Q99N36_MOUSE Loading...

Bcl-2-like protein 1

Isoform Bcl-X(L) also regulates presynaptic plasticity, including neurotransmitter release and recovery, number of axonal mitochondria as well as size and number of synaptic vesicle clusters. During synaptic stimulation, increases ATP availability from mitochondria through regulation of mitochondrial membrane ATP synthase F(1)F(0) activity and regulates endocytic vesicle retrieval in hippocampal neurons through association with DMN1L and stimulation of its GTPase activity in synaptic vesicles. May attenuate inflammation impairing NLRP1-inflammasome activation, hence CASP1 activation and IL1B release. Isoform Bcl-X(S) promotes apoptosis. Potent inhibitor of cell death. Inhibits activation of caspases. Appears to regulate cell death by blocking the voltage-dependent anion channel (VDAC) by binding to it and preventing the release of the caspase activator, CYC1, from the mitochondrial membrane. Also acts as a regulator of G2 checkpoint and progression to cytokinesis during mitosis.

AlphaFold DB , UniProt , Accession Q99N36, Species MOUSE (Mus musculus, Mouse), Gene Bclx, Length 219 aa.

Structure Viewer
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1L74.2Confident76.6Confident37 Ų3782 Ų8219%0.19445%0.451CS..  0-76.80-64.2177.7000113.4Q3 K4 G5 Y6 W8 F11 C135 V136 V139 V147L1-Q3 VanDerWaalsContact C-N 3.35Å; L1-Q3 PolarHBondContact O-N 3.29Å; L1-K4 CarbonylContact O-C 3.57Å; L1-K4 WeakPolarHBondContact O-CA 3.5Å; L1-K4 WeakPolarHBondContact O-CB 3.42Å; L1-K4 PolarHBondContact O-N 2.81Å; L1-G5 PolarHBondContact O-N 2.78Å; L1-Y6 CarbonylContact C-O 3.34Å; L1-Y6 HydrophobicContact CD2-CD2 4.26Å; L1-Y6 HydrophobicContact CD2-CG 4.47Å; L1-Y6 PolarHBondContact O-N 3.36Å; L1-W8 HydrophobicContact CD1-CE3 3.74Å; L1-W8 HydrophobicContact CD1-CZ3 3.93Å; L1-F11 HydrophobicContact CD1-CD2 4.05Å; L1-F11 HydrophobicContact CD1-CE2 4.04Å; L1-F11 HydrophobicContact CD2-CE2 4.24Å; L1-C135 HydrophobicContact CD1-CB 4.3Å; L1-C135 HydrophobicContact CG-CB 4.36Å; L1-V136 HydrophobicContact CD2-CG2 4.37Å; L1-V139 HydrophobicContact CD2-CB 4.48Å; L1-V139 HydrophobicContact CD2-CG2 3.78Å; L1-V147 HydrophobicContact CD1-CG1 3.76Å
2S78.7Confident75.1Confident107 Ų10779.3 Ų79.375%0.74844%0.442SS*.G310 helixtrans-57.4-39.8-176.2174.20000114.4K4 G5 Y6S2-K4 PolarHBondContact O-N 2.77Å; S2-K4 VanDerWaalsContact O-N 3.11Å; S2-G5 PolarHBondContact O-N 2.86Å; S2-Y6 VanDerWaalsContact CA-O 3.32Å; S2-Y6 WeakPolarHBondContact CA-O 3.25Å; S2-Y6 PolarHBondContact N-O 2.9Å
3Q76.3Confident73.2Confident113 Ų11383.4 Ų83.453%0.52846%0.462SS..G310 helixtrans-60-19.1173.1-66.7170.43.100114.2L1 D79L1-Q3 VanDerWaalsContact C-N 3.35Å; L1-Q3 PolarHBondContact O-N 3.29Å; Q3-D79 PolarHBondContact NE2-OD1 3.47Å
4K77.6Confident71.4Confident123 Ų12385.1 Ų85.154%0.53548%0.476SS..G310 helixtrans-1022.5177.4-72.5-91.5-167136.50112.8L1 S2 Y6 V136 D140L1-K4 CarbonylContact O-C 3.57Å; L1-K4 WeakPolarHBondContact O-CA 3.5Å; L1-K4 WeakPolarHBondContact O-CB 3.42Å; L1-K4 PolarHBondContact O-N 2.81Å; S2-K4 PolarHBondContact O-N 2.77Å; S2-K4 VanDerWaalsContact O-N 3.11Å; K4-Y6 HydrophobicContact CB-CD2 3.76Å; K4-Y6 HydrophobicContact CB-CE2 3.86Å; K4-V136 HydrophobicContact CD-CG1 4.15Å; K4-V136 HydrophobicContact CG-CG1 4.07Å; K4-V136 HydrophobicContact CG-CG2 4.27Å; K4-D140 IonicContact NZ-OD2 3.98Å
5G81.4Confident69.5Low71 Ų7188.8 Ų88.873%0.73249%0.488SS*.THydrogen-bonded Turntrans93.6-0.7179.800000116.1L1 S2L1-G5 PolarHBondContact O-N 2.78Å; S2-G5 PolarHBondContact O-N 2.86Å
6Y80.2Confident67.8Low79 Ų7995.3 Ų95.331%0.3151%0.514SS..  trans-91.6141.5-178.6-56.1-71.8000112.9L1 S2 K4 V139L1-Y6 CarbonylContact C-O 3.34Å; L1-Y6 HydrophobicContact CD2-CD2 4.26Å; L1-Y6 HydrophobicContact CD2-CG 4.47Å; L1-Y6 PolarHBondContact O-N 3.36Å; S2-Y6 VanDerWaalsContact CA-O 3.32Å; S2-Y6 WeakPolarHBondContact CA-O 3.25Å; S2-Y6 PolarHBondContact N-O 2.9Å; K4-Y6 HydrophobicContact CB-CD2 3.76Å; K4-Y6 HydrophobicContact CB-CE2 3.86Å; Y6-V139 HydrophobicContact CD1-CG1 3.72Å; Y6-V139 HydrophobicContact CD2-CG1 4.04Å; Y6-V139 HydrophobicContact CE1-CG1 3.45Å; Y6-V139 VanDerWaalsContact CE1-CG1 3.45Å; Y6-V139 HydrophobicContact CE2-CG1 3.8Å; Y6-V139 HydrophobicContact CG-CG1 4.02Å; Y6-V139 VanDerWaalsContact CZ-CG1 3.5Å
7S81.2Confident65.7Low54 Ų5498.2 Ų98.238%0.37853%0.529SS..  trans-93.3137.3175.6-175.30000111.2S9 Q10 F11S7-S9 PolarHBondContact O-N 2.83Å; S7-S9 PolarHBondContact OG-N 2.63Å; S7-S9 PolarHBondContact OG-OG 2.71Å; S7-Q10 WeakPolarHBondContact O-CB 3.46Å; S7-Q10 PolarHBondContact O-N 2.96Å; S7-Q10 PolarHBondContact O-OE1 2.83Å; S7-F11 WeakPolarHBondContact O-CD2 3.44Å; S7-F11 WeakPolarHBondContact O-CE2 2.97Å
8W72.8Confident64.2Low127 Ų127106.1 Ų106.148%0.48155%0.55SS..G310 helixtrans-59.4-33.9174.4-177.8-102.2000112.7L1 Q10 F11 S12 V147 A151L1-W8 HydrophobicContact CD1-CE3 3.74Å; L1-W8 HydrophobicContact CD1-CZ3 3.93Å; W8-Q10 PolarHBondContact O-N 3.1Å; W8-F11 PolarHBondContact O-N 3.17Å; W8-S12 PolarHBondContact O-N 3.42Å; W8-V147 HydrophobicContact CE3-CG1 4.29Å; W8-V147 HydrophobicContact CH2-CG1 4.01Å; W8-V147 HydrophobicContact CZ3-CG1 3.49Å; W8-V147 VanDerWaalsContact CZ3-CG1 3.49Å; W8-A151 HydrophobicContact CH2-CB 3.6Å; W8-A151 HydrophobicContact CZ2-CB 4.22Å
9S75.2Confident62.5Low70 Ų70107.3 Ų107.349%0.4956%0.563SS.*G310 helixtrans-63.6-8.3-179.766.30000114.6S7 F11 S12S7-S9 PolarHBondContact O-N 2.83Å; S7-S9 PolarHBondContact OG-N 2.63Å; S7-S9 PolarHBondContact OG-OG 2.71Å; S9-F11 VanDerWaalsContact C-N 3.3Å; S9-S12 WeakPolarHBondContact CA-OG 3.29Å; S9-S12 PolarHBondContact O-OG 3.18Å
10Q72.6Confident61.1Low111 Ų111111.4 Ų111.452%0.51958%0.579SS.*G310 helixtrans-84-10.1174.9-67.1165-26.400112.1S7 W8S7-Q10 WeakPolarHBondContact O-CB 3.46Å; S7-Q10 PolarHBondContact O-N 2.96Å; S7-Q10 PolarHBondContact O-OE1 2.83Å; W8-Q10 PolarHBondContact O-N 3.1Å
11F73.1Confident59.8Low10 Ų10110.1 Ų110.14%0.04459%0.585CS.*THydrogen-bonded Turntrans-125-8.5-171.2-45.2-61.8000113.2L1 S7 W8 S9 V139 Q144 V147L1-F11 HydrophobicContact CD1-CD2 4.05Å; L1-F11 HydrophobicContact CD1-CE2 4.04Å; L1-F11 HydrophobicContact CD2-CE2 4.24Å; S7-F11 WeakPolarHBondContact O-CD2 3.44Å; S7-F11 WeakPolarHBondContact O-CE2 2.97Å; W8-F11 PolarHBondContact O-N 3.17Å; S9-F11 VanDerWaalsContact C-N 3.3Å; F11-V139 HydrophobicContact CE1-CG2 3.91Å; F11-V139 HydrophobicContact CE2-CG2 4.31Å; F11-V139 HydrophobicContact CZ-CG1 4.46Å; F11-V139 HydrophobicContact CZ-CG2 3.66Å; F11-Q144 HydrophobicContact CD1-CB 3.99Å; F11-Q144 HydrophobicContact CD1-CG 4.44Å; F11-Q144 HydrophobicContact CE1-CB 3.97Å; F11-Q144 HydrophobicContact CE1-CG 3.9Å; F11-V147 HydrophobicContact CB-CB 4.11Å; F11-V147 HydrophobicContact CB-CG1 3.87Å; F11-V147 HydrophobicContact CD1-CB 4.45Å; F11-V147 HydrophobicContact CD1-CG2 4.39Å; F11-V147 HydrophobicContact CD2-CG1 3.95Å; F11-V147 HydrophobicContact CG-CB 4.14Å; F11-V147 HydrophobicContact CG-CG1 3.88Å; F11-V147 HydrophobicContact CG-CG2 4.43Å
12S58.7Low57.9Low49 Ų49113.9 Ų113.934%0.34361%0.611SS.*  trans-74.9-22.5-179.243.30000114.6W8 S9 V14W8-S12 PolarHBondContact O-N 3.42Å; S9-S12 WeakPolarHBondContact CA-OG 3.29Å; S9-S12 PolarHBondContact O-OG 3.18Å; S12-V14 PolarHBondContact O-N 2.82Å
13D50.4Low56Low133 Ų133117.3 Ų117.371%0.71162%0.615SS**THydrogen-bonded Turntrans-77.414.9-159.3-57.1-9.8000114.6
14V46.9Very low53.8Low107 Ų107120.7 Ų120.765%0.64863%0.631SS**THydrogen-bonded Turntrans-107.6-18.4-174.8-179.30000112.9S12S12-V14 PolarHBondContact O-N 2.82Å
15E43.8Very low52Low141 Ų141120.4 Ų120.466%0.65964%0.64SS**SBendtrans-103.3-11.4-168.7-152.5159.5170.700114.7
16E41.8Very low49.7Very low193 Ų193126.6 Ų126.690%0.90265%0.65SS**SBendtrans-127.650.1-174.1-155.6174.8-166.400114.1
17N32.1Very low47.5Very low144 Ų144127 Ų12777%0.7767%0.67SS**  trans-15074.5160.7-164.3-4.6000114
18R38.6Very low45.3Very low240 Ų240132.6 Ų132.691%0.90669%0.69SS**  trans-148.572.7151.1-87.3-153.3177.9130.41.1111.2
19T32.7Very low43.4Very low129 Ų129137.7 Ų137.779%0.79171%0.709SS**  trans-123.794.2153.2-50.40000106.9A21T19-A21 PolarHBondContact O-N 3.45Å
20E34.7Very low41.3Very low190 Ų190143 Ų14389%0.88873%0.726SS**  trans-6696.9170.4-70.3176.113200108.2
21A32Very low39.4Very low85 Ų85144.5 Ų144.570%0.70274%0.743SS**  trans-80.4124.9167.500000108.5T19 E23T19-A21 PolarHBondContact O-N 3.45Å; A21-E23 PolarHBondContact O-N 3.07Å
22P35.8Very low37.8Very low115 Ų115150 Ų15075%0.74778%0.78SS**  trans-62.5135.8175.1-22.634.1000111.6E24P22-E24 PolarHBondContact O-N 3.35Å
23E38.1Very low37Very low180 Ų180153.6 Ų153.684%0.84181%0.805SS**  trans-76.295174.1-168.9-178.6153.900109.3A21A21-E23 PolarHBondContact O-N 3.07Å
24E30.7Very low36.1Very low184 Ų184151.8 Ų151.886%0.8681%0.809SS**  trans-103.496.9171.4-72.6-166.4167.200111P22P22-E24 PolarHBondContact O-N 3.35Å
25T38.7Very low35.5Very low117 Ų117154.1 Ų154.172%0.71882%0.816SS**  trans-72119.6164.247.10000111
26E32.8Very low34.9Very low200 Ų200154.7 Ų154.794%0.93582%0.823SS**  trans-133.7130.9151.5-71.8-156.4141.900110.6
27A34.9Very low34.3Very low89 Ų89149.1 Ų149.174%0.73682%0.818SS**  trans-121.6144-178.400000110.7
28E34.1Very low34.5Very low170 Ų170148.2 Ų148.279%0.79481%0.813SS**  trans63.1124.7168-50-174.993.100118.4
29R33.2Very low34.7Very low234 Ų234142.5 Ų142.588%0.88381%0.807SS**  -174153.194.2-94.1162-160.3-1747.2113.7
30E32.1Very low35.3Very low182 Ų182140 Ų14085%0.8579%0.794SS**  trans-81.8163.6-176.8-51.7168.9103.500113.2
31T32Very low35.5Very low143 Ų143142.6 Ų142.688%0.87780%0.796SS**  -174156.9122.121.40000112.9
32P39.2Very low35.9Very low126 Ų126146 Ų14682%0.81880%0.798SS**  trans-110.8179.7-16342.2-35.6000116.9
33S41.7Very low35.7Very low123 Ų123147.3 Ų147.386%0.8680%0.797SS**  trans-62145.4-172.5-51.50000119.1
34A31.5Very low35.4Very low96 Ų96143.7 Ų143.779%0.79380%0.798SS**  trans-168.3159.8157.100000110
35I34.3Very low35.5Very low155 Ų155141.8 Ų141.880%0.79579%0.794SS**  cis-163.9140.2-27.7-18058.4000109.8
36N31.1Very low35.6Very low153 Ų153142 Ų14282%0.81880%0.8SS**  trans20.7131.9160.5-166.821.4000122.6
37G30Very low36.4Very low77 Ų77138 Ų13879%0.79479%0.792SS**  trans174.183.2158.900000116.8
38N36.2Very low36.5Very low125 Ų125138.6 Ų138.667%0.66880%0.797SS**  trans-86.2158.8174.5-160.426.5000111.5S40N38-S40 PolarHBondContact ND2-OG 3.07Å; N38-S40 VanDerWaalsContact ND2-OG 3.11Å; N38-S40 PolarHBondContact OD1-N 3.32Å
39P43Very low36.8Very low119 Ų119137.3 Ų137.377%0.77380%0.8SS**  -143.3156.482.532.9-13000117
40S44.5Very low37.4Very low76 Ų76134 Ų13453%0.53180%0.8SS.*  trans-82163-175.7-39.90000115.2N38N38-S40 PolarHBondContact ND2-OG 3.07Å; N38-S40 VanDerWaalsContact ND2-OG 3.11Å; N38-S40 PolarHBondContact OD1-N 3.32Å
41W39.8Very low38.1Very low246 Ų246129 Ų12993%0.93280%0.798SS**  trans-122.5155.8154.4-70.4101000110.8
42H39.5Very low38.4Very low157 Ų157127 Ų12773%0.72780%0.795SS**  trans-97.9154-149-76.3-104000117.2
43L32.1Very low38.8Very low142 Ų142126.9 Ų126.974%0.74379%0.792SS**  trans23.2132.6149.8-73.490.3000121.1
44A32.3Very low38.9Very low104 Ų104124.7 Ų124.786%0.8679%0.789SS**  trans-149.1117.2131.400000110.8
45D32.4Very low39.3Very low144 Ų144127.1 Ų127.177%0.7778%0.784SS**  trans-79138.4166.9-78.4-63.7000110.8
46S41Very low39.7Very low121 Ų121126 Ų12685%0.84679%0.79SS**  trans-173.5157.3138.1-86.40000112.8
47P49.2Very low40.3Very low117 Ų117124.2 Ų124.276%0.7679%0.789SS**  trans-114.8173-153.141.2-32.5000116.2
48A37.3Very low41.1Very low101 Ų101125.1 Ų125.184%0.83578%0.783SS**  trans70.5115.7158.200000119.4
49V40.1Very low41.6Very low142 Ų142126.8 Ų126.886%0.86179%0.791SS**  -154.8144.1105.779.10000110.6
50N46.6Very low41.5Very low165 Ų165128.6 Ų128.688%0.88279%0.794SS**  trans-84.7144.1170.1-60.4-58.4000109.7
51G45.7Very low41.4Very low78 Ų78129.9 Ų129.980%0.80481%0.809SS**  trans134.276.4161.800000115.8
52A39.1Very low41.4Very low100 Ų100128.5 Ų128.583%0.82680%0.804SS**  trans-148.762.6160.100000110.4G54A52-G54 PolarHBondContact O-N 3.16Å
53T47Very low41.8Very low124 Ų124128.7 Ų128.776%0.76181%0.805SS**  trans-64.391.9155.926.60000107.6H55T53-H55 VanDerWaalsContact C-N 3.32Å; T53-H55 PolarHBondContact O-N 3.29Å
54G43.4Very low42.8Very low76 Ų76127.8 Ų127.878%0.78481%0.806SS**  trans-66.585.9174.800000111.5A52A52-G54 PolarHBondContact O-N 3.16Å
55H41.8Very low44Very low148 Ų148126.2 Ų126.269%0.68578%0.782SS**  trans-122.536.6176-67.2-122.4000111.1T53 S57T53-H55 VanDerWaalsContact C-N 3.32Å; T53-H55 PolarHBondContact O-N 3.29Å; H55-S57 PolarHBondContact O-N 2.85Å; H55-S57 VanDerWaalsContact O-N 3.1Å
56S42.6Very low45.8Very low132 Ų132123.4 Ų123.492%0.92377%0.771SS**  trans-80.870.7159.5-73.60000109.8
57S42.5Very low47Very low115 Ų115122.9 Ų122.980%0.80476%0.757SS**  trans-133.745.9165.170.90000109.6H55H55-S57 PolarHBondContact O-N 2.85Å; H55-S57 VanDerWaalsContact O-N 3.1Å
58S47.8Very low48Very low96 Ų96120.9 Ų120.967%0.67175%0.75SS**  trans-116.4141.1168.2-172.80000107.2
59L46.6Very low49.4Very low159 Ų159118.6 Ų118.683%0.83273%0.732SS**SBendtrans72.357.7-176.2-43.7179.8000115.6
60D39.8Very low50.8Low157 Ų157112.1 Ų112.184%0.8469%0.692SS**  -170.957.6127.8-104.1-35.3000111.4R62D60-R62 PolarHBondContact O-N 2.78Å
61A41.9Very low52Low103 Ų103111.2 Ų111.285%0.85168%0.68SS**  trans-72.971.3158.500000108.1E63A61-E63 PolarHBondContact O-N 3.3Å; A61-E63 VanDerWaalsContact O-N 3.13Å
62R40.8Very low53.3Low218 Ų218111.8 Ų111.882%0.82366%0.662SS**  trans-45.4120.2174-179.2171.7173.8167.5-3.7107.7D60 V64D60-R62 PolarHBondContact O-N 2.78Å; R62-V64 VanDerWaalsContact C-N 3.25Å; R62-V64 WeakPolarHBondContact O-CG2 3.45Å; R62-V64 PolarHBondContact O-N 2.81Å
63E47.4Very low54.8Low160 Ų160107.4 Ų107.475%0.74863%0.626SS**  trans-69.779.1-165.5-166.5175-15700110.8A61 I65A61-E63 PolarHBondContact O-N 3.3Å; A61-E63 VanDerWaalsContact O-N 3.13Å; E63-I65 PolarHBondContact O-N 3.41Å
64V54.1Low56.1Low124 Ų124103.2 Ų103.275%0.75260%0.599SS**  trans-69.1105.4177.6-177.50000107.5R62 P66R62-V64 VanDerWaalsContact C-N 3.25Å; R62-V64 WeakPolarHBondContact O-CG2 3.45Å; R62-V64 PolarHBondContact O-N 2.81Å; V64-P66 WeakPolarHBondContact O-CD 3.49Å; V64-P66 VanDerWaalsContact O-N 3.1Å
65I58.1Low57.7Low70 Ų70106.2 Ų106.236%0.35959%0.586SS.*  trans-48.7118.8172.5-56.8156.7000107.5E63 M67 V70E63-I65 PolarHBondContact O-N 3.41Å; I65-M67 PolarHBondContact O-N 3.13Å; I65-V70 HydrophobicContact CG2-CG2 3.73Å
66P68.8Low59.3Low85 Ų85102.1 Ų102.155%0.55257%0.568SS**  trans-67.2106.7-177.224.2-31.7000108.6V64 A68 A69V64-P66 WeakPolarHBondContact O-CD 3.49Å; V64-P66 VanDerWaalsContact O-N 3.1Å; P66-A68 PolarHBondContact O-N 3.36Å; P66-A69 HydrophobicContact CG-CB 4.06Å; P66-A69 WeakPolarHBondContact O-CB 3.26Å; P66-A69 PolarHBondContact O-N 3.14Å
67M67.4Low60.6Low111 Ų11196.3 Ų96.355%0.54753%0.527SS..Hα-helixtrans-53.9-24.3-179.2-77.7-57.2-56.900113.4I65 A69 V70 K71I65-M67 PolarHBondContact O-N 3.13Å; M67-A69 VanDerWaalsContact C-N 3.34Å; M67-V70 PolarHBondContact O-N 3.49Å; M67-K71 WeakPolarHBondContact O-CB 3.19Å; M67-K71 VanDerWaalsContact O-CG 3.24Å; M67-K71 WeakPolarHBondContact O-CG 3.09Å; M67-K71 PolarHBondContact O-N 3.48Å
68A68.8Low62.1Low75 Ų7591.2 Ų91.262%0.6249%0.494SS*.Hα-helixtrans-58.6-40.7170.100000113P66 Q72P66-A68 PolarHBondContact O-N 3.36Å; A68-Q72 VanDerWaalsContact O-CB 3.23Å; A68-Q72 WeakPolarHBondContact O-CB 3.39Å; A68-Q72 PolarHBondContact O-N 3.07Å
69A66.5Low63.5Low53 Ų5389.6 Ų89.644%0.43848%0.477SS..Hα-helixtrans-70-40.5178.200000112P66 M67 Q72 A73P66-A69 HydrophobicContact CG-CB 4.06Å; P66-A69 WeakPolarHBondContact O-CB 3.26Å; P66-A69 PolarHBondContact O-N 3.14Å; M67-A69 VanDerWaalsContact C-N 3.34Å; A69-Q72 PolarHBondContact O-N 3.5Å; A69-A73 VanDerWaalsContact O-CB 3.27Å; A69-A73 WeakPolarHBondContact O-CB 3.31Å; A69-A73 PolarHBondContact O-N 3.17Å
70V71Confident64.7Low6 Ų685.4 Ų85.44%0.03645%0.454CS..Hα-helixtrans-63-49.4175.1-178.20000110.2I65 M67 Q72 A73 L74 W172I65-V70 HydrophobicContact CG2-CG2 3.73Å; M67-V70 PolarHBondContact O-N 3.49Å; V70-Q72 PolarHBondContact O-N 2.63Å; V70-A73 PolarHBondContact O-N 2.94Å; V70-L74 HydrophobicContact CG1-CD1 4.08Å; V70-L74 WeakPolarHBondContact O-CB 3.29Å; V70-L74 WeakPolarHBondContact O-CG 3.34Å; V70-L74 PolarHBondContact O-N 2.87Å; V70-W172 HydrophobicContact CG1-CB 4.39Å; V70-W172 HydrophobicContact CG1-CD2 4.29Å; V70-W172 HydrophobicContact CG1-CE3 3.88Å; V70-W172 HydrophobicContact CG2-CB 4.12Å
71K71.4Confident66.3Low145 Ų14578.8 Ų78.863%0.6342%0.417SS*.Hα-helixtrans-58.4-45.2176.1-73.7173.1178.4-1750112.4M67 R75M67-K71 WeakPolarHBondContact O-CB 3.19Å; M67-K71 VanDerWaalsContact O-CG 3.24Å; M67-K71 WeakPolarHBondContact O-CG 3.09Å; M67-K71 PolarHBondContact O-N 3.48Å; K71-R75 WeakPolarHBondContact O-CB 3.37Å; K71-R75 PolarHBondContact O-N 3.49Å
72Q73Confident67.8Low90 Ų9077.2 Ų77.242%0.42139%0.392SS..Hα-helixtrans-65.2-42.2178.717858.22900112A68 A69 V70 R75 E76A68-Q72 VanDerWaalsContact O-CB 3.23Å; A68-Q72 WeakPolarHBondContact O-CB 3.39Å; A68-Q72 PolarHBondContact O-N 3.07Å; A69-Q72 PolarHBondContact O-N 3.5Å; V70-Q72 PolarHBondContact O-N 2.63Å; Q72-R75 PolarHBondContact O-N 3.44Å; Q72-E76 PolarHBondContact NE2-OE1 3.06Å; Q72-E76 PolarHBondContact O-N 2.64Å
73A71.1Confident69.5Low9 Ų971.9 Ų71.97%0.07438%0.379CS..Hα-helixtrans-71.6-39.1-179.800000112.9A69 V70 R75 E76 A77 L180 F184A69-A73 VanDerWaalsContact O-CB 3.27Å; A69-A73 WeakPolarHBondContact O-CB 3.31Å; A69-A73 PolarHBondContact O-N 3.17Å; V70-A73 PolarHBondContact O-N 2.94Å; A73-R75 VanDerWaalsContact C-N 3.27Å; A73-R75 PolarHBondContact O-N 3.16Å; A73-E76 PolarHBondContact O-N 2.84Å; A73-A77 VanDerWaalsContact O-CB 3.31Å; A73-A77 WeakPolarHBondContact O-CB 3.38Å; A73-A77 PolarHBondContact O-N 3.45Å; A73-L180 HydrophobicContact CB-CB 3.81Å; A73-L180 HydrophobicContact CB-CD2 3.48Å; A73-L180 VanDerWaalsContact CB-CD2 3.48Å; A73-L180 HydrophobicContact CB-CG 4.23Å; A73-F184 HydrophobicContact CB-CE2 4.3Å
74L73Confident70.4Confident36 Ų3669.9 Ų69.919%0.18837%0.365CS..Hα-helixtrans-60.4-38.7170.4-78.7172.5000111.4V70 G78 F128 W172V70-L74 HydrophobicContact CG1-CD1 4.08Å; V70-L74 WeakPolarHBondContact O-CB 3.29Å; V70-L74 WeakPolarHBondContact O-CG 3.34Å; V70-L74 PolarHBondContact O-N 2.87Å; L74-G78 PolarHBondContact O-N 3.26Å; L74-F128 HydrophobicContact CD1-CE2 4.08Å; L74-F128 HydrophobicContact CD1-CZ 4.17Å; L74-F128 HydrophobicContact CD2-CD2 3.79Å; L74-F128 HydrophobicContact CD2-CE2 3.88Å; L74-W172 HydrophobicContact CD1-CZ3 4.31Å; L74-W172 HydrophobicContact CD2-CZ3 4.26Å
75R78.3Confident71Confident138 Ų13866.1 Ų66.152%0.52134%0.338SS..Hα-helixtrans-66.4-48.4175.3-174.7175178.4-133.7-7.9112.5K71 Q72 A73 A77 G78 D79K71-R75 WeakPolarHBondContact O-CB 3.37Å; K71-R75 PolarHBondContact O-N 3.49Å; Q72-R75 PolarHBondContact O-N 3.44Å; A73-R75 VanDerWaalsContact C-N 3.27Å; A73-R75 PolarHBondContact O-N 3.16Å; R75-A77 VanDerWaalsContact C-N 3.3Å; R75-A77 PolarHBondContact O-N 3.35Å; R75-G78 PolarHBondContact O-N 3.09Å; R75-D79 IonicContact NE-OD2 3.94Å; R75-D79 WeakPolarHBondContact O-CB 3.3Å; R75-D79 VanDerWaalsContact O-CG 3.29Å; R75-D79 PolarHBondContact O-N 3.43Å
76E75.2Confident71.4Confident63 Ų6370.1 Ų70.129%0.29435%0.348SS..Hα-helixtrans-57.8-43.3175.2-78.5177.5-144.200111.6Q72 A73 E80 R181Q72-E76 PolarHBondContact NE2-OE1 3.06Å; Q72-E76 PolarHBondContact O-N 2.64Å; A73-E76 PolarHBondContact O-N 2.84Å; E76-E80 WeakPolarHBondContact O-CB 3.2Å; E76-E80 PolarHBondContact O-N 2.93Å; E76-E80 VanDerWaalsContact O-N 3.08Å; E76-R181 IonicContact OE1-NH2 3.87Å; E76-R181 IonicContact OE2-CZ 3.2Å; E76-R181 IonicContact OE2-NE 2.82Å; E76-R181 PolarHBondContact OE2-NE 3.49Å; E76-R181 IonicContact OE2-NH2 2.75Å; E76-R181 PolarHBondContact OE2-NH2 2.74Å
77A69.1Low71.2Confident9 Ų976.1 Ų76.17%0.07436%0.36CS..Hα-helixtrans-66.9-43.5178.100000112.3A73 R75 E80 F81 V125 F184A73-A77 VanDerWaalsContact O-CB 3.31Å; A73-A77 WeakPolarHBondContact O-CB 3.38Å; A73-A77 PolarHBondContact O-N 3.45Å; R75-A77 VanDerWaalsContact C-N 3.3Å; R75-A77 PolarHBondContact O-N 3.35Å; A77-E80 PolarHBondContact O-N 3.42Å; A77-F81 WeakPolarHBondContact O-CB 3.38Å; A77-F81 PolarHBondContact O-N 3Å; A77-V125 HydrophobicContact CB-CG1 4.08Å; A77-V125 HydrophobicContact CB-CG2 3.86Å; A77-F184 HydrophobicContact CB-CD1 3.98Å; A77-F184 HydrophobicContact CB-CD2 4.43Å; A77-F184 HydrophobicContact CB-CE1 4Å; A77-F184 HydrophobicContact CB-CE2 4.43Å; A77-F184 HydrophobicContact CB-CG 4.23Å; A77-F184 HydrophobicContact CB-CZ 4.23Å
78G75.1Confident71.1Confident9 Ų971.9 Ų71.99%0.09334%0.342CS..Hα-helixtrans-62.5-47.417600000112.6L74 R75 E80 F81 E82L74-G78 PolarHBondContact O-N 3.26Å; R75-G78 PolarHBondContact O-N 3.09Å; G78-E80 VanDerWaalsContact C-N 3.3Å; G78-E80 PolarHBondContact O-N 3.49Å; G78-F81 PolarHBondContact O-N 3.44Å; G78-E82 WeakPolarHBondContact O-CB 3.44Å; G78-E82 WeakPolarHBondContact O-CG 3.36Å; G78-E82 PolarHBondContact O-N 3.01Å
79D76.9Confident70.8Confident62 Ų6269.1 Ų69.133%0.33232%0.316SS..Hα-helixtrans-58.5-41175.9-72.1-26.1000111.2Q3 R75 L83Q3-D79 PolarHBondContact NE2-OD1 3.47Å; R75-D79 IonicContact NE-OD2 3.94Å; R75-D79 WeakPolarHBondContact O-CB 3.3Å; R75-D79 VanDerWaalsContact O-CG 3.29Å; R75-D79 PolarHBondContact O-N 3.43Å; D79-L83 WeakPolarHBondContact O-CB 3.32Å; D79-L83 PolarHBondContact O-N 3.47Å; D79-L83 VanDerWaalsContact O-N 3.13Å
80E72.2Confident70.7Confident71 Ų7169.5 Ų69.533%0.33232%0.316SS..Hα-helixtrans-73.1-35.2179-155.1-166.6165.800112.8E76 A77 G78 R84E76-E80 WeakPolarHBondContact O-CB 3.2Å; E76-E80 PolarHBondContact O-N 2.93Å; E76-E80 VanDerWaalsContact O-N 3.08Å; A77-E80 PolarHBondContact O-N 3.42Å; G78-E80 VanDerWaalsContact C-N 3.3Å; G78-E80 PolarHBondContact O-N 3.49Å; E80-R84 PolarHBondContact O-N 3.16Å; E80-R84 IonicContact OE1-CZ 3.5Å; E80-R84 IonicContact OE1-NH1 3.18Å; E80-R84 PolarHBondContact OE1-NH1 3.04Å; E80-R84 IonicContact OE1-NH2 2.69Å; E80-R84 PolarHBondContact OE1-NH2 3.22Å; E80-R84 IonicContact OE2-NH1 2.78Å
81F72Confident70.4Confident17 Ų1773.1 Ų73.18%0.07534%0.335CS..Hα-helixtrans-71.2-48.5178.5-176.3-93.4000111.2A77 G78 L83 R84 Y85 F89 V125 A126 V197A77-F81 WeakPolarHBondContact O-CB 3.38Å; A77-F81 PolarHBondContact O-N 3Å; G78-F81 PolarHBondContact O-N 3.44Å; F81-L83 VanDerWaalsContact C-N 3.28Å; F81-L83 PolarHBondContact O-N 3.13Å; F81-R84 PolarHBondContact O-N 2.93Å; F81-Y85 HydrophobicContact CD1-CD2 4.1Å; F81-Y85 AromaticContact CD2-CD2 3.5Å; F81-Y85 HydrophobicContact CD2-CD2 3.5Å; F81-Y85 AromaticContact CD2-CE2 3.41Å; F81-Y85 HydrophobicContact CD2-CE2 3.41Å; F81-Y85 VanDerWaalsContact CD2-CE2 3.41Å; F81-Y85 HydrophobicContact CE1-CD2 4.03Å; F81-Y85 AromaticContact CE2-CD2 3.41Å; F81-Y85 HydrophobicContact CE2-CD2 3.41Å; F81-Y85 VanDerWaalsContact CE2-CD2 3.41Å; F81-Y85 AromaticContact CE2-CE2 3.36Å; F81-Y85 HydrophobicContact CE2-CE2 3.36Å; F81-Y85 AromaticContact CG-CD2 3.82Å; F81-Y85 HydrophobicContact CG-CD2 3.82Å; F81-Y85 HydrophobicContact CG-CE2 4.15Å; F81-Y85 AromaticContact CZ-CD2 3.67Å; F81-Y85 HydrophobicContact CZ-CD2 3.67Å; F81-Y85 HydrophobicContact CZ-CE2 4.08Å; F81-Y85 VanDerWaalsContact O-CD2 3.23Å; F81-Y85 WeakPolarHBondContact O-CD2 3.25Å; F81-Y85 PolarHBondContact O-N 3.43Å; F81-F89 HydrophobicContact CD1-CE2 4.33Å; F81-F89 HydrophobicContact CD1-CZ 4.48Å; F81-F89 HydrophobicContact CE1-CD2 4.25Å; F81-F89 AromaticContact CE1-CE2 3.37Å; F81-F89 HydrophobicContact CE1-CE2 3.37Å; F81-F89 AromaticContact CE1-CZ 3.55Å; F81-F89 HydrophobicContact CE1-CZ 3.55Å; F81-F89 AromaticContact CZ-CE2 3.97Å; F81-F89 HydrophobicContact CZ-CE2 3.97Å; F81-F89 HydrophobicContact CZ-CZ 4.34Å; F81-V125 HydrophobicContact CB-CG1 3.85Å; F81-V125 HydrophobicContact CD1-CG1 4.44Å; F81-V125 HydrophobicContact CD2-CG1 4.17Å; F81-V125 HydrophobicContact CG-CG1 3.92Å; F81-A126 HydrophobicContact CE1-CB 3.84Å; F81-A126 HydrophobicContact CE2-CB 4.09Å; F81-A126 HydrophobicContact CZ-CB 3.38Å; F81-V197 HydrophobicContact CZ-CG1 4.05Å
82E73.7Confident70Confident70 Ų7067.3 Ų67.333%0.32731%0.311SS..Hα-helixtrans-59.2-36.6172-74.4178.7-15000112.2G78 R86G78-E82 WeakPolarHBondContact O-CB 3.44Å; G78-E82 WeakPolarHBondContact O-CG 3.36Å; G78-E82 PolarHBondContact O-N 3.01Å; E82-R86 VanDerWaalsContact O-CA 3.25Å; E82-R86 WeakPolarHBondContact O-CA 3.35Å; E82-R86 VanDerWaalsContact O-CB 3.27Å; E82-R86 WeakPolarHBondContact O-CB 3.27Å; E82-R86 PolarHBondContact O-N 3.34Å
83L75.8Confident69.6Low106 Ų10664 Ų6456%0.55530%0.297SS*.Hα-helixtrans-64-41175.9178.362.7000112.4D79 F81 R86D79-L83 WeakPolarHBondContact O-CB 3.32Å; D79-L83 PolarHBondContact O-N 3.47Å; D79-L83 VanDerWaalsContact O-N 3.13Å; F81-L83 VanDerWaalsContact C-N 3.28Å; F81-L83 PolarHBondContact O-N 3.13Å; L83-R86 VanDerWaalsContact CD1-NH2 3.3Å
84R67.9Low69.3Low119 Ų11967.3 Ų67.345%0.44932%0.319SS..Hα-helixtrans-75.2-42.2179.3-74.1-162.8-178.184.98.6113E80 F81 V188E80-R84 PolarHBondContact O-N 3.16Å; E80-R84 IonicContact OE1-CZ 3.5Å; E80-R84 IonicContact OE1-NH1 3.18Å; E80-R84 PolarHBondContact OE1-NH1 3.04Å; E80-R84 IonicContact OE1-NH2 2.69Å; E80-R84 PolarHBondContact OE1-NH2 3.22Å; E80-R84 IonicContact OE2-NH1 2.78Å; F81-R84 PolarHBondContact O-N 2.93Å; R84-V188 VanDerWaalsContact NH1-CG1 3.3Å; R84-V188 VanDerWaalsContact NH2-CG1 3.28Å
85Y65.2Low68.7Low44 Ų4469.7 Ų69.717%0.17333%0.33CS..Hα-helixtrans-104.215.1-170.4-52.5-56.2000113.5F81 R87 A88 F89 A194 C198F81-Y85 HydrophobicContact CD1-CD2 4.1Å; F81-Y85 AromaticContact CD2-CD2 3.5Å; F81-Y85 HydrophobicContact CD2-CD2 3.5Å; F81-Y85 AromaticContact CD2-CE2 3.41Å; F81-Y85 HydrophobicContact CD2-CE2 3.41Å; F81-Y85 VanDerWaalsContact CD2-CE2 3.41Å; F81-Y85 HydrophobicContact CE1-CD2 4.03Å; F81-Y85 AromaticContact CE2-CD2 3.41Å; F81-Y85 HydrophobicContact CE2-CD2 3.41Å; F81-Y85 VanDerWaalsContact CE2-CD2 3.41Å; F81-Y85 AromaticContact CE2-CE2 3.36Å; F81-Y85 HydrophobicContact CE2-CE2 3.36Å; F81-Y85 AromaticContact CG-CD2 3.82Å; F81-Y85 HydrophobicContact CG-CD2 3.82Å; F81-Y85 HydrophobicContact CG-CE2 4.15Å; F81-Y85 AromaticContact CZ-CD2 3.67Å; F81-Y85 HydrophobicContact CZ-CD2 3.67Å; F81-Y85 HydrophobicContact CZ-CE2 4.08Å; F81-Y85 VanDerWaalsContact O-CD2 3.23Å; F81-Y85 WeakPolarHBondContact O-CD2 3.25Å; F81-Y85 PolarHBondContact O-N 3.43Å; Y85-R87 PolarHBondContact O-N 3.07Å; Y85-A88 PolarHBondContact O-N 2.89Å; Y85-A88 VanDerWaalsContact O-N 3.12Å; Y85-F89 PolarHBondContact O-N 3.28Å; Y85-A194 HydrophobicContact CE1-CB 3.49Å; Y85-A194 VanDerWaalsContact CE1-CB 3.49Å; Y85-A194 WeakPolarHBondContact OH-CB 3.45Å; Y85-C198 WeakPolarHBondContact CD1-SG 3.23Å
86R67.3Low68Low154 Ų15464 Ų6458%0.58131%0.309SS*.Hα-helixtrans-44.1-41-176.5-172.7174.1-69.4138.6-0.4115.1E82 L83 S90E82-R86 VanDerWaalsContact O-CA 3.25Å; E82-R86 WeakPolarHBondContact O-CA 3.35Å; E82-R86 VanDerWaalsContact O-CB 3.27Å; E82-R86 WeakPolarHBondContact O-CB 3.27Å; E82-R86 PolarHBondContact O-N 3.34Å; L83-R86 VanDerWaalsContact CD1-NH2 3.3Å; R86-S90 WeakPolarHBondContact O-CB 3.29Å; R86-S90 PolarHBondContact O-N 3.02Å
87R65.4Low67.5Low211 Ų21168.4 Ų68.480%0.79633%0.33SS*.Hα-helixtrans-68.2-60.7179.2-69.6-176.1-177.2156.10.5110.6Y85 F89 S90 D91Y85-R87 PolarHBondContact O-N 3.07Å; R87-F89 PolarHBondContact O-N 3.4Å; R87-F89 VanDerWaalsContact O-N 3.17Å; R87-S90 CarbonylContact O-C 3.58Å; R87-S90 WeakPolarHBondContact O-CA 3.25Å; R87-S90 WeakPolarHBondContact O-CB 3.37Å; R87-S90 PolarHBondContact O-N 3.23Å; R87-D91 PolarHBondContact O-N 2.94Å; R87-D91 VanDerWaalsContact O-OD2 3.08Å
88A63.6Low67.4Low22 Ų2268.4 Ų68.418%0.18233%0.328CS..Hα-helixtrans-53.8-39.2177.600000112.9Y85 D91 L92 C198Y85-A88 PolarHBondContact O-N 2.89Å; Y85-A88 VanDerWaalsContact O-N 3.12Å; A88-D91 PolarHBondContact O-N 2.99Å; A88-L92 WeakPolarHBondContact O-CB 3.26Å; A88-L92 PolarHBondContact O-N 3.21Å; A88-C198 HydrophobicContact CB-CB 3.57Å; A88-C198 VanDerWaalsContact CB-SG 3.57Å
89F63.5Low67.3Low17 Ų1771.1 Ų71.18%0.07534%0.343CS..Hα-helixtrans-67.8-41.9174.2-96.7-98.5000113.4F81 Y85 R87 D91 L92 T93 F130 V197F81-F89 HydrophobicContact CD1-CE2 4.33Å; F81-F89 HydrophobicContact CD1-CZ 4.48Å; F81-F89 HydrophobicContact CE1-CD2 4.25Å; F81-F89 AromaticContact CE1-CE2 3.37Å; F81-F89 HydrophobicContact CE1-CE2 3.37Å; F81-F89 AromaticContact CE1-CZ 3.55Å; F81-F89 HydrophobicContact CE1-CZ 3.55Å; F81-F89 AromaticContact CZ-CE2 3.97Å; F81-F89 HydrophobicContact CZ-CE2 3.97Å; F81-F89 HydrophobicContact CZ-CZ 4.34Å; Y85-F89 PolarHBondContact O-N 3.28Å; R87-F89 PolarHBondContact O-N 3.4Å; R87-F89 VanDerWaalsContact O-N 3.17Å; F89-D91 VanDerWaalsContact C-N 3.3Å; F89-D91 PolarHBondContact O-N 3.25Å; F89-L92 PolarHBondContact O-N 2.89Å; F89-T93 WeakPolarHBondContact O-CG2 3.29Å; F89-T93 PolarHBondContact O-N 2.98Å; F89-T93 PolarHBondContact O-OG1 3.47Å; F89-T93 VanDerWaalsContact O-OG1 3.08Å; F89-F130 HydrophobicContact CE1-CB 4.24Å; F89-V197 HydrophobicContact CE2-CG1 4.36Å
90S64.8Low67.2Low61 Ų6171.5 Ų71.543%0.42735%0.349SS..Hα-helixtrans-63.4-37.8174.3-172.30000111.8R86 R87 T93 S94R86-S90 WeakPolarHBondContact O-CB 3.29Å; R86-S90 PolarHBondContact O-N 3.02Å; R87-S90 CarbonylContact O-C 3.58Å; R87-S90 WeakPolarHBondContact O-CA 3.25Å; R87-S90 WeakPolarHBondContact O-CB 3.37Å; R87-S90 PolarHBondContact O-N 3.23Å; S90-T93 PolarHBondContact O-OG1 3.05Å; S90-S94 VanDerWaalsContact O-CB 3.26Å; S90-S94 WeakPolarHBondContact O-CB 3.38Å; S90-S94 PolarHBondContact O-N 2.79Å; S90-S94 PolarHBondContact O-OG 3.48Å
91D65Low67.5Low82 Ų8271.5 Ų71.544%0.43937%0.368SS..Hα-helixtrans-72.3-40.6179.7-59.2-32.8000110.3R87 A88 F89 S94 Q95R87-D91 PolarHBondContact O-N 2.94Å; R87-D91 VanDerWaalsContact O-OD2 3.08Å; A88-D91 PolarHBondContact O-N 2.99Å; F89-D91 VanDerWaalsContact C-N 3.3Å; F89-D91 PolarHBondContact O-N 3.25Å; D91-S94 PolarHBondContact O-N 3.07Å; D91-Q95 WeakPolarHBondContact O-CB 3.39Å; D91-Q95 VanDerWaalsContact O-CG 3.25Å; D91-Q95 WeakPolarHBondContact O-CG 3.23Å; D91-Q95 PolarHBondContact O-N 3.08Å; D91-Q95 VanDerWaalsContact O-N 3.14Å; D91-Q95 PolarHBondContact O-NE2 2.94Å; D91-Q95 VanDerWaalsContact O-NE2 3.13Å
92L62.6Low67.9Low24 Ų2473 Ų7313%0.12638%0.378CS..Hα-helixtrans-62.9-48.2174.2-176.969000112A88 F89 S94 Q95 L96 F130A88-L92 WeakPolarHBondContact O-CB 3.26Å; A88-L92 PolarHBondContact O-N 3.21Å; F89-L92 PolarHBondContact O-N 2.89Å; L92-S94 VanDerWaalsContact C-N 3.34Å; L92-S94 PolarHBondContact O-N 3.12Å; L92-Q95 PolarHBondContact O-N 2.89Å; L92-L96 HydrophobicContact CD1-CD1 3.95Å; L92-L96 HydrophobicContact CG-CD1 4.11Å; L92-L96 VanDerWaalsContact O-CD1 3.3Å; L92-L96 WeakPolarHBondContact O-CD1 3.48Å; L92-L96 PolarHBondContact O-N 3.01Å; L92-L96 VanDerWaalsContact O-N 3.07Å; L92-F130 HydrophobicContact CD2-CD2 3.88Å; L92-F130 HydrophobicContact CD2-CE2 4.15Å
93T64.4Low68.3Low21 Ų2169.7 Ų69.713%0.12936%0.363CS..Hα-helixtrans-67.3-35.1178.9550000112.6F89 S90 Q95 A133F89-T93 WeakPolarHBondContact O-CG2 3.29Å; F89-T93 PolarHBondContact O-N 2.98Å; F89-T93 PolarHBondContact O-OG1 3.47Å; F89-T93 VanDerWaalsContact O-OG1 3.08Å; S90-T93 PolarHBondContact O-OG1 3.05Å; T93-Q95 VanDerWaalsContact C-N 3.32Å; T93-Q95 PolarHBondContact O-N 3Å; T93-A133 HydrophobicContact CG2-CB 3.68Å
94S65Low68.7Low77 Ų7769.9 Ų69.954%0.53836%0.357SS..Hα-helixtrans-68-32.2177.8-60.50000112.5S90 D91 L92S90-S94 VanDerWaalsContact O-CB 3.26Å; S90-S94 WeakPolarHBondContact O-CB 3.38Å; S90-S94 PolarHBondContact O-N 2.79Å; S90-S94 PolarHBondContact O-OG 3.48Å; D91-S94 PolarHBondContact O-N 3.07Å; L92-S94 VanDerWaalsContact C-N 3.34Å; L92-S94 PolarHBondContact O-N 3.12Å
95Q58.8Low69.5Low87 Ų8770.4 Ų70.441%0.40737%0.365SS..Hα-helixtrans-87.4-20-179.8-70.8-178.586.500113.8D91 L92 T93 H97 W203D91-Q95 WeakPolarHBondContact O-CB 3.39Å; D91-Q95 VanDerWaalsContact O-CG 3.25Å; D91-Q95 WeakPolarHBondContact O-CG 3.23Å; D91-Q95 PolarHBondContact O-N 3.08Å; D91-Q95 VanDerWaalsContact O-N 3.14Å; D91-Q95 PolarHBondContact O-NE2 2.94Å; D91-Q95 VanDerWaalsContact O-NE2 3.13Å; L92-Q95 PolarHBondContact O-N 2.89Å; T93-Q95 VanDerWaalsContact C-N 3.32Å; T93-Q95 PolarHBondContact O-N 3Å; Q95-H97 VanDerWaalsContact C-N 3.33Å; Q95-H97 PolarHBondContact O-CD2 3.28Å; Q95-H97 PolarHBondContact O-N 3.16Å; Q95-W203 VanDerWaalsContact CD-CZ3 3.5Å; Q95-W203 VanDerWaalsContact NE2-CZ3 3.32Å
96L63.7Low70.2Confident17 Ų1769.6 Ų69.69%0.08937%0.365CS..  trans-6893.9170.3-103.294.5000110.6L92 I98 V110 F130 L134L92-L96 HydrophobicContact CD1-CD1 3.95Å; L92-L96 HydrophobicContact CG-CD1 4.11Å; L92-L96 VanDerWaalsContact O-CD1 3.3Å; L92-L96 WeakPolarHBondContact O-CD1 3.48Å; L92-L96 PolarHBondContact O-N 3.01Å; L92-L96 VanDerWaalsContact O-N 3.07Å; L96-I98 HydrophobicContact CB-CG1 4.19Å; L96-I98 HydrophobicContact CD2-CD1 3.71Å; L96-I98 HydrophobicContact CD2-CG1 3.76Å; L96-I98 HydrophobicContact CG-CG1 4.47Å; L96-I98 PolarHBondContact O-N 3.11Å; L96-V110 HydrophobicContact CD1-CG2 4.38Å; L96-F130 HydrophobicContact CD1-CE2 4.23Å; L96-F130 HydrophobicContact CD2-CE2 4.18Å; L96-F130 HydrophobicContact CD2-CZ 4.08Å; L96-L134 HydrophobicContact CD2-CD2 3.82Å
97H65.1Low71.1Confident157 Ų15762.5 Ų62.573%0.72734%0.339SS*.  trans-68.658.7163.5-68.8-72000111.1Q95 T99 T102Q95-H97 VanDerWaalsContact C-N 3.33Å; Q95-H97 PolarHBondContact O-CD2 3.28Å; Q95-H97 PolarHBondContact O-N 3.16Å; H97-T99 PolarHBondContact O-N 3.32Å; H97-T102 PolarHBondContact O-OG1 3.43Å
98I67.3Low72Confident8 Ų856.1 Ų56.14%0.04132%0.318CS..  trans-62125.3170.3-74.4-175.6000108.8L96 A103 L134 M143 L146L96-I98 HydrophobicContact CB-CG1 4.19Å; L96-I98 HydrophobicContact CD2-CD1 3.71Å; L96-I98 HydrophobicContact CD2-CG1 3.76Å; L96-I98 HydrophobicContact CG-CG1 4.47Å; L96-I98 PolarHBondContact O-N 3.11Å; I98-A103 HydrophobicContact CG2-CB 3.94Å; I98-L134 HydrophobicContact CD1-CB 4.32Å; I98-L134 HydrophobicContact CD1-CD1 3.92Å; I98-L134 HydrophobicContact CD1-CD2 3.75Å; I98-L134 HydrophobicContact CD1-CG 4.19Å; I98-M143 HydrophobicContact CG2-CE 3.88Å; I98-M143 WeakPolarHBondContact O-CE 3.49Å; I98-L146 HydrophobicContact CG2-CD1 3.53Å
99T73.3Confident72.9Confident67 Ų6761.7 Ų61.741%0.41134%0.341SS..  trans-126.2163.3162.572.80000107.9H97 G101 T102 A103H97-T99 PolarHBondContact O-N 3.32Å; T99-G101 PolarHBondContact O-N 3.05Å; T99-T102 PolarHBondContact N-OG1 3.18Å; T99-T102 PolarHBondContact O-N 2.88Å; T99-T102 PolarHBondContact O-OG1 2.91Å; T99-T102 PolarHBondContact OG1-N 3.12Å; T99-T102 PolarHBondContact OG1-OG1 3.38Å; T99-A103 WeakPolarHBondContact O-CB 3.05Å; T99-A103 PolarHBondContact O-N 3.49Å
100P75.1Confident73.7Confident70 Ų7062.8 Ų62.846%0.45535%0.348SS..THydrogen-bonded Turntrans-64-17-177.7-23.336000115M143 L146P100-M143 HydrophobicContact CG-CG 4.4Å; P100-M143 HydrophobicContact CG-SD 3.82Å; P100-L146 HydrophobicContact CB-CD2 4.37Å
101G77.6Confident74.7Confident70 Ų7059.9 Ų59.972%0.72233%0.328SS*.THydrogen-bonded Turntrans-90.6-24.8174.200000114.6T99T99-G101 PolarHBondContact O-N 3.05Å
102T80.3Confident75.7Confident49 Ų4959.8 Ų59.830%0.30133%0.327SS..THydrogen-bonded Turntrans-103.1-17.5-177.354.90000113.8H97 T99 Y104 Q105 S106H97-T102 PolarHBondContact O-OG1 3.43Å; T99-T102 PolarHBondContact N-OG1 3.18Å; T99-T102 PolarHBondContact O-N 2.88Å; T99-T102 PolarHBondContact O-OG1 2.91Å; T99-T102 PolarHBondContact OG1-N 3.12Å; T99-T102 PolarHBondContact OG1-OG1 3.38Å; T102-Y104 VanDerWaalsContact C-N 3.33Å; T102-Y104 PolarHBondContact O-N 2.97Å; T102-Y104 VanDerWaalsContact O-N 3.16Å; T102-Q105 PolarHBondContact O-N 2.85Å; T102-Q105 VanDerWaalsContact O-N 3.13Å; T102-S106 PolarHBondContact O-N 3.5Å; T102-S106 PolarHBondContact O-OG 3.07Å
103A81.8Confident76.6Confident1 Ų161.7 Ų61.71%0.00834%0.336CS..Hα-helixtrans-49.7-43.8-172.700000115I98 T99 F107 L146 W153I98-A103 HydrophobicContact CG2-CB 3.94Å; T99-A103 WeakPolarHBondContact O-CB 3.05Å; T99-A103 PolarHBondContact O-N 3.49Å; A103-F107 WeakPolarHBondContact O-CB 3.29Å; A103-F107 PolarHBondContact O-N 2.96Å; A103-L146 HydrophobicContact CB-CD1 4.07Å; A103-L146 HydrophobicContact CB-CD2 3.96Å; A103-W153 HydrophobicContact CB-CH2 3.75Å; A103-W153 HydrophobicContact CB-CZ3 3.9Å
104Y84.9Confident77.4Confident109 Ų10961.8 Ų61.843%0.42734%0.336SS..Hα-helixtrans-67.2-47.2-179.7177.9-100.4000111.9T102 S106 F107 E108 W153T102-Y104 VanDerWaalsContact C-N 3.33Å; T102-Y104 PolarHBondContact O-N 2.97Å; T102-Y104 VanDerWaalsContact O-N 3.16Å; Y104-S106 PolarHBondContact O-N 2.84Å; Y104-F107 WeakPolarHBondContact O-CB 3.34Å; Y104-F107 PolarHBondContact O-N 3.02Å; Y104-E108 HydrophobicContact CE1-CB 4.45Å; Y104-E108 WeakPolarHBondContact O-CB 3.19Å; Y104-E108 PolarHBondContact O-N 3.26Å; Y104-E108 PolarHBondContact OH-OE1 3.45Å; Y104-W153 AromaticContact CD2-CD1 3.84Å; Y104-W153 AromaticContact CD2-CD2 3.76Å; Y104-W153 HydrophobicContact CD2-CD2 3.76Å; Y104-W153 AromaticContact CD2-CE2 3.61Å; Y104-W153 HydrophobicContact CD2-CE3 4.36Å; Y104-W153 AromaticContact CD2-CG 3.93Å; Y104-W153 HydrophobicContact CD2-CG 3.93Å; Y104-W153 HydrophobicContact CD2-CZ2 4.12Å; Y104-W153 AromaticContact CD2-NE1 3.64Å; Y104-W153 HydrophobicContact CE2-CG 4.28Å; Y104-W153 HydrophobicContact CG-CZ2 4.41Å
105Q83.8Confident78.5Confident130 Ų13058.9 Ų58.961%0.60731%0.313SS*.Hα-helixtrans-63.5-41.9179.4-68.4179-29.100111.4T102 F107 E108 Q109T102-Q105 PolarHBondContact O-N 2.85Å; T102-Q105 VanDerWaalsContact O-N 3.13Å; Q105-F107 VanDerWaalsContact C-N 3.35Å; Q105-F107 PolarHBondContact O-N 2.81Å; Q105-E108 PolarHBondContact O-N 2.71Å; Q105-Q109 VanDerWaalsContact O-CB 3.31Å; Q105-Q109 WeakPolarHBondContact O-CB 3.39Å; Q105-Q109 PolarHBondContact O-N 3.13Å
106S80.9Confident79.9Confident27 Ų2762.6 Ų62.619%0.18932%0.323CS..Hα-helixtrans-63.5-39.3175.2-54.50000112.3T102 Y104 V110T102-S106 PolarHBondContact O-N 3.5Å; T102-S106 PolarHBondContact O-OG 3.07Å; Y104-S106 PolarHBondContact O-N 2.84Å; S106-V110 VanDerWaalsContact O-CG2 3.29Å; S106-V110 WeakPolarHBondContact O-CG2 3.4Å; S106-V110 PolarHBondContact O-N 3.26Å
107F85Confident80.9Confident5 Ų567.1 Ų67.12%0.02235%0.348CS..Hα-helixtrans-64.4-52.6174.1171.8-93.4000111.4A103 Y104 Q105 Q109 V110 V111 F127 F130 L134 W153 M154A103-F107 WeakPolarHBondContact O-CB 3.29Å; A103-F107 PolarHBondContact O-N 2.96Å; Y104-F107 WeakPolarHBondContact O-CB 3.34Å; Y104-F107 PolarHBondContact O-N 3.02Å; Q105-F107 VanDerWaalsContact C-N 3.35Å; Q105-F107 PolarHBondContact O-N 2.81Å; F107-Q109 PolarHBondContact O-N 2.9Å; F107-V110 PolarHBondContact O-N 3.38Å; F107-V111 HydrophobicContact CD1-CG2 4.47Å; F107-V111 HydrophobicContact CD2-CG2 4.06Å; F107-V111 HydrophobicContact CE1-CG2 4.24Å; F107-V111 HydrophobicContact CE2-CG2 3.81Å; F107-V111 HydrophobicContact CG-CG2 4.39Å; F107-V111 HydrophobicContact CZ-CG2 3.9Å; F107-V111 WeakPolarHBondContact O-CB 3.35Å; F107-V111 VanDerWaalsContact O-CG2 3.23Å; F107-V111 WeakPolarHBondContact O-CG2 3.45Å; F107-V111 PolarHBondContact O-N 2.83Å; F107-F127 HydrophobicContact CE2-CE2 4.22Å; F107-F127 AromaticContact CZ-CE2 3.83Å; F107-F127 HydrophobicContact CZ-CE2 3.83Å; F107-F127 HydrophobicContact CZ-CZ 4.34Å; F107-F130 AromaticContact CD2-CE1 3.96Å; F107-F130 HydrophobicContact CD2-CE1 3.96Å; F107-L134 HydrophobicContact CD2-CD1 4.16Å; F107-W153 HydrophobicContact CB-CE3 4.26Å; F107-W153 HydrophobicContact CD1-CB 4Å; F107-W153 HydrophobicContact CD1-CE3 4.44Å; F107-W153 HydrophobicContact CE1-CB 3.66Å; F107-W153 HydrophobicContact CG-CE3 4.26Å; F107-W153 HydrophobicContact CZ-CB 4.06Å; F107-M154 HydrophobicContact CE2-CG 3.74Å; F107-M154 HydrophobicContact CZ-CG 3.93Å
108E85.7Confident82.1Confident78 Ų7861.2 Ų61.236%0.36433%0.33SS..Hα-helixtrans-58.2-45.5-178.9-179.2173.6-116.900111.9Y104 Q105 V111 N112Y104-E108 HydrophobicContact CE1-CB 4.45Å; Y104-E108 WeakPolarHBondContact O-CB 3.19Å; Y104-E108 PolarHBondContact O-N 3.26Å; Y104-E108 PolarHBondContact OH-OE1 3.45Å; Q105-E108 PolarHBondContact O-N 2.71Å; E108-V111 PolarHBondContact O-N 3.07Å; E108-N112 VanDerWaalsContact O-CB 3.26Å; E108-N112 WeakPolarHBondContact O-CB 3.41Å; E108-N112 PolarHBondContact O-N 2.9Å; E108-N112 PolarHBondContact O-ND2 3.05Å; E108-N112 VanDerWaalsContact O-ND2 3.16Å
109Q81.9Confident83Confident139 Ų13962.4 Ų62.465%0.6534%0.337SS*.Hα-helixtrans-60.5-50.9177.6-176.7-179.7-6.900112.2Q105 F107 V111 N112 E113Q105-Q109 VanDerWaalsContact O-CB 3.31Å; Q105-Q109 WeakPolarHBondContact O-CB 3.39Å; Q105-Q109 PolarHBondContact O-N 3.13Å; F107-Q109 PolarHBondContact O-N 2.9Å; Q109-V111 VanDerWaalsContact C-N 3.35Å; Q109-V111 PolarHBondContact O-N 3.47Å; Q109-N112 PolarHBondContact O-N 3.03Å; Q109-E113 PolarHBondContact O-N 3.39Å; Q109-E113 VanDerWaalsContact O-N 3.09Å
110V81.5Confident83.5Confident39 Ų3961.5 Ų61.524%0.23633%0.33CS..Hα-helixtrans-64.9-40.2-178.3173.10000111.4L96 S106 F107 L114 F130L96-V110 HydrophobicContact CD1-CG2 4.38Å; S106-V110 VanDerWaalsContact O-CG2 3.29Å; S106-V110 WeakPolarHBondContact O-CG2 3.4Å; S106-V110 PolarHBondContact O-N 3.26Å; F107-V110 PolarHBondContact O-N 3.38Å; V110-L114 VanDerWaalsContact O-CB 3.29Å; V110-L114 WeakPolarHBondContact O-CB 3.29Å; V110-L114 PolarHBondContact O-N 3.41Å; V110-F130 HydrophobicContact CB-CE1 3.97Å; V110-F130 HydrophobicContact CB-CE2 4.29Å; V110-F130 HydrophobicContact CB-CZ 3.63Å; V110-F130 HydrophobicContact CG1-CD1 4.23Å; V110-F130 HydrophobicContact CG1-CD2 4.19Å; V110-F130 HydrophobicContact CG1-CE1 3.75Å; V110-F130 HydrophobicContact CG1-CE2 3.71Å; V110-F130 HydrophobicContact CG1-CG 4.43Å; V110-F130 HydrophobicContact CG1-CZ 3.47Å; V110-F130 VanDerWaalsContact CG1-CZ 3.47Å; V110-F130 HydrophobicContact CG2-CE2 4.43Å; V110-F130 HydrophobicContact CG2-CZ 3.98Å
111V85.8Confident83.7Confident0 Ų060 Ų600%032%0.315CS..Hα-helixtrans-71.4-38.4-179.3176.10000111.3F107 E108 Q109 L114 F115 F127 F130 Y157F107-V111 HydrophobicContact CD1-CG2 4.47Å; F107-V111 HydrophobicContact CD2-CG2 4.06Å; F107-V111 HydrophobicContact CE1-CG2 4.24Å; F107-V111 HydrophobicContact CE2-CG2 3.81Å; F107-V111 HydrophobicContact CG-CG2 4.39Å; F107-V111 HydrophobicContact CZ-CG2 3.9Å; F107-V111 WeakPolarHBondContact O-CB 3.35Å; F107-V111 VanDerWaalsContact O-CG2 3.23Å; F107-V111 WeakPolarHBondContact O-CG2 3.45Å; F107-V111 PolarHBondContact O-N 2.83Å; E108-V111 PolarHBondContact O-N 3.07Å; Q109-V111 VanDerWaalsContact C-N 3.35Å; Q109-V111 PolarHBondContact O-N 3.47Å; V111-L114 PolarHBondContact O-N 3.34Å; V111-F115 HydrophobicContact CG1-CD2 3.86Å; V111-F115 HydrophobicContact CG1-CE2 3.97Å; V111-F115 VanDerWaalsContact O-CD2 3.29Å; V111-F115 WeakPolarHBondContact O-CD2 3.42Å; V111-F115 PolarHBondContact O-N 3.44Å; V111-F127 HydrophobicContact CG1-CD2 3.84Å; V111-F127 HydrophobicContact CG1-CE2 3.79Å; V111-F127 HydrophobicContact CG2-CD2 3.83Å; V111-F127 HydrophobicContact CG2-CE2 3.91Å; V111-F130 HydrophobicContact CG2-CD1 4.21Å; V111-F130 HydrophobicContact CG2-CE1 4.08Å; V111-Y157 HydrophobicContact CG1-CD1 3.67Å; V111-Y157 HydrophobicContact CG1-CD2 3.83Å; V111-Y157 HydrophobicContact CG1-CE1 3.39Å; V111-Y157 HydrophobicContact CG1-CE2 3.56Å; V111-Y157 HydrophobicContact CG1-CG 3.9Å
112N85.4Confident83.7Confident80 Ų8057.1 Ų57.143%0.42829%0.286SS..Hα-helixtrans-63.8-41.5174.8-75.1-25.3000112.2E108 Q109 F115 R116E108-N112 VanDerWaalsContact O-CB 3.26Å; E108-N112 WeakPolarHBondContact O-CB 3.41Å; E108-N112 PolarHBondContact O-N 2.9Å; E108-N112 PolarHBondContact O-ND2 3.05Å; E108-N112 VanDerWaalsContact O-ND2 3.16Å; Q109-N112 PolarHBondContact O-N 3.03Å; N112-F115 PolarHBondContact O-N 2.9Å; N112-R116 PolarHBondContact O-N 3.34Å
113E80.8Confident83.9Confident65 Ų6555.9 Ų55.930%0.30428%0.275SS..Hα-helixtrans-67.8-42.2175.6-16659.9-15100111.4Q109 F115 R116Q109-E113 PolarHBondContact O-N 3.39Å; Q109-E113 VanDerWaalsContact O-N 3.09Å; E113-F115 PolarHBondContact O-N 3.34Å; E113-F115 VanDerWaalsContact O-N 3.12Å; E113-R116 VanDerWaalsContact O-CB 3.29Å; E113-R116 WeakPolarHBondContact O-CB 3.49Å; E113-R116 PolarHBondContact O-N 3.06Å; E113-R116 VanDerWaalsContact O-N 3.11Å; E113-R116 WeakPolarHBondContact OE1-CD 3.39Å; E113-R116 IonicContact OE1-CZ 3.68Å; E113-R116 IonicContact OE1-NE 3.84Å; E113-R116 IonicContact OE1-NH1 2.74Å; E113-R116 PolarHBondContact OE1-NH1 3.47Å; E113-R116 WeakPolarHBondContact OE2-CD 3.36Å; E113-R116 IonicContact OE2-NH1 3.49Å; E113-R116 PolarHBondContact OE2-NH1 3.33Å
114L82.2Confident84Confident23 Ų2355.9 Ų55.912%0.1228%0.275CS..Hα-helixtrans-54.4-34.4176.9177.162.4000112.8V110 V111 R123 A126 F127 V197V110-L114 VanDerWaalsContact O-CB 3.29Å; V110-L114 WeakPolarHBondContact O-CB 3.29Å; V110-L114 PolarHBondContact O-N 3.41Å; V111-L114 PolarHBondContact O-N 3.34Å; L114-R123 HydrophobicContact CD1-CB 4.28Å; L114-R123 HydrophobicContact CD1-CG 4.14Å; L114-R123 HydrophobicContact CG-CB 4.4Å; L114-R123 WeakPolarHBondContact O-CD 3.45Å; L114-R123 PolarHBondContact O-NE 3.13Å; L114-R123 VanDerWaalsContact O-NE 3.07Å; L114-A126 HydrophobicContact CD1-CB 4Å; L114-A126 HydrophobicContact CD2-CB 4.22Å; L114-F127 HydrophobicContact CD2-CB 3.89Å; L114-V197 HydrophobicContact CD1-CG1 4.36Å; L114-V197 HydrophobicContact CD1-CG2 4.01Å
115F86.8Confident83.9Confident15 Ų1551.1 Ų51.17%0.06626%0.257CS..THydrogen-bonded Turntrans-105.97.4-179.1-66.9-66.8000114.7V111 N112 E113 D117 G118 V119 R123 I124 F127 Y157 L162V111-F115 HydrophobicContact CG1-CD2 3.86Å; V111-F115 HydrophobicContact CG1-CE2 3.97Å; V111-F115 VanDerWaalsContact O-CD2 3.29Å; V111-F115 WeakPolarHBondContact O-CD2 3.42Å; V111-F115 PolarHBondContact O-N 3.44Å; N112-F115 PolarHBondContact O-N 2.9Å; E113-F115 PolarHBondContact O-N 3.34Å; E113-F115 VanDerWaalsContact O-N 3.12Å; F115-D117 PolarHBondContact O-N 2.73Å; F115-G118 WeakPolarHBondContact O-CA 3.4Å; F115-G118 PolarHBondContact O-N 2.99Å; F115-V119 HydrophobicContact CD1-CB 4.35Å; F115-V119 HydrophobicContact CD1-CG1 4.34Å; F115-V119 HydrophobicContact CD1-CG2 3.99Å; F115-V119 HydrophobicContact CE1-CG1 4.15Å; F115-R123 HydrophobicContact CD1-CB 3.88Å; F115-R123 HydrophobicContact CE1-CB 3.45Å; F115-R123 VanDerWaalsContact CE1-CB 3.45Å; F115-R123 HydrophobicContact CZ-CB 4.25Å; F115-I124 HydrophobicContact CE1-CG1 4.27Å; F115-I124 HydrophobicContact CZ-CG1 4.48Å; F115-F127 HydrophobicContact CE2-CB 3.99Å; F115-F127 HydrophobicContact CE2-CD2 4.01Å; F115-F127 HydrophobicContact CE2-CG 4.16Å; F115-F127 HydrophobicContact CZ-CB 3.86Å; F115-F127 HydrophobicContact CZ-CG 4.34Å; F115-Y157 AromaticContact CD2-CE1 3.68Å; F115-Y157 HydrophobicContact CD2-CE1 3.68Å; F115-Y157 AromaticContact CE2-CE1 3.85Å; F115-Y157 HydrophobicContact CE2-CE1 3.85Å; F115-L162 HydrophobicContact CD1-CD2 4.08Å; F115-L162 HydrophobicContact CD2-CD2 4.23Å; F115-L162 HydrophobicContact CE1-CD2 3.71Å; F115-L162 HydrophobicContact CE2-CD1 4.18Å; F115-L162 HydrophobicContact CE2-CD2 3.9Å; F115-L162 HydrophobicContact CG-CD2 4.33Å; F115-L162 HydrophobicContact CZ-CD1 3.92Å; F115-L162 HydrophobicContact CZ-CD2 3.63Å; F115-L162 HydrophobicContact CZ-CG 4.44Å
116R88.7Confident83.8Confident166 Ų16645 Ų4563%0.62623%0.229SC*.THydrogen-bonded Turntrans-53-48.4-174.8-179.7178.1174.6-174.40.5114.2N112 E113 G118N112-R116 PolarHBondContact O-N 3.34Å; E113-R116 VanDerWaalsContact O-CB 3.29Å; E113-R116 WeakPolarHBondContact O-CB 3.49Å; E113-R116 PolarHBondContact O-N 3.06Å; E113-R116 VanDerWaalsContact O-N 3.11Å; E113-R116 WeakPolarHBondContact OE1-CD 3.39Å; E113-R116 IonicContact OE1-CZ 3.68Å; E113-R116 IonicContact OE1-NE 3.84Å; E113-R116 IonicContact OE1-NH1 2.74Å; E113-R116 PolarHBondContact OE1-NH1 3.47Å; E113-R116 WeakPolarHBondContact OE2-CD 3.36Å; E113-R116 IonicContact OE2-NH1 3.49Å; E113-R116 PolarHBondContact OE2-NH1 3.33Å; R116-G118 PolarHBondContact O-N 2.87Å
117D85.9Confident84.1Confident111 Ų11143.7 Ų43.759%0.59422%0.22SC*.THydrogen-bonded Turntrans-85.417.8177.6-31-75.8000113.3F115 R123F115-D117 PolarHBondContact O-N 2.73Å; D117-R123 IonicContact OD2-CZ 3.6Å; D117-R123 IonicContact OD2-NH1 2.71Å; D117-R123 PolarHBondContact OD2-NH1 2.85Å; D117-R123 IonicContact OD2-NH2 3.56Å; D117-R123 PolarHBondContact OD2-NH2 3.46Å
118G88.7Confident84.2Confident34 Ų3446.5 Ų46.535%0.35123%0.232SC..  trans100.2170.3-179.900000114.9F115 R116 R123F115-G118 WeakPolarHBondContact O-CA 3.4Å; F115-G118 PolarHBondContact O-N 2.99Å; R116-G118 PolarHBondContact O-N 2.87Å; G118-R123 WeakPolarHBondContact O-CD 3.27Å; G118-R123 PolarHBondContact O-NH1 3.36Å
119V87Confident84Confident32 Ų3243 Ų4319%0.19422%0.216CC..  trans-87.1139.5-175.1-175.40000110.8F115 I124 L162 W165F115-V119 HydrophobicContact CD1-CB 4.35Å; F115-V119 HydrophobicContact CD1-CG1 4.34Å; F115-V119 HydrophobicContact CD1-CG2 3.99Å; F115-V119 HydrophobicContact CE1-CG1 4.15Å; V119-I124 HydrophobicContact CG1-CD1 3.79Å; V119-I124 HydrophobicContact CG1-CG1 3.95Å; V119-L162 HydrophobicContact CG1-CD2 3.9Å; V119-L162 HydrophobicContact CG2-CD2 3.87Å; V119-W165 HydrophobicContact CB-CB 4.16Å; V119-W165 HydrophobicContact CB-CD2 3.8Å; V119-W165 HydrophobicContact CB-CE3 4.38Å; V119-W165 HydrophobicContact CB-CG 3.66Å; V119-W165 HydrophobicContact CG1-CB 4.17Å; V119-W165 HydrophobicContact CG1-CD2 3.51Å; V119-W165 HydrophobicContact CG1-CE3 3.58Å; V119-W165 HydrophobicContact CG1-CG 3.77Å; V119-W165 HydrophobicContact CG1-CZ3 4.28Å; V119-W165 HydrophobicContact CG2-CB 4.49Å; V119-W165 HydrophobicContact CG2-CG 4.45Å; V119-W165 VanDerWaalsContact O-CE2 3.27Å; V119-W165 WeakPolarHBondContact O-CZ2 3.41Å; V119-W165 PolarHBondContact O-NE1 2.91Å
120N83.2Confident84.1Confident49 Ų4936.6 Ų36.626%0.26219%0.186SC..  trans-149.3161.1163.368.368.2000110.4G122 R123 I124 W165N120-G122 PolarHBondContact O-N 3.34Å; N120-G122 VanDerWaalsContact O-N 3.15Å; N120-G122 WeakPolarHBondContact OD1-CA 3.39Å; N120-G122 PolarHBondContact OD1-N 2.93Å; N120-R123 WeakPolarHBondContact ND2-CD 3.41Å; N120-R123 PolarHBondContact O-N 3.01Å; N120-R123 PolarHBondContact OD1-N 3.17Å; N120-I124 WeakPolarHBondContact O-CG1 3.39Å; N120-I124 PolarHBondContact O-N 3.28Å; N120-W165 HydrophobicContact CB-CZ2 4.47Å
121W80.5Confident84.3Confident38 Ų3834.7 Ų34.714%0.14418%0.175CC..Hα-helixtrans-55.9-30.2-179.3-70.4119000115.1I124 V125 W165 I166 W172 L187W121-I124 HydrophobicContact CD2-CD1 4.45Å; W121-I124 HydrophobicContact CE3-CD1 3.81Å; W121-I124 HydrophobicContact CZ3-CD1 4.14Å; W121-V125 WeakPolarHBondContact O-CG2 3.23Å; W121-V125 PolarHBondContact O-N 2.92Å; W121-V125 VanDerWaalsContact O-N 3.11Å; W121-W165 AromaticContact CD1-CH2 3.65Å; W121-W165 HydrophobicContact CD2-CH2 4.14Å; W121-W165 AromaticContact CD2-CZ3 3.8Å; W121-W165 HydrophobicContact CD2-CZ3 3.8Å; W121-W165 AromaticContact CE2-CZ3 3.72Å; W121-W165 HydrophobicContact CE3-CZ3 4.31Å; W121-W165 AromaticContact CG-CH2 3.92Å; W121-W165 HydrophobicContact CG-CH2 3.92Å; W121-W165 HydrophobicContact CG-CZ3 4.05Å; W121-W165 HydrophobicContact CZ2-CZ3 4.19Å; W121-W165 AromaticContact NE1-CH2 3.68Å; W121-W165 AromaticContact NE1-CZ3 3.87Å; W121-I166 HydrophobicContact CH2-CB 4.39Å; W121-I166 HydrophobicContact CH2-CG1 4.1Å; W121-I166 HydrophobicContact CH2-CG2 3.86Å; W121-I166 HydrophobicContact CZ3-CG1 4.13Å; W121-W172 HydrophobicContact CH2-CE3 4.33Å; W121-W172 AromaticContact CZ3-CE3 3.98Å; W121-W172 HydrophobicContact CZ3-CE3 3.98Å; W121-W172 HydrophobicContact CZ3-CH2 4.32Å; W121-W172 AromaticContact CZ3-CZ3 3.77Å; W121-W172 HydrophobicContact CZ3-CZ3 3.77Å; W121-L187 HydrophobicContact CB-CD1 3.26Å; W121-L187 HydrophobicContact CB-CD2 3.98Å; W121-L187 HydrophobicContact CB-CG 4.26Å; W121-L187 HydrophobicContact CG-CD1 4.02Å
122G77.4Confident84.3Confident10 Ų1036.3 Ų36.310%0.10319%0.191CC..Hα-helixtrans-68.6-44.3174.800000112.1N120 I124 V125 A126N120-G122 PolarHBondContact O-N 3.34Å; N120-G122 VanDerWaalsContact O-N 3.15Å; N120-G122 WeakPolarHBondContact OD1-CA 3.39Å; N120-G122 PolarHBondContact OD1-N 2.93Å; G122-I124 VanDerWaalsContact C-N 3.34Å; G122-V125 PolarHBondContact O-N 3.22Å; G122-A126 PolarHBondContact O-N 3.35Å
123R84.3Confident84.1Confident23 Ų2333.5 Ų33.59%0.08718%0.179CC..Hα-helixtrans-64.7-35.7173.2-69.7175.1164.2-172.5-9112.1L114 F115 D117 G118 N120 A126 F127L114-R123 HydrophobicContact CD1-CB 4.28Å; L114-R123 HydrophobicContact CD1-CG 4.14Å; L114-R123 HydrophobicContact CG-CB 4.4Å; L114-R123 WeakPolarHBondContact O-CD 3.45Å; L114-R123 PolarHBondContact O-NE 3.13Å; L114-R123 VanDerWaalsContact O-NE 3.07Å; F115-R123 HydrophobicContact CD1-CB 3.88Å; F115-R123 HydrophobicContact CE1-CB 3.45Å; F115-R123 VanDerWaalsContact CE1-CB 3.45Å; F115-R123 HydrophobicContact CZ-CB 4.25Å; D117-R123 IonicContact OD2-CZ 3.6Å; D117-R123 IonicContact OD2-NH1 2.71Å; D117-R123 PolarHBondContact OD2-NH1 2.85Å; D117-R123 IonicContact OD2-NH2 3.56Å; D117-R123 PolarHBondContact OD2-NH2 3.46Å; G118-R123 WeakPolarHBondContact O-CD 3.27Å; G118-R123 PolarHBondContact O-NH1 3.36Å; N120-R123 WeakPolarHBondContact ND2-CD 3.41Å; N120-R123 PolarHBondContact O-N 3.01Å; N120-R123 PolarHBondContact OD1-N 3.17Å; R123-A126 WeakPolarHBondContact O-CB 3.38Å; R123-A126 PolarHBondContact O-N 3.24Å; R123-F127 WeakPolarHBondContact O-CB 3.41Å; R123-F127 PolarHBondContact O-N 3.49Å
124I84.5Confident84.2Confident1 Ų130.5 Ų30.51%0.00517%0.165CC..Hα-helixtrans-62.4-42.9173.1-66.4168.8000111.4F115 V119 N120 W121 G122 F127 F128 L162 W165 I166 W172F115-I124 HydrophobicContact CE1-CG1 4.27Å; F115-I124 HydrophobicContact CZ-CG1 4.48Å; V119-I124 HydrophobicContact CG1-CD1 3.79Å; V119-I124 HydrophobicContact CG1-CG1 3.95Å; N120-I124 WeakPolarHBondContact O-CG1 3.39Å; N120-I124 PolarHBondContact O-N 3.28Å; W121-I124 HydrophobicContact CD2-CD1 4.45Å; W121-I124 HydrophobicContact CE3-CD1 3.81Å; W121-I124 HydrophobicContact CZ3-CD1 4.14Å; G122-I124 VanDerWaalsContact C-N 3.34Å; I124-F127 WeakPolarHBondContact O-CB 3.37Å; I124-F127 PolarHBondContact O-N 3.27Å; I124-F128 HydrophobicContact CG2-CD2 4.11Å; I124-F128 HydrophobicContact CG2-CE2 3.87Å; I124-F128 WeakPolarHBondContact O-CD2 3.4Å; I124-F128 PolarHBondContact O-N 2.89Å; I124-L162 HydrophobicContact CG1-CD1 4.46Å; I124-W165 HydrophobicContact CD1-CE3 3.77Å; I124-W165 HydrophobicContact CD1-CZ3 3.65Å; I124-I166 HydrophobicContact CD1-CD1 4.19Å; I124-I166 HydrophobicContact CD1-CG1 3.82Å; I124-W172 HydrophobicContact CG2-CH2 4.06Å
125V82.1Confident84.4Confident8 Ų829.9 Ų29.95%0.04816%0.162CC..Hα-helixtrans-64.2-43.5173.6173.50000111.2A77 F81 W121 G122 F127 F128 S129 F184A77-V125 HydrophobicContact CB-CG1 4.08Å; A77-V125 HydrophobicContact CB-CG2 3.86Å; F81-V125 HydrophobicContact CB-CG1 3.85Å; F81-V125 HydrophobicContact CD1-CG1 4.44Å; F81-V125 HydrophobicContact CD2-CG1 4.17Å; F81-V125 HydrophobicContact CG-CG1 3.92Å; W121-V125 WeakPolarHBondContact O-CG2 3.23Å; W121-V125 PolarHBondContact O-N 2.92Å; W121-V125 VanDerWaalsContact O-N 3.11Å; G122-V125 PolarHBondContact O-N 3.22Å; V125-F127 VanDerWaalsContact C-N 3.29Å; V125-F127 PolarHBondContact O-N 3.19Å; V125-F128 PolarHBondContact O-N 3.32Å; V125-F128 VanDerWaalsContact O-N 3.14Å; V125-S129 PolarHBondContact O-N 2.89Å; V125-F184 HydrophobicContact CG2-CD1 4.28Å; V125-F184 HydrophobicContact CG2-CE1 3.47Å; V125-F184 VanDerWaalsContact CG2-CE1 3.47Å; V125-F184 HydrophobicContact CG2-CZ 4.13Å
126A80.9Confident84.3Confident1 Ų130.1 Ų30.11%0.00817%0.165CC..Hα-helixtrans-57.5-41.6177.200000112.5F81 L114 G122 R123 S129 F130 V197F81-A126 HydrophobicContact CE1-CB 3.84Å; F81-A126 HydrophobicContact CE2-CB 4.09Å; F81-A126 HydrophobicContact CZ-CB 3.38Å; L114-A126 HydrophobicContact CD1-CB 4Å; L114-A126 HydrophobicContact CD2-CB 4.22Å; G122-A126 PolarHBondContact O-N 3.35Å; R123-A126 WeakPolarHBondContact O-CB 3.38Å; R123-A126 PolarHBondContact O-N 3.24Å; A126-S129 PolarHBondContact O-N 2.9Å; A126-F130 VanDerWaalsContact O-CB 3.29Å; A126-F130 WeakPolarHBondContact O-CB 3.37Å; A126-F130 PolarHBondContact O-N 3.43Å; A126-V197 HydrophobicContact CB-CG1 4.06Å
127F87.5Confident84Confident0 Ų024 Ų240%014%0.144CC..Hα-helixtrans-59.4-45.3174.4168.8-100.5000112.5F107 V111 L114 F115 R123 I124 V125 F130 G131 M154 Y157 L162F107-F127 HydrophobicContact CE2-CE2 4.22Å; F107-F127 AromaticContact CZ-CE2 3.83Å; F107-F127 HydrophobicContact CZ-CE2 3.83Å; F107-F127 HydrophobicContact CZ-CZ 4.34Å; V111-F127 HydrophobicContact CG1-CD2 3.84Å; V111-F127 HydrophobicContact CG1-CE2 3.79Å; V111-F127 HydrophobicContact CG2-CD2 3.83Å; V111-F127 HydrophobicContact CG2-CE2 3.91Å; L114-F127 HydrophobicContact CD2-CB 3.89Å; F115-F127 HydrophobicContact CE2-CB 3.99Å; F115-F127 HydrophobicContact CE2-CD2 4.01Å; F115-F127 HydrophobicContact CE2-CG 4.16Å; F115-F127 HydrophobicContact CZ-CB 3.86Å; F115-F127 HydrophobicContact CZ-CG 4.34Å; R123-F127 WeakPolarHBondContact O-CB 3.41Å; R123-F127 PolarHBondContact O-N 3.49Å; I124-F127 WeakPolarHBondContact O-CB 3.37Å; I124-F127 PolarHBondContact O-N 3.27Å; V125-F127 VanDerWaalsContact C-N 3.29Å; V125-F127 PolarHBondContact O-N 3.19Å; F127-F130 PolarHBondContact O-N 3Å; F127-G131 PolarHBondContact O-N 2.92Å; F127-M154 HydrophobicContact CD1-CE 4.25Å; F127-M154 HydrophobicContact CE1-CB 4.3Å; F127-M154 HydrophobicContact CE1-CE 4.06Å; F127-M154 HydrophobicContact CZ-CB 3.95Å; F127-M154 HydrophobicContact CZ-CE 4.43Å; F127-M154 HydrophobicContact CZ-CG 4.07Å; F127-M154 WeakPolarHBondContact O-CE 3.41Å; F127-Y157 AromaticContact CE2-CD1 3.89Å; F127-Y157 HydrophobicContact CE2-CD1 3.89Å; F127-Y157 HydrophobicContact CE2-CG 4.25Å; F127-Y157 HydrophobicContact CZ-CD1 4.1Å; F127-Y157 HydrophobicContact CZ-CG 4.44Å; F127-L162 HydrophobicContact CD1-CD1 4.06Å; F127-L162 HydrophobicContact CE1-CD1 4.09Å; F127-L162 HydrophobicContact CG-CD1 4.46Å; F127-L162 HydrophobicContact CZ-CD1 4.49Å
128F86.8Confident84Confident64 Ų6418.7 Ų18.728%0.28112%0.116SC..Hα-helixtrans-64.7-43.8175.9-79.5-68000113L74 I124 V125 G132 M154 L158 W172L74-F128 HydrophobicContact CD1-CE2 4.08Å; L74-F128 HydrophobicContact CD1-CZ 4.17Å; L74-F128 HydrophobicContact CD2-CD2 3.79Å; L74-F128 HydrophobicContact CD2-CE2 3.88Å; I124-F128 HydrophobicContact CG2-CD2 4.11Å; I124-F128 HydrophobicContact CG2-CE2 3.87Å; I124-F128 WeakPolarHBondContact O-CD2 3.4Å; I124-F128 PolarHBondContact O-N 2.89Å; V125-F128 PolarHBondContact O-N 3.32Å; V125-F128 VanDerWaalsContact O-N 3.14Å; F128-G132 PolarHBondContact O-N 3.47Å; F128-M154 HydrophobicContact CD1-CE 3.98Å; F128-L158 HydrophobicContact CE1-CD1 4.27Å; F128-L158 HydrophobicContact CE2-CD1 4.31Å; F128-L158 HydrophobicContact CZ-CD1 3.51Å; F128-W172 HydrophobicContact CE2-CH2 4.01Å; F128-W172 HydrophobicContact CZ-CH2 4.39Å
129S82.9Confident83.9Confident4 Ų417.5 Ų17.53%0.02810%0.101CC..Hα-helixtrans-63.8-40.1175.3-73.90000112V125 A126 G132 A133V125-S129 PolarHBondContact O-N 2.89Å; A126-S129 PolarHBondContact O-N 2.9Å; S129-G132 PolarHBondContact O-N 2.93Å; S129-A133 WeakPolarHBondContact O-CB 3.39Å; S129-A133 PolarHBondContact O-N 3.01Å
130F83.6Confident83.8Confident5 Ų519.7 Ų19.72%0.02211%0.112CC..Hα-helixtrans-60.2-57.3177172.7-114.6000111.8F89 L92 L96 F107 V110 V111 A126 F127 G132 A133 L134F89-F130 HydrophobicContact CE1-CB 4.24Å; L92-F130 HydrophobicContact CD2-CD2 3.88Å; L92-F130 HydrophobicContact CD2-CE2 4.15Å; L96-F130 HydrophobicContact CD1-CE2 4.23Å; L96-F130 HydrophobicContact CD2-CE2 4.18Å; L96-F130 HydrophobicContact CD2-CZ 4.08Å; F107-F130 AromaticContact CD2-CE1 3.96Å; F107-F130 HydrophobicContact CD2-CE1 3.96Å; V110-F130 HydrophobicContact CB-CE1 3.97Å; V110-F130 HydrophobicContact CB-CE2 4.29Å; V110-F130 HydrophobicContact CB-CZ 3.63Å; V110-F130 HydrophobicContact CG1-CD1 4.23Å; V110-F130 HydrophobicContact CG1-CD2 4.19Å; V110-F130 HydrophobicContact CG1-CE1 3.75Å; V110-F130 HydrophobicContact CG1-CE2 3.71Å; V110-F130 HydrophobicContact CG1-CG 4.43Å; V110-F130 HydrophobicContact CG1-CZ 3.47Å; V110-F130 VanDerWaalsContact CG1-CZ 3.47Å; V110-F130 HydrophobicContact CG2-CE2 4.43Å; V110-F130 HydrophobicContact CG2-CZ 3.98Å; V111-F130 HydrophobicContact CG2-CD1 4.21Å; V111-F130 HydrophobicContact CG2-CE1 4.08Å; A126-F130 VanDerWaalsContact O-CB 3.29Å; A126-F130 WeakPolarHBondContact O-CB 3.37Å; A126-F130 PolarHBondContact O-N 3.43Å; F127-F130 PolarHBondContact O-N 3Å; F130-G132 VanDerWaalsContact C-N 3.29Å; F130-G132 PolarHBondContact O-N 3.28Å; F130-A133 WeakPolarHBondContact O-CA 3.44Å; F130-A133 WeakPolarHBondContact O-CB 3.46Å; F130-A133 PolarHBondContact O-N 3.35Å; F130-L134 HydrophobicContact CD1-CD1 4.42Å; F130-L134 HydrophobicContact CD2-CD2 4.13Å; F130-L134 HydrophobicContact CD2-CG 4.38Å; F130-L134 HydrophobicContact CE1-CD1 3.78Å; F130-L134 HydrophobicContact CE1-CG 4.28Å; F130-L134 HydrophobicContact CE2-CD1 4.25Å; F130-L134 HydrophobicContact CE2-CD2 3.62Å; F130-L134 HydrophobicContact CE2-CG 4.08Å; F130-L134 HydrophobicContact CZ-CD1 3.68Å; F130-L134 HydrophobicContact CZ-CD2 3.91Å; F130-L134 HydrophobicContact CZ-CG 4.03Å; F130-L134 WeakPolarHBondContact O-CG 3.39Å; F130-L134 PolarHBondContact O-N 3.43Å
131G86Confident83.9Confident0 Ų021.4 Ų21.40%012%0.117CC..Hα-helixtrans-64.8-32.4178.900000113.4F127 A133 L134 C135 M154F127-G131 PolarHBondContact O-N 2.92Å; G131-A133 VanDerWaalsContact C-N 3.33Å; G131-A133 PolarHBondContact O-N 3.14Å; G131-L134 PolarHBondContact O-N 2.96Å; G131-C135 PolarHBondContact O-N 2.99Å; G131-C135 PolarHBondContact O-SG 3.27Å; G131-C135 VanDerWaalsContact O-SG 3.33Å; G131-M154 VanDerWaalsContact CA-SD 3.57Å
132G85.6Confident84.1Confident33 Ų3327.9 Ų27.934%0.3415%0.149SC..Hα-helixtrans-60.7-39.8170.200000113.2F128 S129 F130 V136F128-G132 PolarHBondContact O-N 3.47Å; S129-G132 PolarHBondContact O-N 2.93Å; F130-G132 VanDerWaalsContact C-N 3.29Å; F130-G132 PolarHBondContact O-N 3.28Å; G132-V136 PolarHBondContact O-N 2.97Å
133A80.6Confident84.5Confident22 Ų2229 Ų2918%0.18215%0.152CC..Hα-helixtrans-70.4-41.6174.600000112.1T93 S129 F130 G131 C135 V136 E137T93-A133 HydrophobicContact CG2-CB 3.68Å; S129-A133 WeakPolarHBondContact O-CB 3.39Å; S129-A133 PolarHBondContact O-N 3.01Å; F130-A133 WeakPolarHBondContact O-CA 3.44Å; F130-A133 WeakPolarHBondContact O-CB 3.46Å; F130-A133 PolarHBondContact O-N 3.35Å; G131-A133 VanDerWaalsContact C-N 3.33Å; G131-A133 PolarHBondContact O-N 3.14Å; A133-C135 VanDerWaalsContact C-N 3.28Å; A133-C135 PolarHBondContact O-N 3.47Å; A133-V136 PolarHBondContact O-N 3.11Å; A133-E137 WeakPolarHBondContact O-CB 3.48Å; A133-E137 PolarHBondContact O-N 3.23Å
134L82.4Confident84.6Confident2 Ų232.5 Ų32.51%0.0117%0.169CC..Hα-helixtrans-59.3-38.6174.2-58.6-162.6000112.3L96 I98 F107 F130 G131 V136 S138 I150L96-L134 HydrophobicContact CD2-CD2 3.82Å; I98-L134 HydrophobicContact CD1-CB 4.32Å; I98-L134 HydrophobicContact CD1-CD1 3.92Å; I98-L134 HydrophobicContact CD1-CD2 3.75Å; I98-L134 HydrophobicContact CD1-CG 4.19Å; F107-L134 HydrophobicContact CD2-CD1 4.16Å; F130-L134 HydrophobicContact CD1-CD1 4.42Å; F130-L134 HydrophobicContact CD2-CD2 4.13Å; F130-L134 HydrophobicContact CD2-CG 4.38Å; F130-L134 HydrophobicContact CE1-CD1 3.78Å; F130-L134 HydrophobicContact CE1-CG 4.28Å; F130-L134 HydrophobicContact CE2-CD1 4.25Å; F130-L134 HydrophobicContact CE2-CD2 3.62Å; F130-L134 HydrophobicContact CE2-CG 4.08Å; F130-L134 HydrophobicContact CZ-CD1 3.68Å; F130-L134 HydrophobicContact CZ-CD2 3.91Å; F130-L134 HydrophobicContact CZ-CG 4.03Å; F130-L134 WeakPolarHBondContact O-CG 3.39Å; F130-L134 PolarHBondContact O-N 3.43Å; G131-L134 PolarHBondContact O-N 2.96Å; L134-V136 VanDerWaalsContact C-N 3.34Å; L134-S138 VanDerWaalsContact O-CB 3.27Å; L134-S138 WeakPolarHBondContact O-CB 3.44Å; L134-S138 PolarHBondContact O-N 3.46Å; L134-S138 PolarHBondContact O-OG 2.78Å; L134-I150 HydrophobicContact CB-CD1 3.76Å; L134-I150 HydrophobicContact CB-CG1 4.48Å; L134-I150 HydrophobicContact CB-CG2 4.29Å
135C86.5Confident84.6Confident9 Ų935.7 Ų35.76%0.06119%0.188CC..Hα-helixtrans-63.9-37.5174.5-74.90000112.4L1 G131 A133 V139 V147L1-C135 HydrophobicContact CD1-CB 4.3Å; L1-C135 HydrophobicContact CG-CB 4.36Å; G131-C135 PolarHBondContact O-N 2.99Å; G131-C135 PolarHBondContact O-SG 3.27Å; G131-C135 VanDerWaalsContact O-SG 3.33Å; A133-C135 VanDerWaalsContact C-N 3.28Å; A133-C135 PolarHBondContact O-N 3.47Å; C135-V139 WeakPolarHBondContact O-CG2 3.38Å; C135-V139 PolarHBondContact O-N 3.14Å; C135-V147 HydrophobicContact CB-CG1 4.35Å
136V84.9Confident84.8Confident20 Ų2035.3 Ų35.312%0.12119%0.186CC..Hα-helixtrans-70.2-49.3175.5171.60000110.5L1 K4 G132 A133 L134 S138 V139 D140L1-V136 HydrophobicContact CD2-CG2 4.37Å; K4-V136 HydrophobicContact CD-CG1 4.15Å; K4-V136 HydrophobicContact CG-CG1 4.07Å; K4-V136 HydrophobicContact CG-CG2 4.27Å; G132-V136 PolarHBondContact O-N 2.97Å; A133-V136 PolarHBondContact O-N 3.11Å; L134-V136 VanDerWaalsContact C-N 3.34Å; V136-S138 PolarHBondContact O-N 3.34Å; V136-V139 PolarHBondContact O-N 2.69Å; V136-D140 PolarHBondContact O-N 3.24Å
137E83.2Confident85Confident37 Ų3735.2 Ų35.217%0.17319%0.186CC..Hα-helixtrans-57-38.3178-171.662.7-154.800112.2A133 D140 K141A133-E137 WeakPolarHBondContact O-CB 3.48Å; A133-E137 PolarHBondContact O-N 3.23Å; E137-D140 PolarHBondContact O-N 3.17Å; E137-K141 HydrophobicContact CG-CD 4.27Å; E137-K141 WeakPolarHBondContact O-CB 3.47Å; E137-K141 PolarHBondContact O-N 3.28Å; E137-K141 WeakPolarHBondContact OE1-CD 3.25Å; E137-K141 WeakPolarHBondContact OE1-CE 3.48Å; E137-K141 IonicContact OE1-NZ 2.63Å; E137-K141 PolarHBondContact OE1-NZ 3.36Å
138S85.4Confident84.8Confident1 Ų135.8 Ų35.81%0.00719%0.19CC..Hα-helixtrans-66.7-34.4175.8-61.70000112.9L134 V136 E142 M143 I150L134-S138 VanDerWaalsContact O-CB 3.27Å; L134-S138 WeakPolarHBondContact O-CB 3.44Å; L134-S138 PolarHBondContact O-N 3.46Å; L134-S138 PolarHBondContact O-OG 2.78Å; V136-S138 PolarHBondContact O-N 3.34Å; S138-E142 PolarHBondContact O-N 3.38Å; S138-M143 CarbonylContact O-C 3.53Å; S138-M143 WeakPolarHBondContact O-CA 3.35Å; S138-M143 PolarHBondContact O-N 2.89Å; S138-I150 WeakPolarHBondContact OG-CD1 3.47Å
139V86.1Confident84.8Confident9 Ų938.1 Ų38.16%0.05520%0.197CC..Hα-helixtrans-75.6-43174.9174.10000110.9L1 Y6 F11 C135 V136 K141 E142 V147L1-V139 HydrophobicContact CD2-CB 4.48Å; L1-V139 HydrophobicContact CD2-CG2 3.78Å; Y6-V139 HydrophobicContact CD1-CG1 3.72Å; Y6-V139 HydrophobicContact CD2-CG1 4.04Å; Y6-V139 HydrophobicContact CE1-CG1 3.45Å; Y6-V139 VanDerWaalsContact CE1-CG1 3.45Å; Y6-V139 HydrophobicContact CE2-CG1 3.8Å; Y6-V139 HydrophobicContact CG-CG1 4.02Å; Y6-V139 VanDerWaalsContact CZ-CG1 3.5Å; F11-V139 HydrophobicContact CE1-CG2 3.91Å; F11-V139 HydrophobicContact CE2-CG2 4.31Å; F11-V139 HydrophobicContact CZ-CG1 4.46Å; F11-V139 HydrophobicContact CZ-CG2 3.66Å; C135-V139 WeakPolarHBondContact O-CG2 3.38Å; C135-V139 PolarHBondContact O-N 3.14Å; V136-V139 PolarHBondContact O-N 2.69Å; V139-K141 PolarHBondContact O-N 2.86Å; V139-E142 PolarHBondContact O-N 3.08Å; V139-V147 HydrophobicContact CG2-CG2 3.64Å
140D85.1Confident84.9Confident78 Ų7838 Ų3842%0.41720%0.195SC..Hα-helixtrans-62.6-27178.9-69.2-7.8000111.4K4 V136 E137K4-D140 IonicContact NZ-OD2 3.98Å; V136-D140 PolarHBondContact O-N 3.24Å; E137-D140 PolarHBondContact O-N 3.17Å
141K84.6Confident85Confident85 Ų8539.2 Ų39.237%0.3721%0.207SC..THydrogen-bonded Turntrans-95.414.1172.6-72.6171.8167.31500115E137 V139 M143E137-K141 HydrophobicContact CG-CD 4.27Å; E137-K141 WeakPolarHBondContact O-CB 3.47Å; E137-K141 PolarHBondContact O-N 3.28Å; E137-K141 WeakPolarHBondContact OE1-CD 3.25Å; E137-K141 WeakPolarHBondContact OE1-CE 3.48Å; E137-K141 IonicContact OE1-NZ 2.63Å; E137-K141 PolarHBondContact OE1-NZ 3.36Å; V139-K141 PolarHBondContact O-N 2.86Å; K141-M143 HydrophobicContact CB-CE 3.75Å; K141-M143 HydrophobicContact CB-CG 4.45Å; K141-M143 HydrophobicContact CD-CE 3.83Å; K141-M143 HydrophobicContact CG-CE 4.44Å; K141-M143 PolarHBondContact O-N 2.99Å
142E86.3Confident84.9Confident174 Ų17441.3 Ų41.381%0.81322%0.221SC*.THydrogen-bonded Turntrans60.88.7-178.5-56.6-176.2-175.900116S138 V139 Q144S138-E142 PolarHBondContact O-N 3.38Å; V139-E142 PolarHBondContact O-N 3.08Å; E142-Q144 VanDerWaalsContact C-N 3.26Å; E142-Q144 PolarHBondContact O-N 2.71Å; E142-Q144 VanDerWaalsContact O-N 3.07Å
143M85.9Confident85.2Confident34 Ų3441.9 Ų41.917%0.16721%0.213CC..  trans-86.148.3179.2-61.7-173.3-67.300112.8I98 P100 S138 K141 V145 L146I98-M143 HydrophobicContact CG2-CE 3.88Å; I98-M143 WeakPolarHBondContact O-CE 3.49Å; P100-M143 HydrophobicContact CG-CG 4.4Å; P100-M143 HydrophobicContact CG-SD 3.82Å; S138-M143 CarbonylContact O-C 3.53Å; S138-M143 WeakPolarHBondContact O-CA 3.35Å; S138-M143 PolarHBondContact O-N 2.89Å; K141-M143 HydrophobicContact CB-CE 3.75Å; K141-M143 HydrophobicContact CB-CG 4.45Å; K141-M143 HydrophobicContact CD-CE 3.83Å; K141-M143 HydrophobicContact CG-CE 4.44Å; K141-M143 PolarHBondContact O-N 2.99Å; M143-V145 PolarHBondContact O-N 3.31Å; M143-L146 HydrophobicContact CB-CD1 3.98Å; M143-L146 HydrophobicContact CB-CG 4.26Å; M143-L146 HydrophobicContact CE-CD1 4.07Å; M143-L146 WeakPolarHBondContact O-CB 3.41Å; M143-L146 PolarHBondContact O-N 2.85Å; M143-L146 HydrophobicContact SD-CD1 3.98Å
144Q84.9Confident85.6Confident96 Ų9641.9 Ų41.945%0.44921%0.21SC..THydrogen-bonded Turntrans-56.3-29.3-170.5-60.4-179.517.500114.2F11 E142 L146 V147F11-Q144 HydrophobicContact CD1-CB 3.99Å; F11-Q144 HydrophobicContact CD1-CG 4.44Å; F11-Q144 HydrophobicContact CE1-CB 3.97Å; F11-Q144 HydrophobicContact CE1-CG 3.9Å; E142-Q144 VanDerWaalsContact C-N 3.26Å; E142-Q144 PolarHBondContact O-N 2.71Å; E142-Q144 VanDerWaalsContact O-N 3.07Å; Q144-L146 PolarHBondContact O-N 3.26Å; Q144-L146 VanDerWaalsContact O-N 3.13Å; Q144-V147 WeakPolarHBondContact O-CB 3.22Å; Q144-V147 WeakPolarHBondContact O-CG2 3.35Å; Q144-V147 PolarHBondContact O-N 3.09Å
145V85.1Confident85.6Confident67 Ų6744.1 Ų44.141%0.40623%0.228SC..Hα-helixtrans-59.4-19173.969.40000114.2M143 S148 R149M143-V145 PolarHBondContact O-N 3.31Å; V145-S148 PolarHBondContact O-OG 3.11Å; V145-R149 WeakPolarHBondContact O-CG 3.48Å
146L85.9Confident85.5Confident0 Ų047 Ų470%025%0.246CC..Hα-helixtrans-78.4-23.2174.8-67.8-177.3000113I98 P100 A103 M143 Q144 S148 R149 I150I98-L146 HydrophobicContact CG2-CD1 3.53Å; P100-L146 HydrophobicContact CB-CD2 4.37Å; A103-L146 HydrophobicContact CB-CD1 4.07Å; A103-L146 HydrophobicContact CB-CD2 3.96Å; M143-L146 HydrophobicContact CB-CD1 3.98Å; M143-L146 HydrophobicContact CB-CG 4.26Å; M143-L146 HydrophobicContact CE-CD1 4.07Å; M143-L146 WeakPolarHBondContact O-CB 3.41Å; M143-L146 PolarHBondContact O-N 2.85Å; M143-L146 HydrophobicContact SD-CD1 3.98Å; Q144-L146 PolarHBondContact O-N 3.26Å; Q144-L146 VanDerWaalsContact O-N 3.13Å; L146-S148 PolarHBondContact O-N 3.22Å; L146-R149 PolarHBondContact O-N 3Å; L146-I150 HydrophobicContact CB-CD1 4.09Å; L146-I150 WeakPolarHBondContact O-CB 3.09Å; L146-I150 WeakPolarHBondContact O-CD1 3.32Å; L146-I150 WeakPolarHBondContact O-CG1 3.15Å; L146-I150 PolarHBondContact O-N 2.92Å
147V86.4Confident85.5Confident0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-61.9-46.4-175.8176.70000111.8L1 W8 F11 C135 V139 Q144 A151L1-V147 HydrophobicContact CD1-CG1 3.76Å; W8-V147 HydrophobicContact CE3-CG1 4.29Å; W8-V147 HydrophobicContact CH2-CG1 4.01Å; W8-V147 HydrophobicContact CZ3-CG1 3.49Å; W8-V147 VanDerWaalsContact CZ3-CG1 3.49Å; F11-V147 HydrophobicContact CB-CB 4.11Å; F11-V147 HydrophobicContact CB-CG1 3.87Å; F11-V147 HydrophobicContact CD1-CB 4.45Å; F11-V147 HydrophobicContact CD1-CG2 4.39Å; F11-V147 HydrophobicContact CD2-CG1 3.95Å; F11-V147 HydrophobicContact CG-CB 4.14Å; F11-V147 HydrophobicContact CG-CG1 3.88Å; F11-V147 HydrophobicContact CG-CG2 4.43Å; C135-V147 HydrophobicContact CB-CG1 4.35Å; V139-V147 HydrophobicContact CG2-CG2 3.64Å; Q144-V147 WeakPolarHBondContact O-CB 3.22Å; Q144-V147 WeakPolarHBondContact O-CG2 3.35Å; Q144-V147 PolarHBondContact O-N 3.09Å; V147-A151 PolarHBondContact O-N 3.08Å
148S82.3Confident85.7Confident12 Ų1246.8 Ų46.88%0.08424%0.243CC..Hα-helixtrans-67.2-42.7175.651.40000111.9V145 L146 I150 A151 S152V145-S148 PolarHBondContact O-OG 3.11Å; L146-S148 PolarHBondContact O-N 3.22Å; S148-I150 PolarHBondContact O-N 3.23Å; S148-A151 PolarHBondContact O-N 2.81Å; S148-S152 WeakPolarHBondContact O-CB 3.43Å; S148-S152 PolarHBondContact O-N 3.17Å
149R86.6Confident85.5Confident112 Ų11251.4 Ų51.442%0.42327%0.268SS..Hα-helixtrans-59.8-46.1177.1-67.4179.7179.7-171.7-0.2112.6V145 L146 A151 S152 W153V145-R149 WeakPolarHBondContact O-CG 3.48Å; L146-R149 PolarHBondContact O-N 3Å; R149-A151 PolarHBondContact O-N 3.32Å; R149-S152 WeakPolarHBondContact O-CB 3.45Å; R149-S152 PolarHBondContact O-N 3.04Å; R149-W153 HydrophobicContact CB-CH2 4.02Å; R149-W153 HydrophobicContact CB-CZ2 3.73Å; R149-W153 HydrophobicContact CG-CZ2 4.48Å; R149-W153 PolarHBondContact O-N 3.45Å
150I85.9Confident85.7Confident1 Ų155.9 Ų55.91%0.00529%0.292CS..Hα-helixtrans-60-46.6176.8-69.2158.2000110.1L134 S138 L146 S148 S152 W153 M154L134-I150 HydrophobicContact CB-CD1 3.76Å; L134-I150 HydrophobicContact CB-CG1 4.48Å; L134-I150 HydrophobicContact CB-CG2 4.29Å; S138-I150 WeakPolarHBondContact OG-CD1 3.47Å; L146-I150 HydrophobicContact CB-CD1 4.09Å; L146-I150 WeakPolarHBondContact O-CB 3.09Å; L146-I150 WeakPolarHBondContact O-CD1 3.32Å; L146-I150 WeakPolarHBondContact O-CG1 3.15Å; L146-I150 PolarHBondContact O-N 2.92Å; S148-I150 PolarHBondContact O-N 3.23Å; I150-S152 VanDerWaalsContact C-N 3.33Å; I150-S152 PolarHBondContact O-N 3.3Å; I150-W153 HydrophobicContact CG1-CE3 4.11Å; I150-W153 HydrophobicContact CG1-CZ3 3.95Å; I150-W153 PolarHBondContact O-N 2.96Å; I150-M154 HydrophobicContact CG2-CG 4.39Å; I150-M154 HydrophobicContact CG2-SD 4.11Å; I150-M154 WeakPolarHBondContact O-CB 3.36Å; I150-M154 VanDerWaalsContact O-CG 3.25Å; I150-M154 WeakPolarHBondContact O-CG 3.33Å; I150-M154 PolarHBondContact O-N 2.92Å
151A84.3Confident86Confident32 Ų3257.1 Ų57.126%0.26430%0.295SS..Hα-helixtrans-62.9-38.4177.500000112.7W8 V147 S148 R149 M154 A155W8-A151 HydrophobicContact CH2-CB 3.6Å; W8-A151 HydrophobicContact CZ2-CB 4.22Å; V147-A151 PolarHBondContact O-N 3.08Å; S148-A151 PolarHBondContact O-N 2.81Å; R149-A151 PolarHBondContact O-N 3.32Å; A151-M154 PolarHBondContact O-N 3.15Å; A151-A155 WeakPolarHBondContact O-CB 3.42Å; A151-A155 PolarHBondContact O-N 3.15Å
152S84.6Confident86.2Confident43 Ų4353.1 Ų53.130%0.30128%0.277SS..Hα-helixtrans-62-50173.6-169.10000111.3S148 R149 I150 M154 A155 T156S148-S152 WeakPolarHBondContact O-CB 3.43Å; S148-S152 PolarHBondContact O-N 3.17Å; R149-S152 WeakPolarHBondContact O-CB 3.45Å; R149-S152 PolarHBondContact O-N 3.04Å; I150-S152 VanDerWaalsContact C-N 3.33Å; I150-S152 PolarHBondContact O-N 3.3Å; S152-M154 VanDerWaalsContact C-N 3.33Å; S152-M154 PolarHBondContact O-N 2.97Å; S152-A155 PolarHBondContact O-N 2.96Å; S152-A155 VanDerWaalsContact O-N 3.15Å; S152-T156 PolarHBondContact O-N 2.88Å; S152-T156 PolarHBondContact O-OG1 3.43Å; S152-T156 VanDerWaalsContact O-OG1 3.09Å
153W91.4Very high86.1Confident46 Ų4647.1 Ų47.117%0.17425%0.249CC..Hα-helixtrans-60.5-39.6176.3-55.9-29.4000112.9A103 Y104 F107 R149 I150 Y157A103-W153 HydrophobicContact CB-CH2 3.75Å; A103-W153 HydrophobicContact CB-CZ3 3.9Å; Y104-W153 AromaticContact CD2-CD1 3.84Å; Y104-W153 AromaticContact CD2-CD2 3.76Å; Y104-W153 HydrophobicContact CD2-CD2 3.76Å; Y104-W153 AromaticContact CD2-CE2 3.61Å; Y104-W153 HydrophobicContact CD2-CE3 4.36Å; Y104-W153 AromaticContact CD2-CG 3.93Å; Y104-W153 HydrophobicContact CD2-CG 3.93Å; Y104-W153 HydrophobicContact CD2-CZ2 4.12Å; Y104-W153 AromaticContact CD2-NE1 3.64Å; Y104-W153 HydrophobicContact CE2-CG 4.28Å; Y104-W153 HydrophobicContact CG-CZ2 4.41Å; F107-W153 HydrophobicContact CB-CE3 4.26Å; F107-W153 HydrophobicContact CD1-CB 4Å; F107-W153 HydrophobicContact CD1-CE3 4.44Å; F107-W153 HydrophobicContact CE1-CB 3.66Å; F107-W153 HydrophobicContact CG-CE3 4.26Å; F107-W153 HydrophobicContact CZ-CB 4.06Å; R149-W153 HydrophobicContact CB-CH2 4.02Å; R149-W153 HydrophobicContact CB-CZ2 3.73Å; R149-W153 HydrophobicContact CG-CZ2 4.48Å; R149-W153 PolarHBondContact O-N 3.45Å; I150-W153 HydrophobicContact CG1-CE3 4.11Å; I150-W153 HydrophobicContact CG1-CZ3 3.95Å; I150-W153 PolarHBondContact O-N 2.96Å; W153-Y157 WeakPolarHBondContact O-CB 3.29Å; W153-Y157 PolarHBondContact O-N 3.15Å
154M89.2Confident86.2Confident21 Ų2148.8 Ų48.810%0.10326%0.262CS..Hα-helixtrans-64.3-41.9175.1-71.7178.585.500112.4F107 F127 F128 G131 I150 A151 S152 L158F107-M154 HydrophobicContact CE2-CG 3.74Å; F107-M154 HydrophobicContact CZ-CG 3.93Å; F127-M154 HydrophobicContact CD1-CE 4.25Å; F127-M154 HydrophobicContact CE1-CB 4.3Å; F127-M154 HydrophobicContact CE1-CE 4.06Å; F127-M154 HydrophobicContact CZ-CB 3.95Å; F127-M154 HydrophobicContact CZ-CE 4.43Å; F127-M154 HydrophobicContact CZ-CG 4.07Å; F127-M154 WeakPolarHBondContact O-CE 3.41Å; F128-M154 HydrophobicContact CD1-CE 3.98Å; G131-M154 VanDerWaalsContact CA-SD 3.57Å; I150-M154 HydrophobicContact CG2-CG 4.39Å; I150-M154 HydrophobicContact CG2-SD 4.11Å; I150-M154 WeakPolarHBondContact O-CB 3.36Å; I150-M154 VanDerWaalsContact O-CG 3.25Å; I150-M154 WeakPolarHBondContact O-CG 3.33Å; I150-M154 PolarHBondContact O-N 2.92Å; A151-M154 PolarHBondContact O-N 3.15Å; S152-M154 VanDerWaalsContact C-N 3.33Å; S152-M154 PolarHBondContact O-N 2.97Å; M154-L158 VanDerWaalsContact O-CB 3.25Å; M154-L158 WeakPolarHBondContact O-CB 3.41Å; M154-L158 PolarHBondContact O-N 3.01Å
155A82.3Confident86.5Confident49 Ų4946.6 Ų46.641%0.40525%0.25SS..Hα-helixtrans-65.8-44.1177.700000111.4A151 S152 L158 N159A151-A155 WeakPolarHBondContact O-CB 3.42Å; A151-A155 PolarHBondContact O-N 3.15Å; S152-A155 PolarHBondContact O-N 2.96Å; S152-A155 VanDerWaalsContact O-N 3.15Å; A155-L158 PolarHBondContact O-N 3.41Å; A155-N159 PolarHBondContact O-N 3.01Å; A155-N159 PolarHBondContact O-ND2 3.05Å; A155-N159 VanDerWaalsContact O-ND2 3.15Å
156T84.3Confident86.3Confident69 Ų6943.4 Ų43.442%0.42323%0.231SC..Hα-helixtrans-57.5-54.4173.4-56.90000110.9S152 L158 N159 D160S152-T156 PolarHBondContact O-N 2.88Å; S152-T156 PolarHBondContact O-OG1 3.43Å; S152-T156 VanDerWaalsContact O-OG1 3.09Å; T156-L158 VanDerWaalsContact C-N 3.3Å; T156-L158 PolarHBondContact O-N 3.23Å; T156-N159 PolarHBondContact O-N 3.12Å; T156-N159 VanDerWaalsContact O-N 3.17Å; T156-D160 VanDerWaalsContact CG2-OD2 3.29Å; T156-D160 WeakPolarHBondContact CG2-OD2 3.47Å; T156-D160 WeakPolarHBondContact O-CB 3.5Å; T156-D160 PolarHBondContact O-N 3.1Å
157Y86.4Confident86Confident29 Ų2948.8 Ų48.811%0.11426%0.256CS..Hα-helixtrans-62.1-37.7-177.9-166.8-81.9000112.6V111 F115 F127 W153 H161 L162V111-Y157 HydrophobicContact CG1-CD1 3.67Å; V111-Y157 HydrophobicContact CG1-CD2 3.83Å; V111-Y157 HydrophobicContact CG1-CE1 3.39Å; V111-Y157 HydrophobicContact CG1-CE2 3.56Å; V111-Y157 HydrophobicContact CG1-CG 3.9Å; F115-Y157 AromaticContact CD2-CE1 3.68Å; F115-Y157 HydrophobicContact CD2-CE1 3.68Å; F115-Y157 AromaticContact CE2-CE1 3.85Å; F115-Y157 HydrophobicContact CE2-CE1 3.85Å; F127-Y157 AromaticContact CE2-CD1 3.89Å; F127-Y157 HydrophobicContact CE2-CD1 3.89Å; F127-Y157 HydrophobicContact CE2-CG 4.25Å; F127-Y157 HydrophobicContact CZ-CD1 4.1Å; F127-Y157 HydrophobicContact CZ-CG 4.44Å; W153-Y157 WeakPolarHBondContact O-CB 3.29Å; W153-Y157 PolarHBondContact O-N 3.15Å; Y157-H161 HydrophobicContact CD1-CB 4.19Å; Y157-H161 AromaticContact CD2-CD2 3.37Å; Y157-H161 WeakPolarHBondContact CD2-CD2 3.41Å; Y157-H161 HydrophobicContact CE1-CB 3.8Å; Y157-H161 HydrophobicContact CE2-CB 4.35Å; Y157-H161 AromaticContact CE2-CD2 3.41Å; Y157-H161 VanDerWaalsContact CE2-CD2 3.41Å; Y157-H161 WeakPolarHBondContact CE2-CD2 3.41Å; Y157-H161 AromaticContact CE2-CG 3.95Å; Y157-H161 AromaticContact CG-CD2 3.8Å; Y157-H161 AromaticContact CZ-CD2 3.85Å; Y157-H161 AromaticContact CZ-CG 3.95Å; Y157-H161 WeakPolarHBondContact O-CB 3.25Å; Y157-H161 PolarHBondContact O-N 3.32Å; Y157-L162 HydrophobicContact CD1-CD1 4.13Å; Y157-L162 HydrophobicContact CD1-CG 4.04Å; Y157-L162 HydrophobicContact CE1-CD1 4.35Å; Y157-L162 HydrophobicContact CE1-CD2 4.01Å; Y157-L162 HydrophobicContact CE1-CG 4.02Å
158L85.9Confident85.8Confident24 Ų2456.3 Ų56.313%0.12629%0.291CS..Iπ-helixtrans-60.9-50.7174.9-175.4155.1000111.2F128 M154 A155 T156 L162 E163 W172F128-L158 HydrophobicContact CE1-CD1 4.27Å; F128-L158 HydrophobicContact CE2-CD1 4.31Å; F128-L158 HydrophobicContact CZ-CD1 3.51Å; M154-L158 VanDerWaalsContact O-CB 3.25Å; M154-L158 WeakPolarHBondContact O-CB 3.41Å; M154-L158 PolarHBondContact O-N 3.01Å; A155-L158 PolarHBondContact O-N 3.41Å; T156-L158 VanDerWaalsContact C-N 3.3Å; T156-L158 PolarHBondContact O-N 3.23Å; L158-L162 CarbonylContact O-C 3.49Å; L158-L162 WeakPolarHBondContact O-CA 3.47Å; L158-L162 WeakPolarHBondContact O-CB 3.47Å; L158-L162 PolarHBondContact O-N 2.86Å; L158-L162 VanDerWaalsContact O-N 3.08Å; L158-E163 WeakPolarHBondContact O-CB 3.49Å; L158-E163 PolarHBondContact O-N 2.93Å; L158-W172 HydrophobicContact CD1-CZ2 4.11Å
159N82.2Confident85.6Confident98 Ų9859.4 Ų59.452%0.52431%0.307SS..Iπ-helixtrans-65.4-42-178.2-66.9-26.4000112.3A155 T156A155-N159 PolarHBondContact O-N 3.01Å; A155-N159 PolarHBondContact O-ND2 3.05Å; A155-N159 VanDerWaalsContact O-ND2 3.15Å; T156-N159 PolarHBondContact O-N 3.12Å; T156-N159 VanDerWaalsContact O-N 3.17Å
160D90.9Very high85Confident104 Ų10456.6 Ų56.656%0.55631%0.312SS*.Iπ-helixtrans-83.5-32.8-170.6-65.8-11.8000113T156T156-D160 VanDerWaalsContact CG2-OD2 3.29Å; T156-D160 WeakPolarHBondContact CG2-OD2 3.47Å; T156-D160 WeakPolarHBondContact O-CB 3.5Å; T156-D160 PolarHBondContact O-N 3.1Å
161H90.7Very high84.5Confident104 Ų10457 Ų5748%0.48132%0.316SS..Iπ-helixtrans-119.8-31.8-172-58-70.9000115Y157Y157-H161 HydrophobicContact CD1-CB 4.19Å; Y157-H161 AromaticContact CD2-CD2 3.37Å; Y157-H161 WeakPolarHBondContact CD2-CD2 3.41Å; Y157-H161 HydrophobicContact CE1-CB 3.8Å; Y157-H161 HydrophobicContact CE2-CB 4.35Å; Y157-H161 AromaticContact CE2-CD2 3.41Å; Y157-H161 VanDerWaalsContact CE2-CD2 3.41Å; Y157-H161 WeakPolarHBondContact CE2-CD2 3.41Å; Y157-H161 AromaticContact CE2-CG 3.95Å; Y157-H161 AromaticContact CG-CD2 3.8Å; Y157-H161 AromaticContact CZ-CD2 3.85Å; Y157-H161 AromaticContact CZ-CG 3.95Å; Y157-H161 WeakPolarHBondContact O-CB 3.25Å; Y157-H161 PolarHBondContact O-N 3.32Å
162L88.1Confident84Confident0 Ų057.3 Ų57.30%031%0.311CS..Iπ-helixtrans-98.4-37.6-173.2-55.7-179.6000112.7F115 V119 I124 F127 Y157 L158 P164 W165 I166F115-L162 HydrophobicContact CD1-CD2 4.08Å; F115-L162 HydrophobicContact CD2-CD2 4.23Å; F115-L162 HydrophobicContact CE1-CD2 3.71Å; F115-L162 HydrophobicContact CE2-CD1 4.18Å; F115-L162 HydrophobicContact CE2-CD2 3.9Å; F115-L162 HydrophobicContact CG-CD2 4.33Å; F115-L162 HydrophobicContact CZ-CD1 3.92Å; F115-L162 HydrophobicContact CZ-CD2 3.63Å; F115-L162 HydrophobicContact CZ-CG 4.44Å; V119-L162 HydrophobicContact CG1-CD2 3.9Å; V119-L162 HydrophobicContact CG2-CD2 3.87Å; I124-L162 HydrophobicContact CG1-CD1 4.46Å; F127-L162 HydrophobicContact CD1-CD1 4.06Å; F127-L162 HydrophobicContact CE1-CD1 4.09Å; F127-L162 HydrophobicContact CG-CD1 4.46Å; F127-L162 HydrophobicContact CZ-CD1 4.49Å; Y157-L162 HydrophobicContact CD1-CD1 4.13Å; Y157-L162 HydrophobicContact CD1-CG 4.04Å; Y157-L162 HydrophobicContact CE1-CD1 4.35Å; Y157-L162 HydrophobicContact CE1-CD2 4.01Å; Y157-L162 HydrophobicContact CE1-CG 4.02Å; L158-L162 CarbonylContact O-C 3.49Å; L158-L162 WeakPolarHBondContact O-CA 3.47Å; L158-L162 WeakPolarHBondContact O-CB 3.47Å; L158-L162 PolarHBondContact O-N 2.86Å; L158-L162 VanDerWaalsContact O-N 3.08Å; L162-P164 VanDerWaalsContact C-CD 3.5Å; L162-W165 PolarHBondContact O-N 3.45Å; L162-W165 VanDerWaalsContact O-N 3.17Å; L162-I166 HydrophobicContact CB-CD1 3.93Å; L162-I166 WeakPolarHBondContact O-CD1 3.44Å; L162-I166 WeakPolarHBondContact O-CG1 3.46Å; L162-I166 PolarHBondContact O-N 2.92Å
163E84.1Confident82.9Confident48 Ų4855.9 Ų55.922%0.22430%0.303CS..Hα-helixtrans-57.8-40.2-175-171.262.6-161.500113.5L158 W165 I166 Q167 W172L158-E163 WeakPolarHBondContact O-CB 3.49Å; L158-E163 PolarHBondContact O-N 2.93Å; E163-W165 PolarHBondContact O-N 3.42Å; E163-I166 PolarHBondContact O-N 3.34Å; E163-Q167 HydrophobicContact CG-CG 4.46Å; E163-Q167 WeakPolarHBondContact O-CG 3.5Å; E163-Q167 PolarHBondContact O-N 2.9Å; E163-Q167 PolarHBondContact OE1-NE2 3.46Å; E163-W172 PolarHBondContact OE2-NE1 3.05Å; E163-W172 VanDerWaalsContact OE2-NE1 3.12Å
164P89.5Confident81.1Confident69 Ų6956.1 Ų56.145%0.44831%0.309SS..Hα-helixtrans-58.3-48.8174.3-24.334.9000112.5L162 I166 Q167 E168L162-P164 VanDerWaalsContact C-CD 3.5Å; P164-I166 VanDerWaalsContact C-N 3.35Å; P164-I166 PolarHBondContact O-N 2.96Å; P164-Q167 PolarHBondContact O-N 3.36Å; P164-E168 WeakPolarHBondContact O-CG 3.45Å; P164-E168 PolarHBondContact O-N 3.34Å
165W90.3Very high78.8Confident51 Ų5160 Ų6019%0.19334%0.338CS..Hα-helixtrans-64.3-40.2178.2-177.592.7000111.7V119 N120 W121 I124 L162 E163 E168 N169V119-W165 HydrophobicContact CB-CB 4.16Å; V119-W165 HydrophobicContact CB-CD2 3.8Å; V119-W165 HydrophobicContact CB-CE3 4.38Å; V119-W165 HydrophobicContact CB-CG 3.66Å; V119-W165 HydrophobicContact CG1-CB 4.17Å; V119-W165 HydrophobicContact CG1-CD2 3.51Å; V119-W165 HydrophobicContact CG1-CE3 3.58Å; V119-W165 HydrophobicContact CG1-CG 3.77Å; V119-W165 HydrophobicContact CG1-CZ3 4.28Å; V119-W165 HydrophobicContact CG2-CB 4.49Å; V119-W165 HydrophobicContact CG2-CG 4.45Å; V119-W165 VanDerWaalsContact O-CE2 3.27Å; V119-W165 WeakPolarHBondContact O-CZ2 3.41Å; V119-W165 PolarHBondContact O-NE1 2.91Å; N120-W165 HydrophobicContact CB-CZ2 4.47Å; W121-W165 AromaticContact CD1-CH2 3.65Å; W121-W165 HydrophobicContact CD2-CH2 4.14Å; W121-W165 AromaticContact CD2-CZ3 3.8Å; W121-W165 HydrophobicContact CD2-CZ3 3.8Å; W121-W165 AromaticContact CE2-CZ3 3.72Å; W121-W165 HydrophobicContact CE3-CZ3 4.31Å; W121-W165 AromaticContact CG-CH2 3.92Å; W121-W165 HydrophobicContact CG-CH2 3.92Å; W121-W165 HydrophobicContact CG-CZ3 4.05Å; W121-W165 HydrophobicContact CZ2-CZ3 4.19Å; W121-W165 AromaticContact NE1-CH2 3.68Å; W121-W165 AromaticContact NE1-CZ3 3.87Å; I124-W165 HydrophobicContact CD1-CE3 3.77Å; I124-W165 HydrophobicContact CD1-CZ3 3.65Å; L162-W165 PolarHBondContact O-N 3.45Å; L162-W165 VanDerWaalsContact O-N 3.17Å; E163-W165 PolarHBondContact O-N 3.42Å; W165-E168 PolarHBondContact O-N 2.84Å; W165-N169 HydrophobicContact CD2-CB 4.43Å; W165-N169 HydrophobicContact CE3-CB 4.29Å; W165-N169 HydrophobicContact CH2-CB 3.92Å; W165-N169 HydrophobicContact CZ2-CB 4.09Å; W165-N169 VanDerWaalsContact CZ2-CG 3.46Å; W165-N169 HydrophobicContact CZ3-CB 4.03Å; W165-N169 PolarHBondContact NE1-ND2 3.41Å; W165-N169 WeakPolarHBondContact O-CB 3.36Å; W165-N169 PolarHBondContact O-N 3.25Å; W165-N169 PolarHBondContact O-ND2 3.32Å
166I80.9Confident77Confident0 Ų061.3 Ų61.30%036%0.356CS..Hα-helixtrans-58.3-50.4176.8-74.4157000110W121 I124 L162 E163 P164 E168 N169 G170 G171 W172W121-I166 HydrophobicContact CH2-CB 4.39Å; W121-I166 HydrophobicContact CH2-CG1 4.1Å; W121-I166 HydrophobicContact CH2-CG2 3.86Å; W121-I166 HydrophobicContact CZ3-CG1 4.13Å; I124-I166 HydrophobicContact CD1-CD1 4.19Å; I124-I166 HydrophobicContact CD1-CG1 3.82Å; L162-I166 HydrophobicContact CB-CD1 3.93Å; L162-I166 WeakPolarHBondContact O-CD1 3.44Å; L162-I166 WeakPolarHBondContact O-CG1 3.46Å; L162-I166 PolarHBondContact O-N 2.92Å; E163-I166 PolarHBondContact O-N 3.34Å; P164-I166 VanDerWaalsContact C-N 3.35Å; P164-I166 PolarHBondContact O-N 2.96Å; I166-E168 PolarHBondContact O-N 3.17Å; I166-N169 CarbonylContact O-C 3.46Å; I166-N169 PolarHBondContact O-N 3.01Å; I166-N169 VanDerWaalsContact O-N 3.12Å; I166-G170 PolarHBondContact O-N 3.46Å; I166-G171 WeakPolarHBondContact O-CA 3.31Å; I166-G171 PolarHBondContact O-N 3.29Å; I166-W172 HydrophobicContact CD1-CH2 3.86Å; I166-W172 HydrophobicContact CD1-CZ2 3.27Å; I166-W172 HydrophobicContact CG1-CZ2 4.26Å; I166-W172 HydrophobicContact CG2-CD2 4.13Å; I166-W172 HydrophobicContact CG2-CG 4.15Å; I166-W172 HydrophobicContact CG2-CZ2 4.45Å
167Q79.5Confident75Confident113 Ų11361.1 Ų61.153%0.52837%0.368SS..Hα-helixtrans-62.4-42.6179.1-66.6-63.9-24.500112.1E163 P164 N169 G170E163-Q167 HydrophobicContact CG-CG 4.46Å; E163-Q167 WeakPolarHBondContact O-CG 3.5Å; E163-Q167 PolarHBondContact O-N 2.9Å; E163-Q167 PolarHBondContact OE1-NE2 3.46Å; P164-Q167 PolarHBondContact O-N 3.36Å; Q167-N169 PolarHBondContact O-N 2.82Å; Q167-G170 PolarHBondContact O-N 2.98Å
168E83.2Confident72.8Confident157 Ų15763.8 Ų63.873%0.73439%0.388SS*.Hα-helixtrans-60.4-29.8174-73174.6-178.500113.3P164 W165 I166P164-E168 WeakPolarHBondContact O-CG 3.45Å; P164-E168 PolarHBondContact O-N 3.34Å; W165-E168 PolarHBondContact O-N 2.84Å; I166-E168 PolarHBondContact O-N 3.17Å
169N78.2Confident71Confident78 Ų7865.8 Ų65.842%0.41740%0.402SS..THydrogen-bonded Turntrans-99.526.1-177.2-72.8-97.4000113.5W165 I166 Q167W165-N169 HydrophobicContact CD2-CB 4.43Å; W165-N169 HydrophobicContact CE3-CB 4.29Å; W165-N169 HydrophobicContact CH2-CB 3.92Å; W165-N169 HydrophobicContact CZ2-CB 4.09Å; W165-N169 VanDerWaalsContact CZ2-CG 3.46Å; W165-N169 HydrophobicContact CZ3-CB 4.03Å; W165-N169 PolarHBondContact NE1-ND2 3.41Å; W165-N169 WeakPolarHBondContact O-CB 3.36Å; W165-N169 PolarHBondContact O-N 3.25Å; W165-N169 PolarHBondContact O-ND2 3.32Å; I166-N169 CarbonylContact O-C 3.46Å; I166-N169 PolarHBondContact O-N 3.01Å; I166-N169 VanDerWaalsContact O-N 3.12Å; Q167-N169 PolarHBondContact O-N 2.82Å
170G73.5Confident69.2Low52 Ų5262.8 Ų62.854%0.53639%0.386SS..THydrogen-bonded Turntrans95.83.217500000115I166 Q167 G173I166-G170 PolarHBondContact O-N 3.46Å; Q167-G170 PolarHBondContact O-N 2.98Å; G170-G173 VanDerWaalsContact O-O 3.09Å
171G75.1Confident66.8Low9 Ų965 Ų659%0.09339%0.387CS..  trans69.9-172-179.500000113.8I166 G173I166-G171 WeakPolarHBondContact O-CA 3.31Å; I166-G171 PolarHBondContact O-N 3.29Å; G171-G173 PolarHBondContact O-N 3.12Å
172W73.5Confident64.3Low40 Ų4062.8 Ų62.815%0.15238%0.382CS..SBendtrans-70.3-9.1168.3-58.5104000113.2V70 L74 W121 I124 F128 L158 E163 I166V70-W172 HydrophobicContact CG1-CB 4.39Å; V70-W172 HydrophobicContact CG1-CD2 4.29Å; V70-W172 HydrophobicContact CG1-CE3 3.88Å; V70-W172 HydrophobicContact CG2-CB 4.12Å; L74-W172 HydrophobicContact CD1-CZ3 4.31Å; L74-W172 HydrophobicContact CD2-CZ3 4.26Å; W121-W172 HydrophobicContact CH2-CE3 4.33Å; W121-W172 AromaticContact CZ3-CE3 3.98Å; W121-W172 HydrophobicContact CZ3-CE3 3.98Å; W121-W172 HydrophobicContact CZ3-CH2 4.32Å; W121-W172 AromaticContact CZ3-CZ3 3.77Å; W121-W172 HydrophobicContact CZ3-CZ3 3.77Å; I124-W172 HydrophobicContact CG2-CH2 4.06Å; F128-W172 HydrophobicContact CE2-CH2 4.01Å; F128-W172 HydrophobicContact CZ-CH2 4.39Å; L158-W172 HydrophobicContact CD1-CZ2 4.11Å; E163-W172 PolarHBondContact OE2-NE1 3.05Å; E163-W172 VanDerWaalsContact OE2-NE1 3.12Å; I166-W172 HydrophobicContact CD1-CH2 3.86Å; I166-W172 HydrophobicContact CD1-CZ2 3.27Å; I166-W172 HydrophobicContact CG1-CZ2 4.26Å; I166-W172 HydrophobicContact CG2-CD2 4.13Å; I166-W172 HydrophobicContact CG2-CG 4.15Å; I166-W172 HydrophobicContact CG2-CZ2 4.45Å
173G61.6Low62.4Low12 Ų1265.1 Ų65.112%0.12440%0.397CS..SBendtrans-99.6127.8-169.600000113.2G170 G171 S175G170-G173 VanDerWaalsContact O-O 3.09Å; G171-G173 PolarHBondContact O-N 3.12Å; G173-S175 VanDerWaalsContact C-N 3.28Å; G173-S175 PolarHBondContact O-N 3.12Å
174V52.7Low60.7Low51 Ų5163.9 Ų63.931%0.30939%0.391SS..  trans-78.177.6171.9-178.90000110.1G176 T178 L180V174-G176 PolarHBondContact O-N 2.77Å; V174-G176 VanDerWaalsContact O-N 3.13Å; V174-T178 WeakPolarHBondContact CG1-O 3.36Å; V174-T178 WeakPolarHBondContact CG2-O 3.36Å; V174-L180 HydrophobicContact CG2-CD1 3.46Å; V174-L180 VanDerWaalsContact CG2-CD1 3.46Å
175S40.8Very low58.4Low103 Ų10369 Ų6972%0.7240%0.401SS*.THydrogen-bonded Turntrans-71.9102.5163.6-67.60000109G173G173-S175 VanDerWaalsContact C-N 3.28Å; G173-S175 PolarHBondContact O-N 3.12Å
176G45.9Very low55.9Low76 Ų7676.5 Ų76.578%0.78443%0.429SS*.THydrogen-bonded Turntrans119.914.6174.300000117.3V174 T178V174-G176 PolarHBondContact O-N 2.77Å; V174-G176 VanDerWaalsContact O-N 3.13Å; G176-T178 PolarHBondContact O-N 3.45Å
177G41.4Very low53.8Low65 Ų6578.3 Ų78.367%0.6744%0.439SS*.SBendtrans76.711.5167.200000117.2P179G177-P179 WeakPolarHBondContact O-CD 3.44Å
178T41.7Very low51.8Low85 Ų8575.5 Ų75.552%0.52143%0.429SS..  trans-88.288.3167.3430000111V174 G176V174-T178 WeakPolarHBondContact CG1-O 3.36Å; V174-T178 WeakPolarHBondContact CG2-O 3.36Å; G176-T178 PolarHBondContact O-N 3.45Å
179P47.2Very low49.6Very low67 Ų6775 Ų7544%0.43543%0.427SS..  trans-52150.2-172.221.9-34.7000111.6G177 R181 S182G177-P179 WeakPolarHBondContact O-CD 3.44Å; P179-R181 PolarHBondContact O-N 3.1Å; P179-S182 WeakPolarHBondContact O-CA 3.33Å; P179-S182 VanDerWaalsContact O-CB 3.31Å; P179-S182 WeakPolarHBondContact O-CB 3.33Å; P179-S182 PolarHBondContact O-N 3.49Å
180L44.5Very low47.6Very low34 Ų3474.9 Ų74.918%0.17843%0.429CS..Hα-helixtrans-48-35.7-179.7-115.762.6000112A73 V174 S182 V183 F184A73-L180 HydrophobicContact CB-CB 3.81Å; A73-L180 HydrophobicContact CB-CD2 3.48Å; A73-L180 VanDerWaalsContact CB-CD2 3.48Å; A73-L180 HydrophobicContact CB-CG 4.23Å; V174-L180 HydrophobicContact CG2-CD1 3.46Å; V174-L180 VanDerWaalsContact CG2-CD1 3.46Å; L180-S182 PolarHBondContact O-N 3.04Å; L180-V183 WeakPolarHBondContact O-CB 3.19Å; L180-V183 PolarHBondContact O-N 2.85Å; L180-F184 HydrophobicContact CB-CD2 4.16Å; L180-F184 HydrophobicContact CB-CE2 4.1Å; L180-F184 HydrophobicContact CD2-CE2 3.96Å; L180-F184 HydrophobicContact CG-CD2 4.37Å; L180-F184 HydrophobicContact CG-CE2 3.85Å; L180-F184 WeakPolarHBondContact O-CD2 3.49Å; L180-F184 PolarHBondContact O-N 2.91Å
181R40.3Very low45.6Very low152 Ų15278.2 Ų78.257%0.57444%0.441SS*.Hα-helixtrans-56.3-29174-48.5-177.194.7-158.36.3114.4E76 P179 R185E76-R181 IonicContact OE1-NH2 3.87Å; E76-R181 IonicContact OE2-CZ 3.2Å; E76-R181 IonicContact OE2-NE 2.82Å; E76-R181 PolarHBondContact OE2-NE 3.49Å; E76-R181 IonicContact OE2-NH2 2.75Å; E76-R181 PolarHBondContact OE2-NH2 2.74Å; P179-R181 PolarHBondContact O-N 3.1Å; R181-R185 WeakPolarHBondContact O-CB 3.47Å; R181-R185 PolarHBondContact O-N 3.4Å
182S38.1Very low43.9Very low56 Ų5679 Ų7939%0.39245%0.449SS..Hα-helixtrans-80-32.6174.6-64.10000112.9P179 L180 R186P179-S182 WeakPolarHBondContact O-CA 3.33Å; P179-S182 VanDerWaalsContact O-CB 3.31Å; P179-S182 WeakPolarHBondContact O-CB 3.33Å; P179-S182 PolarHBondContact O-N 3.49Å; L180-S182 PolarHBondContact O-N 3.04Å; S182-R186 PolarHBondContact O-N 2.93Å
183V48.1Very low42.2Very low50 Ų5078.5 Ų78.530%0.30345%0.45SS..Hα-helixtrans-68.7-50.3170.3177.90000108.9L180 R185 R186 L187L180-V183 WeakPolarHBondContact O-CB 3.19Å; L180-V183 PolarHBondContact O-N 2.85Å; V183-R185 PolarHBondContact O-N 3.21Å; V183-R186 WeakPolarHBondContact O-CB 3.16Å; V183-R186 PolarHBondContact O-N 2.91Å; V183-R186 VanDerWaalsContact O-N 3.1Å; V183-L187 HydrophobicContact CG1-CD1 3.77Å; V183-L187 WeakPolarHBondContact O-CD1 3.35Å; V183-L187 WeakPolarHBondContact O-CG 3.41Å; V183-L187 PolarHBondContact O-N 2.92Å
184F49.5Very low41.1Very low21 Ų2179.6 Ų79.69%0.09246%0.458CS..Hα-helixtrans-62.2-42.6177-72.8-59.1000113.9A73 A77 V125 L180 R186 L187 V188A73-F184 HydrophobicContact CB-CE2 4.3Å; A77-F184 HydrophobicContact CB-CD1 3.98Å; A77-F184 HydrophobicContact CB-CD2 4.43Å; A77-F184 HydrophobicContact CB-CE1 4Å; A77-F184 HydrophobicContact CB-CE2 4.43Å; A77-F184 HydrophobicContact CB-CG 4.23Å; A77-F184 HydrophobicContact CB-CZ 4.23Å; V125-F184 HydrophobicContact CG2-CD1 4.28Å; V125-F184 HydrophobicContact CG2-CE1 3.47Å; V125-F184 VanDerWaalsContact CG2-CE1 3.47Å; V125-F184 HydrophobicContact CG2-CZ 4.13Å; L180-F184 HydrophobicContact CB-CD2 4.16Å; L180-F184 HydrophobicContact CB-CE2 4.1Å; L180-F184 HydrophobicContact CD2-CE2 3.96Å; L180-F184 HydrophobicContact CG-CD2 4.37Å; L180-F184 HydrophobicContact CG-CE2 3.85Å; L180-F184 WeakPolarHBondContact O-CD2 3.49Å; L180-F184 PolarHBondContact O-N 2.91Å; F184-R186 PolarHBondContact O-N 3.31Å; F184-L187 HydrophobicContact CD1-CD1 3.98Å; F184-L187 HydrophobicContact CE1-CD1 4.3Å; F184-L187 PolarHBondContact O-N 3.47Å; F184-L187 VanDerWaalsContact O-N 3.12Å; F184-V188 WeakPolarHBondContact O-CB 3.24Å; F184-V188 WeakPolarHBondContact O-CG2 3.12Å; F184-V188 PolarHBondContact O-N 2.75Å
185R40.5Very low40.3Very low177 Ų17783.7 Ų83.767%0.66847%0.474SS*.Hα-helixtrans-61.5-28.9173.9-172.5-176.1-63.5174-0.8112.7R181 V183R181-R185 WeakPolarHBondContact O-CB 3.47Å; R181-R185 PolarHBondContact O-N 3.4Å; V183-R185 PolarHBondContact O-N 3.21Å
186R38.5Very low40.5Very low209 Ų20984.2 Ų84.279%0.78946%0.464SS*.Hα-helixtrans-74.4-42.9171.8-99.2179.4170.2172.5-3.3112.2S182 V183 F184 Q189 V190S182-R186 PolarHBondContact O-N 2.93Å; V183-R186 WeakPolarHBondContact O-CB 3.16Å; V183-R186 PolarHBondContact O-N 2.91Å; V183-R186 VanDerWaalsContact O-N 3.1Å; F184-R186 PolarHBondContact O-N 3.31Å; R186-Q189 WeakPolarHBondContact O-CB 3.27Å; R186-Q189 PolarHBondContact O-N 3.45Å; R186-Q189 VanDerWaalsContact O-N 3.1Å; R186-V190 WeakPolarHBondContact O-CG2 2.98Å; R186-V190 PolarHBondContact O-N 2.82Å
187L37Very low40.3Very low38 Ų3882.1 Ų82.120%0.19944%0.437CS..Hα-helixtrans-66-41.7-178.5-68.8159000113W121 V183 F184 Q189 V190W121-L187 HydrophobicContact CB-CD1 3.26Å; W121-L187 HydrophobicContact CB-CD2 3.98Å; W121-L187 HydrophobicContact CB-CG 4.26Å; W121-L187 HydrophobicContact CG-CD1 4.02Å; V183-L187 HydrophobicContact CG1-CD1 3.77Å; V183-L187 WeakPolarHBondContact O-CD1 3.35Å; V183-L187 WeakPolarHBondContact O-CG 3.41Å; V183-L187 PolarHBondContact O-N 2.92Å; F184-L187 HydrophobicContact CD1-CD1 3.98Å; F184-L187 HydrophobicContact CE1-CD1 4.3Å; F184-L187 PolarHBondContact O-N 3.47Å; F184-L187 VanDerWaalsContact O-N 3.12Å; L187-Q189 PolarHBondContact O-N 2.95Å; L187-Q189 VanDerWaalsContact O-N 3.17Å; L187-V190 PolarHBondContact O-N 2.83Å; L187-V190 VanDerWaalsContact O-N 3.14Å
188V37.5Very low40.1Very low54 Ų5480.6 Ų80.633%0.32742%0.415SS..THydrogen-bonded Turntrans-60-21.1172.2161.30000112.7R84 F184R84-V188 VanDerWaalsContact NH1-CG1 3.3Å; R84-V188 VanDerWaalsContact NH2-CG1 3.28Å; F184-V188 WeakPolarHBondContact O-CB 3.24Å; F184-V188 WeakPolarHBondContact O-CG2 3.12Å; F184-V188 PolarHBondContact O-N 2.75Å
189Q36.2Very low40Very low146 Ų14679.6 Ų79.668%0.68241%0.407SS*.THydrogen-bonded Turntrans-96.20.5-179.5-13877.263.800113.6R186 L187 P191R186-Q189 WeakPolarHBondContact O-CB 3.27Å; R186-Q189 PolarHBondContact O-N 3.45Å; R186-Q189 VanDerWaalsContact O-N 3.1Å; L187-Q189 PolarHBondContact O-N 2.95Å; L187-Q189 VanDerWaalsContact O-N 3.17Å; Q189-P191 WeakPolarHBondContact O-CD 3.35Å
190V36.3Very low39.5Very low75 Ų7579.7 Ų79.746%0.45541%0.407SS..SBendtrans-84.5117.3177.4-176.70000109.8R186 L187 V193R186-V190 WeakPolarHBondContact O-CG2 2.98Å; R186-V190 PolarHBondContact O-N 2.82Å; L187-V190 PolarHBondContact O-N 2.83Å; L187-V190 VanDerWaalsContact O-N 3.14Å; V190-V193 HydrophobicContact CB-CG2 4.24Å; V190-V193 HydrophobicContact CG1-CG2 4.25Å
191P31Very low39.2Very low123 Ų12381.8 Ų81.880%0.79943%0.425SS*.THydrogen-bonded Turntrans-61.1143.4171.9-1932.6000111Q189Q189-P191 WeakPolarHBondContact O-CD 3.35Å
192G38.9Very low39Very low24 Ų2478.5 Ų78.525%0.24742%0.418CS..THydrogen-bonded Turntrans98.2-22.5173.900000117A194 E195 H196G192-A194 PolarHBondContact O-N 3.48Å; G192-E195 PolarHBondContact O-N 2.96Å; G192-H196 PolarHBondContact O-N 2.72Å
193V39.4Very low39.1Very low31 Ų3179.9 Ų79.919%0.18842%0.415CS..Hα-helixtrans-64.8-34174.8-179.50000111.2V190 V197V190-V193 HydrophobicContact CB-CG2 4.24Å; V190-V193 HydrophobicContact CG1-CG2 4.25Å; V193-V197 WeakPolarHBondContact O-CG2 3.31Å
194A37Very low38.2Very low34 Ų3484 Ų8428%0.28143%0.43SS..Hα-helixtrans-60.5-47.5173.100000112.8Y85 G192 C198Y85-A194 HydrophobicContact CE1-CB 3.49Å; Y85-A194 VanDerWaalsContact CE1-CB 3.49Å; Y85-A194 WeakPolarHBondContact OH-CB 3.45Å; G192-A194 PolarHBondContact O-N 3.48Å; A194-C198 VanDerWaalsContact O-CB 3.25Å; A194-C198 WeakPolarHBondContact O-CB 3.37Å; A194-C198 PolarHBondContact O-N 2.94Å; A194-C198 PolarHBondContact O-SG 3.31Å
195E37.5Very low37.6Very low137 Ų13788.2 Ų88.264%0.6446%0.458SS*.Hα-helixtrans-73.5-44.7-165.3-71.2165.5130.700111.3G192 V197 C198 D199G192-E195 PolarHBondContact O-N 2.96Å; E195-V197 PolarHBondContact O-N 3.49Å; E195-C198 PolarHBondContact O-N 3.34Å; E195-D199 PolarHBondContact O-N 3.28Å; E195-D199 VanDerWaalsContact O-N 3.07Å
196H44.1Very low37.1Very low114 Ų11488.3 Ų88.353%0.52847%0.466SS..Hα-helixtrans-68.5-30.2179.4-76.462000113.9G192G192-H196 PolarHBondContact O-N 2.72Å
197V41.1Very low37Very low33 Ų3384 Ų8420%0.246%0.463CS..Hα-helixtrans-85.6-14.7-179.3-175.60000112.1F81 F89 L114 A126 V193 E195F81-V197 HydrophobicContact CZ-CG1 4.05Å; F89-V197 HydrophobicContact CE2-CG1 4.36Å; L114-V197 HydrophobicContact CD1-CG1 4.36Å; L114-V197 HydrophobicContact CD1-CG2 4.01Å; A126-V197 HydrophobicContact CB-CG1 4.06Å; V193-V197 WeakPolarHBondContact O-CG2 3.31Å; E195-V197 PolarHBondContact O-N 3.49Å
198C38.4Very low37Very low32 Ų3290.4 Ų90.422%0.21649%0.492CS..Hα-helixtrans-115.73.8-176.8-59.40000113.9Y85 A88 A194 E195 P200Y85-C198 WeakPolarHBondContact CD1-SG 3.23Å; A88-C198 HydrophobicContact CB-CB 3.57Å; A88-C198 VanDerWaalsContact CB-SG 3.57Å; A194-C198 VanDerWaalsContact O-CB 3.25Å; A194-C198 WeakPolarHBondContact O-CB 3.37Å; A194-C198 PolarHBondContact O-N 2.94Å; A194-C198 PolarHBondContact O-SG 3.31Å; E195-C198 PolarHBondContact O-N 3.34Å; C198-P200 VanDerWaalsContact O-CD 3.29Å; C198-P200 WeakPolarHBondContact O-CD 3.06Å
199D39.4Very low37Very low65 Ų6591.2 Ų91.235%0.34851%0.511SS..  trans-70.3121.2-179.3-162.3-44.9000110.9E195 S201 L202E195-D199 PolarHBondContact O-N 3.28Å; E195-D199 VanDerWaalsContact O-N 3.07Å; D199-S201 VanDerWaalsContact C-N 3.3Å; D199-S201 PolarHBondContact O-N 2.72Å; D199-S201 WeakPolarHBondContact OD1-CB 3.47Å; D199-S201 PolarHBondContact OD1-N 2.94Å; D199-S201 PolarHBondContact OD1-OG 3.45Å; D199-L202 HydrophobicContact CB-CD1 4.22Å; D199-L202 HydrophobicContact CB-CG 4.5Å
200P36.7Very low37.1Very low69 Ų6989.5 Ų89.545%0.44852%0.515SS..G310 helixtrans-60-37175.5-2839.3000114.5C198 L202 W203 E204C198-P200 VanDerWaalsContact O-CD 3.29Å; C198-P200 WeakPolarHBondContact O-CD 3.06Å; P200-L202 VanDerWaalsContact C-N 3.26Å; P200-L202 PolarHBondContact O-N 2.78Å; P200-W203 HydrophobicContact CB-CH2 3.75Å; P200-W203 HydrophobicContact CB-CZ2 3.45Å; P200-W203 VanDerWaalsContact CB-CZ2 3.45Å; P200-W203 HydrophobicContact CG-CZ2 4.17Å; P200-W203 PolarHBondContact O-N 2.95Å; P200-W203 VanDerWaalsContact O-N 3.16Å; P200-E204 PolarHBondContact O-N 3.17Å
201S37.8Very low37.3Very low78 Ų7894.2 Ų94.255%0.54553%0.532SS..G310 helixtrans-76.1-11.2-170.765.60000114.2D199D199-S201 VanDerWaalsContact C-N 3.3Å; D199-S201 PolarHBondContact O-N 2.72Å; D199-S201 WeakPolarHBondContact OD1-CB 3.47Å; D199-S201 PolarHBondContact OD1-N 2.94Å; D199-S201 PolarHBondContact OD1-OG 3.45Å
202L36.8Very low37.9Very low82 Ų8294.8 Ų94.843%0.42953%0.533SS..G310 helixtrans-81.5-12.9170.9-81.8170.5000113.5D199 P200D199-L202 HydrophobicContact CB-CD1 4.22Å; D199-L202 HydrophobicContact CB-CG 4.5Å; P200-L202 VanDerWaalsContact C-N 3.26Å; P200-L202 PolarHBondContact O-N 2.78Å
203W39.2Very low38.1Very low86 Ų86102 Ų10233%0.32656%0.56SS.*THydrogen-bonded Turntrans-118.4-5.7175.156.4-113.2000114.5Q95 P200 V205Q95-W203 VanDerWaalsContact CD-CZ3 3.5Å; Q95-W203 VanDerWaalsContact NE2-CZ3 3.32Å; P200-W203 HydrophobicContact CB-CH2 3.75Å; P200-W203 HydrophobicContact CB-CZ2 3.45Å; P200-W203 VanDerWaalsContact CB-CZ2 3.45Å; P200-W203 HydrophobicContact CG-CZ2 4.17Å; P200-W203 PolarHBondContact O-N 2.95Å; P200-W203 VanDerWaalsContact O-N 3.16Å; W203-V205 PolarHBondContact O-N 3.13Å
204E28.6Very low38.7Very low135 Ų135102.9 Ų102.963%0.63158%0.576SS**  trans-61.2108.7168.1-79.3-167.5159.800108.7P200 E206P200-E204 PolarHBondContact O-N 3.17Å; E204-E206 PolarHBondContact O-N 3.02Å; E204-E206 VanDerWaalsContact O-N 3.1Å
205V37.8Very low39.4Very low111 Ų111107 Ų10767%0.67360%0.6SS**  trans-60117.2171.2-167.50000106.3W203 T207W203-V205 PolarHBondContact O-N 3.13Å; V205-T207 HydrophobicContact CB-CG2 4.37Å; V205-T207 HydrophobicContact CG1-CG2 4.07Å; V205-T207 PolarHBondContact O-N 2.91Å
206E30.1Very low39.7Very low178 Ų178106.3 Ų106.383%0.83261%0.607SS**  trans-63.782.2157.4-77.1-167.6122.200107.2E204 E208E204-E206 PolarHBondContact O-N 3.02Å; E204-E206 VanDerWaalsContact O-N 3.1Å; E206-E208 PolarHBondContact O-N 3.35Å
207T36.7Very low40.1Very low120 Ų120109.8 Ų109.874%0.73662%0.624SS**  trans-68.276.1154.251.50000105.9V205 G209V205-T207 HydrophobicContact CB-CG2 4.37Å; V205-T207 HydrophobicContact CG1-CG2 4.07Å; V205-T207 PolarHBondContact O-N 2.91Å; T207-G209 VanDerWaalsContact C-N 3.27Å; T207-G209 PolarHBondContact O-N 3.13Å
208E36.7Very low40.3Very low172 Ų172116.4 Ų116.480%0.80466%0.657SS**  trans-52.2102.1161.3-110.2-166.1111.500105.7E206 S210E206-E208 PolarHBondContact O-N 3.35Å; E208-S210 PolarHBondContact O-N 2.73Å
209G38Very low40.8Very low70 Ų70126.5 Ų126.572%0.72271%0.708SS**  trans-61.2106.9175.900000106.5T207 E211T207-G209 VanDerWaalsContact C-N 3.27Å; T207-G209 PolarHBondContact O-N 3.13Å; G209-E211 VanDerWaalsContact C-N 3.27Å; G209-E211 PolarHBondContact O-N 2.86Å
210S36.7Very low40.9Very low111 Ų111129.6 Ų129.678%0.77673%0.726SS**  trans-54.9101.2164.8-78.30000106.9E208 V212E208-S210 PolarHBondContact O-N 2.73Å; S210-V212 VanDerWaalsContact C-N 3.35Å; S210-V212 WeakPolarHBondContact O-CG2 3.43Å; S210-V212 PolarHBondContact O-N 3.1Å
211E40.9Very low41.1Very low173 Ų173132.8 Ų132.881%0.80874%0.741SS**  trans-60.2101.7176.6-174.91679900106.4G209 Q213G209-E211 VanDerWaalsContact C-N 3.27Å; G209-E211 PolarHBondContact O-N 2.86Å; E211-Q213 PolarHBondContact O-N 2.87Å
212V44.4Very low41.3Very low135 Ų135135.8 Ų135.882%0.81875%0.751SS**  trans-68.592.3-179.2-1780000106.4S210 G214S210-V212 VanDerWaalsContact C-N 3.35Å; S210-V212 WeakPolarHBondContact O-CG2 3.43Å; S210-V212 PolarHBondContact O-N 3.1Å; V212-G214 VanDerWaalsContact C-N 3.3Å; V212-G214 PolarHBondContact O-N 2.91Å
213Q42Very low41.5Very low175 Ų175139 Ų13982%0.81877%0.77SS**  trans-64.694.6179.4-168.5153.270.700108.2E211E211-Q213 PolarHBondContact O-N 2.87Å
214G53.3Low41.7Very low51 Ų51142.3 Ų142.353%0.52680%0.798SS.*PPolyproline II helixtrans-58.4147.6-178.600000110.9V212V212-G214 VanDerWaalsContact C-N 3.3Å; V212-G214 PolarHBondContact O-N 2.91Å
215P51.1Low42.5Very low119 Ų119142.8 Ų142.877%0.77381%0.809SS**PPolyproline II helixtrans-61.2147.5-179.327.2-34.7000110.5Q217P215-Q217 PolarHBondContact O-N 3.43Å
216P44.6Very low42.9Very low123 Ų123145.1 Ų145.180%0.79982%0.819SS**PPolyproline II helixtrans-62.6128-177.526-34.1000110.5L218P216-L218 PolarHBondContact O-N 3.11Å
217Q52.3Low43.9Very low188 Ų188142.5 Ų142.588%0.87982%0.818SS**PPolyproline II helixtrans-63.7125.6172.5-70.9-79.841.200109.5P215P215-Q217 PolarHBondContact O-N 3.43Å
218L45Very low44.5Very low172 Ų172144.4 Ų144.490%0.90183%0.825SS**PPolyproline II helixtrans-75.4133.6170.3-71.3169.1000109.8P216P216-L218 PolarHBondContact O-N 3.11Å
219L48.6Very low45.2Very low244 Ų244141.9 Ų141.9100%1.27783%0.827SS**  trans-132.10170.4-115.4170.1000108.6

Retrieved 219 of 219 residues in 481.4 ms (Link to these results)