-63.9101.8167.2-85.1148.5175.91690107K227K227-K229 PolarHBondContact O-N 2.87Å
230G58.6Low56.4Low26 Ų26115.2 Ų115.227%0.26863%0.633SS.*  trans-59.9163.8178.500000112S228 T232 G233S228-G230 PolarHBondContact O-N 3.43Å; G230-T232 PolarHBondContact O-N 3.16Å; G230-G233 PolarHBondContact O-N 3.19Å
231R63.3Low57.9Low262 Ų262116.4 Ų116.499%0.98963%0.631SS**THydrogen-bonded Turntrans-52.7-15.3-174.5-79.1179.8172.8-129.1-1.1116.2
232T68.6Low58.9Low67 Ų67118.4 Ų118.441%0.41163%0.626SS.*THydrogen-bonded Turntrans-105.7-2.5-168.853.80000114.1G230 W234 W239G230-T232 PolarHBondContact O-N 3.16Å; T232-W234 VanDerWaalsContact O-CD1 3.29Å; T232-W234 PolarHBondContact O-N 3.03Å; T232-W234 VanDerWaalsContact O-N 3.14Å; T232-W239 HydrophobicContact CG2-CH2 3.29Å; T232-W239 HydrophobicContact CG2-CZ2 3.61Å; T232-W239 HydrophobicContact CG2-CZ3 4.45Å; T232-W239 WeakPolarHBondContact OG1-CH2 3.22Å; T232-W239 WeakPolarHBondContact OG1-CZ2 3.1Å
233G69.3Low60.3Low71 Ų71120.6 Ų120.673%0.73263%0.628SS**SBendtrans71.4-0.7-179.500000114.6G230G230-G233 PolarHBondContact O-N 3.19Å
234W67.4Low60.9Low160 Ų160122.7 Ų122.761%0.60663%0.626SS**SBendtrans-92.5139.3173.9-73.286.6000110.8T232 Q236 V238T232-W234 VanDerWaalsContact O-CD1 3.29Å; T232-W234 PolarHBondContact O-N 3.03Å; T232-W234 VanDerWaalsContact O-N 3.14Å; W234-Q236 PolarHBondContact O-N 2.76Å; W234-V238 HydrophobicContact CE3-CG1 4.25Å
235P76.3Confident61.6Low62 Ų62132.2 Ų132.240%0.40365%0.654SS.*  trans-61.2127174.5-20.732.1000110.7H237 V238P235-H237 WeakPolarHBondContact CB-CE1 3.25Å; P235-H237 WeakPolarHBondContact CB-ND1 3.28Å; P235-H237 PolarHBondContact O-N 3.28Å; P235-V238 HydrophobicContact CB-CG2 4.09Å; P235-V238 HydrophobicContact CG-CG2 4.27Å; P235-V238 WeakPolarHBondContact O-CB 3.42Å; P235-V238 PolarHBondContact O-N 2.89Å
236Q69.6Low62.6Low95 Ų95131.3 Ų131.344%0.44465%0.646SS.*Hα-helixtrans-52.1-31.1-175.1-77.2172.5-38.700114.5S228 W234 V238 W239 A240S228-Q236 PolarHBondContact OG-OE1 3.05Å; W234-Q236 PolarHBondContact O-N 2.76Å; Q236-V238 VanDerWaalsContact C-N 3.3Å; Q236-V238 PolarHBondContact O-N 3.11Å; Q236-W239 PolarHBondContact O-N 2.98Å; Q236-A240 PolarHBondContact O-N 2.81Å
237H72.5Confident63.5Low103 Ų103127.3 Ų127.348%0.47763%0.633SS.*Hα-helixtrans-69-26.117969.2-87.7000113.3P235 A240 L241P235-H237 WeakPolarHBondContact CB-CE1 3.25Å; P235-H237 WeakPolarHBondContact CB-ND1 3.28Å; P235-H237 PolarHBondContact O-N 3.28Å; H237-A240 PolarHBondContact O-N 2.9Å; H237-L241 WeakPolarHBondContact O-CG 3.37Å
238V73Confident64Low56 Ų56126.3 Ų126.334%0.33963%0.633SS.*Hα-helixtrans-68.9-36.4177.51770000110.6W234 P235 Q236W234-V238 HydrophobicContact CE3-CG1 4.25Å; P235-V238 HydrophobicContact CB-CG2 4.09Å; P235-V238 HydrophobicContact CG-CG2 4.27Å; P235-V238 WeakPolarHBondContact O-CB 3.42Å; P235-V238 PolarHBondContact O-N 2.89Å; Q236-V238 VanDerWaalsContact C-N 3.3Å; Q236-V238 PolarHBondContact O-N 3.11Å
239W65.4Low64.6Low135 Ų135129.5 Ų129.551%0.51164%0.64SS.*Hα-helixtrans-72.5-33.2174.5-76.9-22.3000113.9T232 Q236 L241 E242T232-W239 HydrophobicContact CG2-CH2 3.29Å; T232-W239 HydrophobicContact CG2-CZ2 3.61Å; T232-W239 HydrophobicContact CG2-CZ3 4.45Å; T232-W239 WeakPolarHBondContact OG1-CH2 3.22Å; T232-W239 WeakPolarHBondContact OG1-CZ2 3.1Å; Q236-W239 PolarHBondContact O-N 2.98Å; W239-L241 PolarHBondContact O-N 3.17Å; W239-E242 PolarHBondContact O-N 3.4Å
240A65.5Low65Low63 Ų63125.1 Ų125.152%0.52163%0.626SS.*Hα-helixtrans-67.1-24.8-178.300000112.8Q236 H237Q236-A240 PolarHBondContact O-N 2.81Å; H237-A240 PolarHBondContact O-N 2.9Å
241L63.7Low65.5Low133 Ų133131.7 Ų131.770%0.69665%0.65SS**Hα-helixtrans-78.2-22.8-179-69.2168.1000113.5H237 W239 L243H237-L241 WeakPolarHBondContact O-CG 3.37Å; W239-L241 PolarHBondContact O-N 3.17Å; L241-L243 PolarHBondContact O-N 3.46Å
242E63.4Low65.6Low168 Ų168122.4 Ų122.479%0.78563%0.626SS**THydrogen-bonded Turntrans-75.2-10.6179-156.482.2-146.900112.9W239W239-E242 PolarHBondContact O-N 3.4Å
243L60.4Low65.4Low154 Ų154126.7 Ų126.781%0.80664%0.642SS**THydrogen-bonded Turntrans-99.811-177.4-70.5169.7000113.9L241L241-L243 PolarHBondContact O-N 3.46Å
244K55.4Low65Low183 Ų183131.3 Ų131.380%0.79664%0.635SS**  trans-121.666.7174.1-83.3169.770.480.70111.3
245Q48Very low64.8Low264 Ų264128.7 Ų128.7100%1.23464%0.637SS**  trans-121.60153.2-73.9-1645.900109.2

Retrieved 245 of 245 residues in 92.2 ms (Link to these results)