A0A077Z5J9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z5J9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 344 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.4Very low47.6Very low240 Ų240139.5 Ų139.5100%1.18276%0.756SS**  0100.90-59.2-165.197.600107.6
2S42.5Very low47.7Very low118 Ų118146.3 Ų146.383%0.82576%0.763SS**  trans-87.5123.3-174.3-56.50000110.6
3S41.4Very low48Very low96 Ų96151 Ų15167%0.67176%0.764SS**  trans-62.9146.1-171.3-52.40000113G5S3-G5 PolarHBondContact O-N 2.91Å
4P52.2Low47.9Very low124 Ų124150.9 Ų150.981%0.80577%0.766SS**THydrogen-bonded Turntrans-72.46.5-166.5-1531000115.9
5G49.4Very low47.8Very low50 Ų50147.4 Ų147.452%0.51576%0.761SS.*THydrogen-bonded Turntrans-80.3-26.2-176.600000115S3S3-G5 PolarHBondContact O-N 2.91Å
6E49.1Very low47.5Very low159 Ų159150.9 Ų150.974%0.74377%0.769SS**SBendtrans-85.2-21-171.1-73.9-172.9143.600114.3K8 F9E6-K8 PolarHBondContact O-N 2.99Å; E6-F9 PolarHBondContact O-N 2.96Å
7K50.6Low47.2Very low185 Ų185156.5 Ų156.580%0.80478%0.779SS**Hα-helixtrans-71.5-27.8179.7-77.6-174.6176.9-179.90113.6F9 A10K7-F9 VanDerWaalsContact C-N 3.3Å; K7-F9 PolarHBondContact O-N 2.99Å; K7-A10 PolarHBondContact O-N 2.87Å
8K50Low47.1Very low172 Ų172158.6 Ų158.675%0.74878%0.782SS**Hα-helixtrans-74.6-14.9178.3-79.4-169176.6-179.50114.5E6E6-K8 PolarHBondContact O-N 2.99Å
9F50.3Low47Very low157 Ų157155.7 Ų155.769%0.68978%0.779SS**Hα-helixtrans-87.5-22.9176.4-82.9-79.9000113.7E6 K7E6-F9 PolarHBondContact O-N 2.96Å; K7-F9 VanDerWaalsContact C-N 3.3Å; K7-F9 PolarHBondContact O-N 2.99Å
10A50.4Low46.9Very low67 Ų67158.2 Ų158.255%0.55479%0.785SS**Hα-helixtrans-75.6-37.2176.900000112.1K7 R12 R13K7-A10 PolarHBondContact O-N 2.87Å; A10-R12 VanDerWaalsContact C-N 3.33Å; A10-R12 PolarHBondContact O-N 3.3Å; A10-R13 PolarHBondContact O-N 3.09Å
11E46Very low46.7Very low166 Ų166156.5 Ų156.578%0.77678%0.784SS**Hα-helixtrans-75.7-21.7-173.8-153.8164.5-157.600113.4R13E11-R13 VanDerWaalsContact C-N 3.28Å; E11-R13 PolarHBondContact O-N 3.43Å
12R49.4Very low47Very low222 Ų222154.9 Ų154.984%0.83877%0.765SS**THydrogen-bonded Turntrans-77.5-8176.6-111.3-179.9167.4-172.9-3.1114.7A10A10-R12 VanDerWaalsContact C-N 3.33Å; A10-R12 PolarHBondContact O-N 3.3Å
13R51.8Low46.8Very low207 Ų207158 Ų15878%0.78177%0.766SS**THydrogen-bonded Turntrans-88.7-11.1-176.2-75.6-172.4-179157.14.3115A10 E11A10-R13 PolarHBondContact O-N 3.09Å; E11-R13 VanDerWaalsContact C-N 3.28Å; E11-R13 PolarHBondContact O-N 3.43Å
14N46Very low46.6Very low149 Ų149160.5 Ų160.580%0.79777%0.767SS**SBendtrans-106.80.4-173.5-72.4-11000116.4
15S46.5Very low46Very low99 Ų99159.7 Ų159.769%0.69276%0.764SS**SBendtrans-100.68.4-178.290.90000117
16K43.8Very low45.6Very low204 Ų204164.3 Ų164.389%0.88778%0.777SS**  trans-118.654.2176.3-72.9-171.7178.9-1780113.2
17R41.3Very low45.1Very low246 Ų246161.4 Ų161.493%0.92878%0.775SS**  trans-105.259156.8-120.3-177.8179.3-176.3-1108.6S19R17-S19 PolarHBondContact O-N 3.12Å
18K45.3Very low44.5Very low194 Ų194156.8 Ų156.884%0.84377%0.771SS**  trans-79105.4164.7-81.6-169.1176-174.20107.3F20K18-F20 PolarHBondContact O-N 3.15Å; K18-F20 VanDerWaalsContact O-N 3.07Å
19S46.5Very low44Very low104 Ų104153.8 Ų153.873%0.72777%0.767SS**  trans-44.3105.5165.646.80000110.3R17 T21R17-S19 PolarHBondContact O-N 3.12Å; S19-T21 PolarHBondContact O-N 2.71Å
20F43.6Very low43.4Very low204 Ų204155.1 Ų155.190%0.89577%0.772SS**  trans-91.190.8165.8-136.5-91.5000106.8K18 R22K18-F20 PolarHBondContact O-N 3.15Å; K18-F20 VanDerWaalsContact O-N 3.07Å; F20-R22 PolarHBondContact O-N 3.16Å; F20-R22 VanDerWaalsContact O-N 3.08Å
21T43.2Very low42.8Very low123 Ų123159.9 Ų159.976%0.75578%0.783SS**  trans-66.4103172.9-37.30000107.2S19 Q23S19-T21 PolarHBondContact O-N 2.71Å; T21-Q23 PolarHBondContact O-N 3.22Å
22R46.8Very low42.3Very low207 Ų207159.5 Ų159.578%0.78179%0.786SS**  trans-72.297.9178.8-174.1179.3-179.6-149.8-1.2108.4F20 Q24F20-R22 PolarHBondContact O-N 3.16Å; F20-R22 VanDerWaalsContact O-N 3.08Å; R22-Q24 PolarHBondContact O-N 3.27Å
23Q38.6Very low41.8Very low184 Ų184155.3 Ų155.386%0.8679%0.785SS**  trans-57.7109.3163.9-80.9-177.1-12.100108.1T21 S25T21-Q23 PolarHBondContact O-N 3.22Å; Q23-S25 PolarHBondContact O-N 3.46Å
24Q38.8Very low41Very low147 Ų147154.5 Ų154.569%0.68779%0.787SS**  trans-80.289.2168-72.5179.9-26.500107.3R22 N26R22-Q24 PolarHBondContact O-N 3.27Å; Q24-N26 PolarHBondContact O-N 3.32Å
25S39.3Very low40.5Very low107 Ų107151.5 Ų151.575%0.74878%0.783SS**  trans-75.698161.438.90000107.8Q23 S27Q23-S25 PolarHBondContact O-N 3.46Å; S25-S27 PolarHBondContact O-N 3.36Å
26N39.3Very low39.9Very low147 Ų147154 Ų15479%0.78679%0.789SS**  trans-68.580165.4-70-29.6000108.4Q24 A28Q24-N26 PolarHBondContact O-N 3.32Å; N26-A28 VanDerWaalsContact C-N 3.34Å; N26-A28 PolarHBondContact O-N 3.47Å
27S40Very low39.4Very low99 Ų99148.7 Ų148.769%0.69278%0.783SS**  trans-75.293.516760.70000108S25 V29S25-S27 PolarHBondContact O-N 3.36Å; S27-V29 VanDerWaalsContact C-N 3.3Å; S27-V29 PolarHBondContact O-N 3.49Å
28A38.5Very low39.1Very low87 Ų87141.4 Ų141.472%0.71978%0.776SS**  trans-64.893.4165.500000107.9N26 K30N26-A28 VanDerWaalsContact C-N 3.34Å; N26-A28 PolarHBondContact O-N 3.47Å; A28-K30 VanDerWaalsContact C-N 3.31Å; A28-K30 PolarHBondContact O-N 2.9Å
29V38.7Very low38.9Very low110 Ų110137.3 Ų137.367%0.66777%0.769SS**  trans-69.996.5167178.40000106.1S27 E31S27-V29 VanDerWaalsContact C-N 3.3Å; S27-V29 PolarHBondContact O-N 3.49Å; V29-E31 HydrophobicContact CG1-CG 4.07Å; V29-E31 PolarHBondContact O-N 3.23Å
30K36.9Very low38.6Very low184 Ų184139.1 Ų139.180%0.878%0.776SS**  trans-74.194.7163.2-65.2-176.4-178.7-177.70106.1A28A28-K30 VanDerWaalsContact C-N 3.31Å; A28-K30 PolarHBondContact O-N 2.9Å
31E39.3Very low38.2Very low167 Ų167136.8 Ų136.878%0.7877%0.772SS**  trans-86.2117.8163.1-98178.9161.600108.3V29 V33V29-E31 HydrophobicContact CG1-CG 4.07Å; V29-E31 PolarHBondContact O-N 3.23Å; E31-V33 PolarHBondContact O-N 3.09Å
32D34.7Very low37.8Very low159 Ų159142.8 Ų142.885%0.8578%0.781SS**  trans-61.895.6179.2-67.3-50.7000110.6K34D32-K34 VanDerWaalsContact C-N 3.35Å; D32-K34 PolarHBondContact O-N 2.94Å
33V38.5Very low37.2Very low134 Ų134140.4 Ų140.481%0.81278%0.782SS**  trans-73.695.8168-179.30000108E31 A35E31-V33 PolarHBondContact O-N 3.09Å; V33-A35 VanDerWaalsContact C-N 3.35Å; V33-A35 PolarHBondContact O-N 2.76Å
34K35.5Very low36.8Very low189 Ų189139.8 Ų139.882%0.82278%0.779SS**  trans-59.490.7171.2-147.3173.6-170.1176.30109.4D32 N36D32-K34 VanDerWaalsContact C-N 3.35Å; D32-K34 PolarHBondContact O-N 2.94Å; K34-N36 PolarHBondContact O-N 3.5Å
35A35.8Very low36.6Very low86 Ų86138.8 Ų138.871%0.71179%0.785SS**  trans-82.6101.2172.800000109.8V33V33-A35 VanDerWaalsContact C-N 3.35Å; V33-A35 PolarHBondContact O-N 2.76Å
36N32.9Very low36.3Very low152 Ų152143 Ų14381%0.81379%0.79SS**  trans-152.8126.9163.8-77.8-39.3000104.9K34K34-N36 PolarHBondContact O-N 3.5Å
37A33.5Very low36.1Very low92 Ų92142.3 Ų142.376%0.7679%0.792SS**  cis-149.2141.420.700000109.2
38A34.4Very low35.7Very low94 Ų94146 Ų14678%0.77780%0.798SS**  trans-73.8130.8171.600000110T40A38-T40 PolarHBondContact O-N 3.4Å
39P41.6Very low35.4Very low108 Ų108148.4 Ų148.470%0.70179%0.794SS**  trans-74.3114.6166.727.7-28.8000109N41P39-N41 PolarHBondContact O-N 2.99Å
40T39.8Very low35Very low142 Ų142151.2 Ų151.287%0.87180%0.797SS**  trans-56.799.8167.421.80000110A38 R42A38-T40 PolarHBondContact O-N 3.4Å; T40-R42 PolarHBondContact O-N 3.11Å
41N36.8Very low34.9Very low154 Ų154152.5 Ų152.582%0.82480%0.803SS**  trans-69.1108168.4-77.2-39.6000108.8P39P39-N41 PolarHBondContact O-N 2.99Å
42R34.8Very low34.6Very low249 Ų249152.4 Ų152.494%0.9480%0.803SS**PPolyproline II helixtrans-67.3142.8168.7-104.8178.2175.5159.8-2.2110.2T40T40-R42 PolarHBondContact O-N 3.11Å
43I34.3Very low34.7Very low158 Ų158154 Ų15481%0.8181%0.807SS**PPolyproline II helixtrans-72.2146.3-167.5-68.4158.3000112.5
44H29Very low34.5Very low171 Ų171156.1 Ų156.179%0.79281%0.805SS**PPolyproline II helixtrans-47.7148.2170.1-66.2-91.7000116.1
45P34.5Very low34.5Very low125 Ų125153.9 Ų153.981%0.81281%0.808SS**  trans-106.7134.6137.630.3-18.6000110.9
46K32.5Very low34.5Very low195 Ų195159 Ų15985%0.84881%0.814SS**  trans-85150172.6-68.2172.5173.1178.10110.5
47T36.4Very low34.7Very low134 Ų134156.7 Ų156.782%0.82282%0.816SS**  trans-160.4106.515229.20000104.7
48E31.4Very low34.7Very low177 Ų177159.5 Ų159.583%0.82782%0.818SS**  42129.784.4-75.9-175.4166.100112.3
49E31.2Very low34.7Very low137 Ų137163.3 Ų163.364%0.6482%0.82SS**  cis-167.115024.3-139.6-169.6156.700110
50K30.2Very low34.4Very low169 Ų169167.6 Ų167.674%0.73583%0.831SS**  trans37.4128.2146.9-72170-170157.90121.7
51K36.6Very low34.2Very low211 Ų211170 Ų17092%0.91783%0.829SS**  -157.4111.4117.2-106.2170.4-171.9-178.80110.8
52E32.5Very low34Very low165 Ų165170.3 Ų170.377%0.77183%0.83SS**  trans-67.7134.1163.6-70.6177.312300109.6
53M37.2Very low33.9Very low193 Ų193164.2 Ų164.295%0.95183%0.826SS**  trans-134.5110.5146.2-87.2-169.4172.400108.4
54K33Very low33.8Very low177 Ų177161.4 Ų161.477%0.7782%0.82SS**  trans-72.8129.3166.3-80.9167.5171.9160.80108.8
55T36.4Very low34Very low143 Ų143159.8 Ų159.888%0.87782%0.822SS**  trans-131.5116.1149.735.40000108.3
56K35.2Very low33.9Very low193 Ų193158 Ų15884%0.83981%0.812SS**  trans-73.4137.3170.1-65.6178.5172.8-173.80108
57A36.8Very low33.8Very low103 Ų103157.6 Ų157.685%0.85181%0.813SS**  trans-129.9120.615400000106.6
58D34.2Very low33.8Very low152 Ų152157.1 Ų157.181%0.81382%0.816SS**  trans-65.7155.9-170.2-92.2-49.5000113.9
59E33.5Very low34Very low173 Ų173151.7 Ų151.781%0.80881%0.807SS**  trans-58.9128.4177.3-55.4-176.2147.300112.8
60E36.6Very low34.3Very low198 Ų198157.3 Ų157.393%0.92582%0.822SS**  trans-114.7137.3147.5-86.9-162.6155.200111
61K35.1Very low34.9Very low192 Ų192156.2 Ų156.284%0.83582%0.824SS**  trans-80.1130.4-157.2-70.3170.8175.6173.60112.9
62L32.5Very low35.1Very low161 Ų161151.3 Ų151.384%0.84382%0.816SS**  trans-19.9124.2147.6-63.3152.9000115.9
63S32.9Very low35.5Very low122 Ų122152.9 Ų152.985%0.85382%0.821SS**  trans-129.593.813879.90000109.4
64S32.1Very low35.8Very low98 Ų98150 Ų15069%0.68581%0.808SS**  trans-87.9124.4174.452.10000110.5
65T33.7Very low35.9Very low137 Ų137148.2 Ų148.284%0.8481%0.807SS**  trans-136.691.6161.8-44.80000111.4
66S31.2Very low36.1Very low87 Ų87148.8 Ų148.861%0.60880%0.798SS**  trans39.2108.9137.6-160.50000120.6
67H30.4Very low36.4Very low188 Ų188145 Ų14587%0.8779%0.791SS**  163.586.9112.9-90.5-56.2000109
68S36.6Very low36.6Very low124 Ų124149.5 Ų149.587%0.86779%0.791SS**  trans-127.5116.8167.4-177.20000108.8
69G37.1Very low36.5Very low63 Ų63147.3 Ų147.365%0.64979%0.787SS**  trans-58.6140.1-171.300000112.2L71G69-L71 VanDerWaalsContact C-N 3.28Å; G69-L71 PolarHBondContact O-N 3.34Å
70R36.2Very low36.8Very low254 Ų254146.2 Ų146.296%0.95879%0.786SS**  trans-52.988.7167.9-80175.9164.3174.7-4.8110.1S72R70-S72 PolarHBondContact O-N 3.13Å
71L43.9Very low36.7Very low146 Ų146141.4 Ų141.476%0.76477%0.774SS**  trans-77.5103.7157.1-70.8173.8000105.7G69 F73G69-L71 VanDerWaalsContact C-N 3.28Å; G69-L71 PolarHBondContact O-N 3.34Å; L71-F73 VanDerWaalsContact C-N 3.33Å; L71-F73 WeakPolarHBondContact O-CD2 3.27Å; L71-F73 PolarHBondContact O-N 3.3Å
72S39.2Very low36.9Very low108 Ų108138 Ų13876%0.75577%0.772SS**  trans-54.297.7170.337.10000108.6R70 L74R70-S72 PolarHBondContact O-N 3.13Å; S72-L74 PolarHBondContact O-N 3.34Å
73F42.2Very low37.3Very low199 Ų199137.6 Ų137.687%0.87377%0.769SS**  trans-60.796.8165.4-74.3-82.7000107.1L71 N75L71-F73 VanDerWaalsContact C-N 3.33Å; L71-F73 WeakPolarHBondContact O-CD2 3.27Å; L71-F73 PolarHBondContact O-N 3.3Å; F73-N75 PolarHBondContact O-N 3.16Å
74L43.4Very low37.5Very low132 Ų132141 Ų14169%0.69177%0.769SS**  trans-45114162.2-78.6155.8000106.7S72 F76S72-L74 PolarHBondContact O-N 3.34Å; L74-F76 HydrophobicContact CB-CD2 3.87Å; L74-F76 HydrophobicContact CB-CE2 3.73Å; L74-F76 HydrophobicContact CD1-CE2 4.31Å; L74-F76 WeakPolarHBondContact O-CD2 3.4Å; L74-F76 PolarHBondContact O-N 3.01Å
75N35.5Very low38Very low139 Ų139140.8 Ų140.874%0.74376%0.764SS**  trans-61.580.2177.5-123.2-32.3000108.6F73 T77F73-N75 PolarHBondContact O-N 3.16Å; N75-T77 PolarHBondContact O-N 3.21Å; N75-T77 VanDerWaalsContact O-N 3.17Å; N75-T77 PolarHBondContact OD1-OG1 3.43Å; N75-T77 VanDerWaalsContact OD1-OG1 3.08Å
76F39.2Very low38.2Very low156 Ų156140 Ų14068%0.68475%0.752SS**G310 helixtrans-75.712.1175.7-88.7-77.4000112.7L74 K78L74-F76 HydrophobicContact CB-CD2 3.87Å; L74-F76 HydrophobicContact CB-CE2 3.73Å; L74-F76 HydrophobicContact CD1-CE2 4.31Å; L74-F76 WeakPolarHBondContact O-CD2 3.4Å; L74-F76 PolarHBondContact O-N 3.01Å; F76-K78 PolarHBondContact O-N 3.22Å; F76-K78 VanDerWaalsContact O-N 3.14Å
77T43Very low38.8Very low114 Ų114141.9 Ų141.970%0.69976%0.755SS**G310 helixtrans-74.13.8-179.148.40000114.5N75N75-T77 PolarHBondContact O-N 3.21Å; N75-T77 VanDerWaalsContact O-N 3.17Å; N75-T77 PolarHBondContact OD1-OG1 3.43Å; N75-T77 VanDerWaalsContact OD1-OG1 3.08Å
78K39.2Very low39.3Very low196 Ų196139.5 Ų139.585%0.85275%0.749SS**G310 helixtrans-112.73.7179.7-71.5-167.6177.6-1770116.9F76F76-K78 PolarHBondContact O-N 3.22Å; F76-K78 VanDerWaalsContact O-N 3.14Å
79C33.9Very low39.8Very low107 Ų107139.2 Ų139.272%0.72374%0.737SS**SBendtrans-129.216-179.5-66.30000115.6
80L37.8Very low39.9Very low150 Ų150143.9 Ų143.979%0.78574%0.739SS**  trans-110.878.4169.3-67.9167.1000108.1P82L80-P82 WeakPolarHBondContact O-CD 3.3Å
81S34.7Very low39.9Very low97 Ų97137.7 Ų137.768%0.67873%0.725SS**  trans-48.4122.7157.137.30000107.6L83S81-L83 PolarHBondContact O-N 2.86Å
82P41Very low39.8Very low120 Ų120135 Ų13578%0.77972%0.717SS**  trans-58.7110.7-178.6-19.629.6000108.2L80 K84L80-P82 WeakPolarHBondContact O-CD 3.3Å; P82-K84 VanDerWaalsContact C-N 3.27Å; P82-K84 PolarHBondContact O-N 3.16Å
83L40.5Very low39.8Very low152 Ų152134.3 Ų134.380%0.79671%0.707SS**  trans-57.6103.8161.6-97.788.3000105.5S81 T85S81-L83 PolarHBondContact O-N 2.86Å; L83-T85 PolarHBondContact O-N 3.39Å
84K37.4Very low39.9Very low193 Ų193130.6 Ų130.684%0.83970%0.695SS**  trans-45110.9165.9-88.1172.9167.61770108.1P82P82-K84 VanDerWaalsContact C-N 3.27Å; P82-K84 PolarHBondContact O-N 3.16Å
85T42.5Very low39.8Very low94 Ų94132 Ų13258%0.57770%0.703SS**  trans44.979.1142.9490000115.5L83 N87L83-T85 PolarHBondContact O-N 3.39Å; T85-N87 PolarHBondContact O-N 3.09Å
86M38Very low40.2Very low120 Ų120133.3 Ų133.359%0.59170%0.703SS**G310 helixtrans-68.45.4153-71.2-154.4-57.300112.9D88 I89M86-D88 PolarHBondContact O-N 3Å; M86-I89 PolarHBondContact O-N 3.35Å; M86-I89 VanDerWaalsContact O-N 3.13Å
87N42.2Very low40.2Very low128 Ų128131.3 Ų131.368%0.68470%0.698SS**G310 helixtrans-63.2-19.6173.9-91.34000113.5T85T85-N87 PolarHBondContact O-N 3.09Å
88D42.4Very low40Very low137 Ų137128.5 Ų128.573%0.73369%0.692SS**G310 helixtrans-83.5-13.9175.7-69.8-19.2000113.3M86M86-D88 PolarHBondContact O-N 3Å
89I47.4Very low40.1Very low119 Ų119124.6 Ų124.661%0.6168%0.684SS**THydrogen-bonded Turntrans-84.7-28.1177.4-60.2177.2000111M86 P92M86-I89 PolarHBondContact O-N 3.35Å; M86-I89 VanDerWaalsContact O-N 3.13Å; I89-P92 WeakPolarHBondContact O-CD 3.32Å
90F38.7Very low40.5Very low161 Ų161123.6 Ų123.671%0.70668%0.675SS**SBendtrans-1009.3-176.6-79.3-77.1000115.3
91N36.4Very low40.5Very low123 Ų123119 Ų11966%0.65866%0.658SS**  trans-121.430.3178.6-122.60.8000118.1
92P41.2Very low40.7Very low91 Ų91119.1 Ų119.159%0.59166%0.655SS**SBendtrans-90.8119.5155.135-24.7000108.8I89I89-P92 WeakPolarHBondContact O-CD 3.32Å
93V40Very low40.7Very low92 Ų92121.5 Ų121.556%0.55865%0.653SS**SBendtrans84.841.3159.5-150.90000117.7K96V93-K96 HydrophobicContact CG1-CB 4.13Å
94I42.8Very low40.8Very low121 Ų121121 Ų12162%0.62165%0.65SS**SBendtrans-88.5-23.3154.4-62.6178.3000111.5K96I94-K96 PolarHBondContact O-N 3.35Å; I94-K96 VanDerWaalsContact O-N 3.13Å
95N42.4Very low41Very low161 Ų161118.4 Ų118.486%0.86165%0.645SS**THydrogen-bonded Turntrans-74.71.5179.5-85.32.1000116.1
96K42.6Very low41.2Very low168 Ų168118.5 Ų118.573%0.7365%0.65SS**THydrogen-bonded Turntrans-118.1-8.6175.4-76.6-169.7177.8-174.80115.6V93 I94 T100V93-K96 HydrophobicContact CG1-CB 4.13Å; I94-K96 PolarHBondContact O-N 3.35Å; I94-K96 VanDerWaalsContact O-N 3.13Å; K96-T100 PolarHBondContact O-OG1 2.97Å
97I40Very low41.1Very low114 Ų114119.8 Ų119.859%0.58566%0.659SS**THydrogen-bonded Turntrans-94.7-23.6179.4-60.7172000111.4V99 T100 A101I97-V99 VanDerWaalsContact C-N 3.26Å; I97-V99 PolarHBondContact O-N 3.3Å; I97-T100 PolarHBondContact O-N 3.43Å; I97-A101 PolarHBondContact O-N 3.07Å
98G39.2Very low40.7Very low55 Ų55124.1 Ų124.157%0.56767%0.665SS**THydrogen-bonded Turntrans-65.1-22177.500000115.2
99V41.1Very low40.6Very low113 Ų113122.2 Ų122.269%0.68566%0.66SS**THydrogen-bonded Turntrans-92.7-20.7-179.6-175.50000112.3I97 T102I97-V99 VanDerWaalsContact C-N 3.26Å; I97-V99 PolarHBondContact O-N 3.3Å; V99-T102 PolarHBondContact O-OG1 2.94Å
100T41.5Very low40.2Very low87 Ų87124.6 Ų124.653%0.53468%0.675SS.*THydrogen-bonded Turntrans-92.7-23.2-178.6-3.70000113.3K96 I97K96-T100 PolarHBondContact O-OG1 2.97Å; I97-T100 PolarHBondContact O-N 3.43Å
101A38.6Very low39.9Very low53 Ų53127.1 Ų127.144%0.43868%0.681SS.*THydrogen-bonded Turntrans-73.2-28.5178.300000113.2I97 K103I97-A101 PolarHBondContact O-N 3.07Å; A101-K103 VanDerWaalsContact C-N 3.33Å; A101-K103 PolarHBondContact O-N 3.44Å
102T38.2Very low39.9Very low100 Ų100126 Ų12661%0.61368%0.682SS**THydrogen-bonded Turntrans-76.6-17.4179.347.10000113.7V99V99-T102 PolarHBondContact O-OG1 2.94Å
103K42.2Very low39.9Very low170 Ų170127.5 Ų127.574%0.73969%0.693SS**THydrogen-bonded Turntrans-88.4-13.2174.4-85.3-167.1173.9-170.40114.8A101A101-K103 VanDerWaalsContact C-N 3.33Å; A101-K103 PolarHBondContact O-N 3.44Å
104L42.2Very low39.7Very low141 Ų141128.8 Ų128.874%0.73871%0.706SS**SBendtrans-97-2.1-178.4-76171.7000114.3
105L41.1Very low39.2Very low139 Ų139132 Ų13273%0.72872%0.718SS**SBendtrans-92.3-8.1177.6-78.5157.7000113.7
106S47.2Very low38.7Very low96 Ų96128.1 Ų128.167%0.67172%0.716SS**SBendtrans-84.7-23.8-179.3-43.20000113.8
107D35.9Very low38.3Very low146 Ų146125.1 Ų125.178%0.78172%0.716SS**  trans-10837.1-173.1-69.3-20.4000112.8P109D107-P109 WeakPolarHBondContact O-CD 3.36Å
108R33.9Very low38.2Very low219 Ų219129.1 Ų129.183%0.82673%0.732SS**  trans-93.9105.5170.4-156.9173.6-172.9170.51109.3N110R108-N110 PolarHBondContact O-N 3.48Å
109P40.4Very low38.2Very low97 Ų97134.7 Ų134.763%0.6375%0.746SS**  trans-59.8130.6174.621.7-30.3000109.8D107 Y111D107-P109 WeakPolarHBondContact O-CD 3.36Å; P109-Y111 PolarHBondContact O-N 2.96Å
110N38.1Very low38Very low170 Ų170133.9 Ų133.991%0.90975%0.751SS**  trans-54.295.2173.6-101.9-38000109.9R108 S112R108-N110 PolarHBondContact O-N 3.48Å; N110-S112 PolarHBondContact O-N 2.97Å
111Y34Very low37.8Very low213 Ų213135.8 Ų135.884%0.83576%0.762SS**  trans-81.394.6161.4-101.7-92.2000107.4P109P109-Y111 PolarHBondContact O-N 2.96Å
112S35.2Very low37.7Very low99 Ų99138.2 Ų138.269%0.69277%0.774SS**  trans-56.2130.316148.10000108.7N110 S114N110-S112 PolarHBondContact O-N 2.97Å; S112-S114 PolarHBondContact O-N 2.87Å
113P40.6Very low37.9Very low124 Ų124139.5 Ų139.581%0.80578%0.783SS**  trans-67.2110.3-17725.8-30.6000109.3E115P113-E115 PolarHBondContact O-N 3.26Å
114S36.7Very low37.8Very low119 Ų119138.2 Ų138.283%0.83278%0.783SS**  trans-68.2113.8167.2-174.60000107.7S112S112-S114 PolarHBondContact O-N 2.87Å
115E32.8Very low37.5Very low189 Ų189140.5 Ų140.588%0.88379%0.79SS**  trans-51.6143.5167.5-62.8176.8154.800110.5P113P113-E115 PolarHBondContact O-N 3.26Å
116G30.5Very low37.4Very low78 Ų78139.7 Ų139.780%0.80479%0.791SS**  trans10379.716300000115.9
117S34.8Very low36.9Very low105 Ų105140.7 Ų140.773%0.73480%0.798SS**  trans-153.899.1138-167.60000108.4M119S117-M119 PolarHBondContact O-N 3.09Å
118E38.7Very low37Very low198 Ų198139.1 Ų139.193%0.92580%0.799SS**  trans-61.286.9167.7-69.7177.5152.200108.7A120E118-A120 PolarHBondContact O-N 2.98Å; E118-A120 VanDerWaalsContact O-N 3.15Å
119M38.8Very low37.3Very low173 Ų173137.5 Ų137.585%0.85280%0.8SS**  trans-83.395.1172.8-145.4156.4-172.800107.3S117 T121S117-M119 PolarHBondContact O-N 3.09Å; M119-T121 PolarHBondContact O-N 3.29Å
120A36.8Very low37.2Very low96 Ų96141.1 Ų141.179%0.79381%0.811SS**  trans-48.1100.8175.300000111.1E118E118-A120 PolarHBondContact O-N 2.98Å; E118-A120 VanDerWaalsContact O-N 3.15Å
121T38.4Very low37Very low127 Ų127136.7 Ų136.778%0.77981%0.806SS**PPolyproline II helixtrans-69.7122.716638.80000108.7M119M119-T121 PolarHBondContact O-N 3.29Å
122P36.2Very low37Very low104 Ų104131 Ų13168%0.67580%0.797SS**PPolyproline II helixtrans-63.3141.8172.925.2-31.6000109.9I124P122-I124 PolarHBondContact O-N 3.42Å; P122-I124 VanDerWaalsContact O-N 3.13Å
123P42.2Very low36.8Very low126 Ų126133.2 Ų133.282%0.81880%0.801SS**PPolyproline II helixtrans-63.9116.6-177.625.5-32.6000109.7E125P123-E125 PolarHBondContact O-N 2.87Å
124I39.4Very low36.4Very low144 Ų144131.6 Ų131.674%0.73879%0.793SS**  trans-76.3105.7170.4-61.4171.2000106.2P122 T126P122-I124 PolarHBondContact O-N 3.42Å; P122-I124 VanDerWaalsContact O-N 3.13Å; I124-T126 VanDerWaalsContact C-N 3.32Å; I124-T126 HydrophobicContact CG2-CG2 4.36Å; I124-T126 PolarHBondContact O-N 2.83Å
125E35.8Very low36.2Very low188 Ų188132.6 Ų132.688%0.87979%0.794SS**  trans-58.497.6166.8-70.6-170166.900108.8P123 S127P123-E125 PolarHBondContact O-N 2.87Å; E125-S127 PolarHBondContact O-N 2.72Å
126T38.8Very low36.3Very low122 Ų122129.6 Ų129.675%0.74879%0.789SS**  trans-88.491.3170270000106.8I124 S128I124-T126 VanDerWaalsContact C-N 3.32Å; I124-T126 HydrophobicContact CG2-CG2 4.36Å; I124-T126 PolarHBondContact O-N 2.83Å; T126-S128 VanDerWaalsContact C-N 3.26Å; T126-S128 PolarHBondContact O-N 2.95Å
127S36.4Very low36.4Very low117 Ų117134.6 Ų134.682%0.81880%0.796SS**  trans-70.391.6163.448.50000108.7E125 E129E125-S127 PolarHBondContact O-N 2.72Å; S127-E129 PolarHBondContact O-N 3.06Å
128S37.8Very low36.3Very low114 Ų114135 Ų13580%0.79780%0.799SS**  trans-72.691.9165.7164.50000109.1T126T126-S128 VanDerWaalsContact C-N 3.26Å; T126-S128 PolarHBondContact O-N 2.95Å
129E40.3Very low35.9Very low184 Ų184130.4 Ų130.486%0.8679%0.789SS**  trans-11765.2163.3-159.4173.8-178.900109.5S127S127-E129 PolarHBondContact O-N 3.06Å
130M39.7Very low35.6Very low173 Ų173127.9 Ų127.985%0.85278%0.783SS**  trans-112.765.3159.1-71.6-76.8-72.300106.7S132M130-S132 PolarHBondContact O-N 3.17Å
131G34.4Very low35.5Very low77 Ų77132.2 Ų132.279%0.79478%0.784SS**  trans-76.896.9172.100000109.3
132S32.6Very low35.2Very low95 Ų95137 Ų13766%0.66479%0.788SS**  trans-62.4157.4167.1-50.70000111.6M130M130-S132 PolarHBondContact O-N 3.17Å
133D30.4Very low35.2Very low145 Ų145142.4 Ų142.478%0.77580%0.795SS**  trans98.598.8151.5-54-26.6000119.8
134S32.4Very low34.8Very low90 Ų90145.4 Ų145.463%0.62980%0.795SS**  73.1108.5123.380.50000118.7T136S134-T136 PolarHBondContact O-N 3.15Å
135T34.2Very low34.7Very low140 Ų140143.6 Ų143.686%0.85980%0.795SS**  trans17.991.6133.944.70000116
136T34Very low34.7Very low126 Ų126141.7 Ų141.777%0.77379%0.789SS**  trans-129.1107.8152.2-20.90000108.5S134 S138S134-T136 PolarHBondContact O-N 3.15Å; T136-S138 PolarHBondContact O-N 2.91Å; T136-S138 VanDerWaalsContact O-N 3.09Å
137L33.6Very low34.6Very low183 Ų183145.3 Ų145.396%0.95880%0.795SS**  trans-57.6107.3167-68.2161.5000107.6
138S31.2Very low34.5Very low113 Ų113146.4 Ų146.479%0.7979%0.791SS**  trans-136.5140.6165.670.80000111.8T136T136-S138 PolarHBondContact O-N 2.91Å; T136-S138 VanDerWaalsContact O-N 3.09Å
139S30.2Very low34.2Very low101 Ų101144.6 Ų144.671%0.70679%0.79SS**  trans-70.5143.5-160.252.10000115.3
140V33.4Very low34Very low120 Ų120141.6 Ų141.673%0.72778%0.778SS**  trans57.486.9135.5-172.10000115.9
141F33.7Very low33.7Very low187 Ų187143.1 Ų143.182%0.8278%0.781SS**  trans-127.792.7143.1-98.7-80.6000110.7R143F141-R143 VanDerWaalsContact C-N 3.33Å; F141-R143 PolarHBondContact O-N 3.32Å
142R32.5Very low33.9Very low229 Ų229148.1 Ų148.186%0.86478%0.78SS**  trans-69.377.7176.3-161.3-173.9-156.5-177.97.2110.1
143R35.5Very low34.3Very low216 Ų216152.8 Ų152.882%0.81579%0.789SS**  trans-91.2108.9168.3-68.2-171.7-163.2167.77109.4F141 S145F141-R143 VanDerWaalsContact C-N 3.33Å; F141-R143 PolarHBondContact O-N 3.32Å; R143-S145 PolarHBondContact O-N 3.07Å
144K34.8Very low34.3Very low190 Ų190156.9 Ų156.983%0.82679%0.793SS**  trans-59.596.6175-67.1176.2177.8176.60109.5I146K144-I146 PolarHBondContact O-N 3.22Å; K144-I146 VanDerWaalsContact O-N 3.09Å
145S38.3Very low34.5Very low105 Ų105161.9 Ų161.973%0.73480%0.804SS**  trans-72.898.3169.255.70000108.8R143 K147R143-S145 PolarHBondContact O-N 3.07Å; S145-K147 PolarHBondContact O-N 3.3Å; S145-K147 VanDerWaalsContact O-N 3.15Å
146I34.9Very low34.6Very low149 Ų149161.2 Ų161.276%0.76480%0.8SS**  trans-63.8111170.8-65.7168.7000107.2K144 L148K144-I146 PolarHBondContact O-N 3.22Å; K144-I146 VanDerWaalsContact O-N 3.09Å; I146-L148 VanDerWaalsContact C-N 3.32Å; I146-L148 HydrophobicContact CG2-CD1 4.27Å; I146-L148 PolarHBondContact O-N 3.42Å
147K37.2Very low34.4Very low198 Ų198162.8 Ų162.886%0.86180%0.801SS**  trans-69.584.3176.4-70-179.7177.5177.60109.7S145 G149S145-K147 PolarHBondContact O-N 3.3Å; S145-K147 VanDerWaalsContact O-N 3.15Å; K147-G149 VanDerWaalsContact C-N 3.29Å; K147-G149 PolarHBondContact O-N 3.23Å; K147-G149 VanDerWaalsContact O-N 3.13Å
148L33.8Very low34.5Very low140 Ų140159.8 Ų159.873%0.73379%0.79SS**  trans-82.482.2164.3-129.980.6000108.8I146 I150I146-L148 VanDerWaalsContact C-N 3.32Å; I146-L148 HydrophobicContact CG2-CD1 4.27Å; I146-L148 PolarHBondContact O-N 3.42Å; L148-I150 HydrophobicContact CD2-CD1 4.29Å; L148-I150 PolarHBondContact O-N 3.35Å
149G30.6Very low34.5Very low75 Ų75161.5 Ų161.577%0.77379%0.786SS**  trans-72.388.9172.600000110.7K147K147-G149 VanDerWaalsContact C-N 3.29Å; K147-G149 PolarHBondContact O-N 3.23Å; K147-G149 VanDerWaalsContact O-N 3.13Å
150I35.8Very low34.6Very low122 Ų122163.1 Ų163.163%0.62679%0.792SS**  trans-121.367163.2-45.5178.3000107.6L148 K152L148-I150 HydrophobicContact CD2-CD1 4.29Å; L148-I150 PolarHBondContact O-N 3.35Å; I150-K152 HydrophobicContact CG2-CG 4.14Å; I150-K152 PolarHBondContact O-N 3.32Å
151F35.5Very low34.5Very low205 Ų205165 Ų16590%0.89979%0.793SS**  trans-73.880.3167.8-139.7-95.8000107.5K153F151-K153 PolarHBondContact O-N 2.98Å
152K37Very low34.4Very low181 Ų181159.8 Ų159.879%0.78778%0.784SS**  trans-57104169.5-90.9179.2178.1178.80107.2I150 R154I150-K152 HydrophobicContact CG2-CG 4.14Å; I150-K152 PolarHBondContact O-N 3.32Å; K152-R154 PolarHBondContact O-N 2.92Å
153K40.6Very low34.5Very low193 Ų193154.2 Ų154.284%0.83979%0.787SS**  trans-5199.4173-70.3-178.2176.9179.80108.7F151 K155F151-K153 PolarHBondContact O-N 2.98Å; K153-K155 PolarHBondContact O-N 2.91Å
154R32.1Very low34.7Very low232 Ų232153.1 Ų153.188%0.87579%0.788SS**  trans-65104.3166.7-70.9-176.3-175.7-176.11.1106K152 T156K152-R154 PolarHBondContact O-N 2.92Å; R154-T156 VanDerWaalsContact C-N 3.31Å; R154-T156 PolarHBondContact O-N 3.29Å
155K36.7Very low34.7Very low195 Ų195151.4 Ų151.485%0.84879%0.786SS**  trans-68.795.5167.1-73.4-178.3177.8178.70106.2K153 I157K153-K155 PolarHBondContact O-N 2.91Å; K155-I157 PolarHBondContact O-N 3.42Å
156T35.2Very low34.9Very low126 Ų126153.5 Ų153.577%0.77378%0.784SS**  trans-61.2107.9168.9-13.50000106.7R154 V158R154-T156 VanDerWaalsContact C-N 3.31Å; R154-T156 PolarHBondContact O-N 3.29Å; T156-V158 VanDerWaalsContact C-N 3.31Å; T156-V158 PolarHBondContact O-N 3.4Å
157I30.1Very low35.6Very low158 Ų158151.3 Ų151.381%0.8177%0.769SS**  trans-69.696.7173.3-62.3169.2000105.1K155 Q159K155-I157 PolarHBondContact O-N 3.42Å; I157-Q159 PolarHBondContact O-N 2.94Å; I157-Q159 VanDerWaalsContact O-N 3.08Å
158V36.5Very low36.2Very low120 Ų120145.7 Ų145.773%0.72775%0.753SS**  trans-65.1109.7171.6177.40000106.3T156 T160T156-V158 VanDerWaalsContact C-N 3.31Å; T156-V158 PolarHBondContact O-N 3.4Å; V158-T160 PolarHBondContact O-N 3.03Å
159Q29.4Very low37.2Very low150 Ų150143.3 Ų143.370%0.70174%0.74SS**  trans-53.1106.5175.2-158.4168.323.700108.3I157 H161I157-Q159 PolarHBondContact O-N 2.94Å; I157-Q159 VanDerWaalsContact O-N 3.08Å; Q159-H161 VanDerWaalsContact C-N 3.3Å; Q159-H161 PolarHBondContact O-N 3.24Å
160T32.9Very low38.2Very low135 Ų135142 Ų14283%0.82873%0.728SS**  trans-70.588.317847.10000108.4V158 A162V158-T160 PolarHBondContact O-N 3.03Å; T160-A162 PolarHBondContact O-N 3.46Å; T160-A162 VanDerWaalsContact O-N 3.07Å
161H31.3Very low39.2Very low160 Ų160140.6 Ų140.674%0.74172%0.718SS**  trans-64.5110.6166.7-78-75.1000108.8Q159Q159-H161 VanDerWaalsContact C-N 3.3Å; Q159-H161 PolarHBondContact O-N 3.24Å
162A30.7Very low40.2Very low77 Ų77134.7 Ų134.764%0.63670%0.696SS**  trans16.8119.915500000116.7T160 K164T160-A162 PolarHBondContact O-N 3.46Å; T160-A162 VanDerWaalsContact O-N 3.07Å; A162-K164 VanDerWaalsContact C-N 3.33Å; A162-K164 PolarHBondContact O-N 2.98Å
163A34.8Very low41.2Very low112 Ų112127.1 Ų127.193%0.92667%0.667SS**  trans-39.686.2170.600000113.4I165A163-I165 PolarHBondContact O-N 3.3Å
164K39.5Very low42Very low193 Ų193125.4 Ų125.484%0.83966%0.662SS**  trans-91101.9166.8-74.4179.9-178.9-178.30106.4A162 E166A162-K164 VanDerWaalsContact C-N 3.33Å; A162-K164 PolarHBondContact O-N 2.98Å; K164-E166 PolarHBondContact O-N 3.27Å
165I36.1Very low43.2Very low154 Ų154120.2 Ų120.279%0.7965%0.648SS**  trans5.7108.5157.2-59.2165.6000111.9A163 K167A163-I165 PolarHBondContact O-N 3.3Å; I165-K167 VanDerWaalsContact C-N 3.3Å; I165-K167 PolarHBondContact O-N 2.97Å
166E42.1Very low44.4Very low148 Ų148116.3 Ų116.369%0.69263%0.631SS**  trans-56.389.5178.4-70.9177-172.400109.7K164 K196K164-E166 PolarHBondContact O-N 3.27Å; E166-K196 IonicContact OE1-NZ 3.49Å; E166-K196 PolarHBondContact OE1-NZ 2.9Å
167K48.5Very low45.5Very low103 Ų103116.4 Ų116.445%0.44863%0.627SS.*  trans-63.8134.1171.7-70.8-174.6-179.1-177.50108.4I165 E171 L172 E175I165-K167 VanDerWaalsContact C-N 3.3Å; I165-K167 PolarHBondContact O-N 2.97Å; K167-E171 HydrophobicContact CB-CB 4.36Å; K167-E171 WeakPolarHBondContact CD-OE2 3.39Å; K167-E171 WeakPolarHBondContact CG-OE2 3.47Å; K167-L172 HydrophobicContact CB-CD1 4.36Å; K167-E175 IonicContact NZ-OE2 2.78Å; K167-E175 PolarHBondContact NZ-OE2 3.09Å
168P51.4Low46.8Very low81 Ų81111.9 Ų111.953%0.52660%0.601SS.*  trans-59.6145.6178.224.8-32.5000110.2G170 E171P168-G170 PolarHBondContact O-N 3.3Å; P168-E171 HydrophobicContact CG-CG 4.18Å; P168-E171 PolarHBondContact O-N 3.43Å
169L54.4Low47.9Very low89 Ų89110.9 Ų110.947%0.46659%0.591SS.*Hα-helixtrans-49.3-28.4-174.8-114.898.5000114.6A173 V186 V199L169-A173 VanDerWaalsContact O-CB 3.29Å; L169-A173 WeakPolarHBondContact O-CB 3.41Å; L169-A173 PolarHBondContact O-N 2.95Å; L169-V186 HydrophobicContact CD2-CG1 3.95Å; L169-V199 HydrophobicContact CD1-CG1 4.46Å; L169-V199 HydrophobicContact CD1-CG2 3.79Å
170G50.4Low49.4Very low49 Ų49109.5 Ų109.551%0.50559%0.588SS.*Hα-helixtrans-62.8-39.5177.200000113.3P168 A173 Q174P168-G170 PolarHBondContact O-N 3.3Å; G170-A173 PolarHBondContact O-N 2.98Å; G170-Q174 PolarHBondContact O-N 2.87Å
171E57.8Low50.5Low92 Ų92107 Ų10743%0.4357%0.572SS.*Hα-helixtrans-71.2-43.6179.2-71.3177.5-164.200111.3K167 P168 A173 Q174 E175K167-E171 HydrophobicContact CB-CB 4.36Å; K167-E171 WeakPolarHBondContact CD-OE2 3.39Å; K167-E171 WeakPolarHBondContact CG-OE2 3.47Å; P168-E171 HydrophobicContact CG-CG 4.18Å; P168-E171 PolarHBondContact O-N 3.43Å; E171-A173 PolarHBondContact O-N 3.46Å; E171-Q174 PolarHBondContact O-N 3.25Å; E171-E175 WeakPolarHBondContact O-CB 3.48Å; E171-E175 PolarHBondContact O-N 3.21Å
172L57.2Low51.8Low80 Ų80101.8 Ų101.842%0.41955%0.548SS..Hα-helixtrans-62.2-34173.9-85.7144.4000112.1K167 K176K167-L172 HydrophobicContact CB-CD1 4.36Å; L172-K176 WeakPolarHBondContact O-CB 3.24Å; L172-K176 PolarHBondContact O-N 3.25Å; L172-K176 VanDerWaalsContact O-N 3.11Å
173A57.3Low53Low23 Ų23101.1 Ų101.119%0.1954%0.536CS..Hα-helixtrans-66-4217700000112.6L169 G170 E171 N177 F178 V183L169-A173 VanDerWaalsContact O-CB 3.29Å; L169-A173 WeakPolarHBondContact O-CB 3.41Å; L169-A173 PolarHBondContact O-N 2.95Å; G170-A173 PolarHBondContact O-N 2.98Å; E171-A173 PolarHBondContact O-N 3.46Å; A173-N177 PolarHBondContact O-N 3.46Å; A173-N177 VanDerWaalsContact O-N 3.15Å; A173-F178 PolarHBondContact O-N 3.35Å; A173-V183 HydrophobicContact CB-CG2 4.16Å
174Q58.5Low54.1Low156 Ų156105.3 Ų105.373%0.72953%0.528SS*.Hα-helixtrans-70.5-46.3175.6-72.3-177.8-8.900111.6G170 E171 K176 N177G170-Q174 PolarHBondContact O-N 2.87Å; E171-Q174 PolarHBondContact O-N 3.25Å; Q174-K176 PolarHBondContact O-N 3.05Å; Q174-N177 PolarHBondContact O-N 3.2Å; Q174-N177 VanDerWaalsContact O-N 3.15Å
175E56.8Low54.7Low123 Ų123101.5 Ų101.558%0.57552%0.516SS*.Hα-helixtrans-61-31.8-178.6-166.9173.7173.100112.2K167 E171K167-E175 IonicContact NZ-OE2 2.78Å; K167-E175 PolarHBondContact NZ-OE2 3.09Å; E171-E175 WeakPolarHBondContact O-CB 3.48Å; E171-E175 PolarHBondContact O-N 3.21Å
176K60.8Low55.7Low114 Ų11495.3 Ų95.350%0.49649%0.486SS..THydrogen-bonded Turntrans-101.64.7179.8-64.2-64.8-1751790114.6L172 Q174 F178L172-K176 WeakPolarHBondContact O-CB 3.24Å; L172-K176 PolarHBondContact O-N 3.25Å; L172-K176 VanDerWaalsContact O-N 3.11Å; Q174-K176 PolarHBondContact O-N 3.05Å; K176-F178 VanDerWaalsContact C-N 3.27Å; K176-F178 HydrophobicContact CB-CD2 3.55Å; K176-F178 HydrophobicContact CB-CE2 3.3Å; K176-F178 HydrophobicContact CB-CG 4.39Å; K176-F178 HydrophobicContact CB-CZ 3.95Å; K176-F178 HydrophobicContact CG-CD2 4.5Å; K176-F178 HydrophobicContact CG-CE2 3.87Å; K176-F178 HydrophobicContact CG-CZ 4.47Å; K176-F178 PolarHBondContact O-N 3.34Å
177N58.2Low55.9Low128 Ų12893 Ų9368%0.68448%0.482SS*.THydrogen-bonded Turntrans48.546.3-178.1-70.9-50.7000112.9A173 Q174A173-N177 PolarHBondContact O-N 3.46Å; A173-N177 VanDerWaalsContact O-N 3.15Å; Q174-N177 PolarHBondContact O-N 3.2Å; Q174-N177 VanDerWaalsContact O-N 3.15Å
178F58.5Low55.8Low62 Ų6296.4 Ų96.427%0.27250%0.497SS..  trans-71.5130.6177.5-76.9-64.6000110.3A173 K176 Q182 V183 L205A173-F178 PolarHBondContact O-N 3.35Å; K176-F178 VanDerWaalsContact C-N 3.27Å; K176-F178 HydrophobicContact CB-CD2 3.55Å; K176-F178 HydrophobicContact CB-CE2 3.3Å; K176-F178 HydrophobicContact CB-CG 4.39Å; K176-F178 HydrophobicContact CB-CZ 3.95Å; K176-F178 HydrophobicContact CG-CD2 4.5Å; K176-F178 HydrophobicContact CG-CE2 3.87Å; K176-F178 HydrophobicContact CG-CZ 4.47Å; K176-F178 PolarHBondContact O-N 3.34Å; F178-Q182 HydrophobicContact CB-CB 4.41Å; F178-Q182 HydrophobicContact CD1-CB 4.14Å; F178-V183 HydrophobicContact CB-CG2 4.06Å; F178-L205 HydrophobicContact CD1-CD1 4.23Å; F178-L205 HydrophobicContact CD1-CD2 4.37Å; F178-L205 HydrophobicContact CE1-CB 3.93Å; F178-L205 HydrophobicContact CE1-CD1 3.83Å; F178-L205 HydrophobicContact CE1-CD2 3.96Å; F178-L205 HydrophobicContact CE1-CG 4.12Å; F178-L205 HydrophobicContact CZ-CB 4.35Å
179N60.2Low55.5Low99 Ų9995.4 Ų95.453%0.52949%0.486SS..  trans-66.9149.2174.3-168.5-16.8000109.6T181 Q182 V183N179-T181 PolarHBondContact O-N 3.44Å; N179-Q182 VanDerWaalsContact N-OE1 3.16Å; N179-Q182 WeakPolarHBondContact O-CA 3.47Å; N179-Q182 WeakPolarHBondContact O-CB 3.4Å; N179-Q182 PolarHBondContact O-N 3.47Å; N179-V183 PolarHBondContact O-N 3.05Å; N179-V183 VanDerWaalsContact O-N 3.13Å
180I60.1Low54.9Low121 Ų121100.6 Ų100.662%0.62151%0.505SS*.Hα-helixtrans-51.3-35.3-178.5-63.8169000111.6V183 R184I180-V183 PolarHBondContact O-N 3.24Å; I180-R184 WeakPolarHBondContact O-CG 3.44Å; I180-R184 PolarHBondContact O-N 3.46Å; I180-R184 VanDerWaalsContact O-N 3.13Å
181T56.6Low54.5Low82 Ų82102.6 Ų102.650%0.50350%0.504SS..Hα-helixtrans-64.9-37.9174.638.40000113.3N179 R184 L185N179-T181 PolarHBondContact O-N 3.44Å; T181-R184 PolarHBondContact O-N 2.94Å; T181-L185 PolarHBondContact O-N 3.42Å
182Q57Low53.8Low51 Ų51108.3 Ų108.324%0.23853%0.528CS..Hα-helixtrans-70.5-37.2176.5-66.8173.8-32.800111.5F178 N179 R184 L185 V186 L205F178-Q182 HydrophobicContact CB-CB 4.41Å; F178-Q182 HydrophobicContact CD1-CB 4.14Å; N179-Q182 VanDerWaalsContact N-OE1 3.16Å; N179-Q182 WeakPolarHBondContact O-CA 3.47Å; N179-Q182 WeakPolarHBondContact O-CB 3.4Å; N179-Q182 PolarHBondContact O-N 3.47Å; Q182-R184 VanDerWaalsContact C-N 3.28Å; Q182-R184 PolarHBondContact O-N 3.35Å; Q182-L185 PolarHBondContact O-N 3.38Å; Q182-V186 PolarHBondContact O-N 2.98Å; Q182-L205 HydrophobicContact CB-CD1 4.32Å; Q182-L205 HydrophobicContact CB-CD2 4.45Å; Q182-L205 HydrophobicContact CG-CD2 4.06Å
183V57.1Low53.4Low64 Ų64109 Ų10939%0.38854%0.536SS..Hα-helixtrans-63.5-35.8173.5-179.10000111.2A173 F178 N179 I180 L185 V186A173-V183 HydrophobicContact CB-CG2 4.16Å; F178-V183 HydrophobicContact CB-CG2 4.06Å; N179-V183 PolarHBondContact O-N 3.05Å; N179-V183 VanDerWaalsContact O-N 3.13Å; I180-V183 PolarHBondContact O-N 3.24Å; V183-L185 VanDerWaalsContact C-N 3.35Å; V183-V186 WeakPolarHBondContact O-CB 3.38Å; V183-V186 PolarHBondContact O-N 2.85Å
184R57.7Low53Low199 Ų199115.2 Ų115.275%0.75157%0.565SS**Hα-helixtrans-68.2-31175.6-74.2-179.5-174.4176.53.4113.4I180 T181 Q182 V186I180-R184 WeakPolarHBondContact O-CG 3.44Å; I180-R184 PolarHBondContact O-N 3.46Å; I180-R184 VanDerWaalsContact O-N 3.13Å; T181-R184 PolarHBondContact O-N 2.94Å; Q182-R184 VanDerWaalsContact C-N 3.28Å; Q182-R184 PolarHBondContact O-N 3.35Å; R184-V186 PolarHBondContact O-N 3.44Å
185L53.1Low52.4Low113 Ų113111.4 Ų111.459%0.59257%0.568SS**Hα-helixtrans-72.2-15177.4-81.5163.1000113.2T181 Q182 V183 T187T181-L185 PolarHBondContact O-N 3.42Å; Q182-L185 PolarHBondContact O-N 3.38Å; V183-L185 VanDerWaalsContact C-N 3.35Å; L185-T187 PolarHBondContact O-N 2.91Å; L185-T187 PolarHBondContact O-OG1 3.15Å
186V55.8Low51.9Low25 Ų25111.6 Ų111.615%0.15257%0.567CS.*SBendtrans-71.176.1167.7-179.70000109.2L169 Q182 V183 R184 K188 V199L169-V186 HydrophobicContact CD2-CG1 3.95Å; Q182-V186 PolarHBondContact O-N 2.98Å; V183-V186 WeakPolarHBondContact O-CB 3.38Å; V183-V186 PolarHBondContact O-N 2.85Å; R184-V186 PolarHBondContact O-N 3.44Å; V186-K188 PolarHBondContact O-N 2.93Å; V186-V199 HydrophobicContact CG1-CB 4.09Å; V186-V199 HydrophobicContact CG1-CG1 3.27Å; V186-V199 HydrophobicContact CG1-CG2 3.94Å
187T47.6Very low51.2Low100 Ų100110.6 Ų110.661%0.61357%0.572SS**  trans-63.8116173.36.50000109L185 I189L185-T187 PolarHBondContact O-N 2.91Å; L185-T187 PolarHBondContact O-OG1 3.15Å; T187-I189 VanDerWaalsContact C-N 3.31Å; T187-I189 PolarHBondContact O-N 3.21Å
188K45.9Very low50.7Low174 Ų174108.3 Ų108.376%0.75756%0.563SS**BIsolated β-bridgetrans-62.592167.6-66.4-178.2-179.6-178.20108.5V186 K190V186-K188 PolarHBondContact O-N 2.93Å; K188-K190 PolarHBondContact O-N 3.13Å; K188-K190 VanDerWaalsContact O-N 3.15Å
189I43.7Very low50.5Low59 Ų59107.4 Ų107.430%0.30356%0.562SS.*  trans-71.4110.6170-60.6176.7000106.3T187 N191 K200T187-I189 VanDerWaalsContact C-N 3.31Å; T187-I189 PolarHBondContact O-N 3.21Å; I189-N191 PolarHBondContact O-N 3.08Å; I189-K200 HydrophobicContact CD1-CB 4.45Å; I189-K200 HydrophobicContact CD1-CD 3.63Å; I189-K200 HydrophobicContact CD1-CG 4.01Å
190K42Very low50Low199 Ų199109.2 Ų109.287%0.86557%0.565SS**  trans-68.872.3170.5-74.8-178.5177.3176.20109.3K188K188-K190 PolarHBondContact O-N 3.13Å; K188-K190 VanDerWaalsContact O-N 3.15Å
191N41.6Very low49.8Very low90 Ų90106.2 Ų106.248%0.48155%0.552SS.*  trans-79.2121.2163.8-90.8-6.6000108.4I189 T193I189-N191 PolarHBondContact O-N 3.08Å; N191-T193 PolarHBondContact O-N 2.81Å; N191-T193 VanDerWaalsContact O-N 3.09Å
192K45.1Very low49.8Very low212 Ų212104.3 Ų104.392%0.92254%0.542SS*.  trans-81.143.1176.5-71.1-166.6174.7-173.70112
193T47.3Very low50Low96 Ų96108 Ų10859%0.58956%0.563SS**SBendtrans-113.6102.2170.328.80000106.8N191 G195N191-T193 PolarHBondContact O-N 2.81Å; N191-T193 VanDerWaalsContact O-N 3.09Å; T193-G195 PolarHBondContact O-N 2.86Å
194D49.5Very low50.1Low152 Ų152112.4 Ų112.481%0.81358%0.58SS**THydrogen-bonded Turntrans57.245.3168.1-50.6-33.5000117.1K196D194-K196 PolarHBondContact O-N 3.45Å
195G46.6Very low50Low77 Ų77104.8 Ų104.879%0.79455%0.554SS**THydrogen-bonded Turntrans67.7-5.7156.800000116.7T193 P197T193-G195 PolarHBondContact O-N 2.86Å; G195-P197 WeakPolarHBondContact O-CD 3.42Å
196K45.4Very low50.2Low127 Ų127104.8 Ų104.855%0.55255%0.553SS**  trans-97.3113178.8-65.5-168.1176.4-155.10109.7E166 D194 V198E166-K196 IonicContact OE1-NZ 3.49Å; E166-K196 PolarHBondContact OE1-NZ 2.9Å; D194-K196 PolarHBondContact O-N 3.45Å; K196-V198 PolarHBondContact O-N 3.36Å
197P46.9Very low50.1Low93 Ų93109.3 Ų109.360%0.60457%0.573SS**  trans-63.5107.5176.125.5-31.4000109.1G195 V199G195-P197 WeakPolarHBondContact O-CD 3.42Å; P197-V199 PolarHBondContact O-N 3Å
198V47.7Very low50.3Low79 Ų79108 Ų10848%0.47956%0.562SS.*  trans-72.1102174.3-178.30000108.1K196 K200K196-V198 PolarHBondContact O-N 3.36Å; V198-K200 PolarHBondContact O-N 3.37Å
199V53.5Low50.5Low43 Ų43107 Ų10726%0.26155%0.553SS.*BIsolated β-bridgetrans-77.6102.5173.21580000107.4L169 V186 P197 V201L169-V199 HydrophobicContact CD1-CG1 4.46Å; L169-V199 HydrophobicContact CD1-CG2 3.79Å; V186-V199 HydrophobicContact CG1-CB 4.09Å; V186-V199 HydrophobicContact CG1-CG1 3.27Å; V186-V199 HydrophobicContact CG1-CG2 3.94Å; P197-V199 PolarHBondContact O-N 3Å; V199-V201 HydrophobicContact CG1-CG2 4Å; V199-V201 PolarHBondContact O-N 3.46Å
200K49.4Very low50.9Low137 Ų137108.3 Ų108.360%0.59656%0.56SS**  trans-73.8106.7168.4-74-167.9-175.4-1800107.9I189 V198I189-K200 HydrophobicContact CD1-CB 4.45Å; I189-K200 HydrophobicContact CD1-CD 3.63Å; I189-K200 HydrophobicContact CD1-CG 4.01Å; V198-K200 PolarHBondContact O-N 3.37Å
201V57.2Low51.3Low58 Ų58103.1 Ų103.135%0.35254%0.544SS..  trans-78.1122.7167-178.20000106.8V199 L205 L206V199-V201 HydrophobicContact CG1-CG2 4Å; V199-V201 PolarHBondContact O-N 3.46Å; V201-L205 HydrophobicContact CG1-CB 3.82Å; V201-L205 HydrophobicContact CG1-CD1 4.37Å; V201-L206 HydrophobicContact CG1-CD2 4.16Å; V201-L206 HydrophobicContact CG1-CG 4.12Å
202P56.4Low51.8Low43 Ų43107.7 Ų107.728%0.27956%0.555SS.*  trans-55.6139.4173.7-23.332000111.3E204 L205 L206P202-E204 PolarHBondContact O-N 3.19Å; P202-E204 VanDerWaalsContact O-N 3.08Å; P202-L205 HydrophobicContact CG-CD1 4.44Å; P202-L205 WeakPolarHBondContact O-CB 3.47Å; P202-L205 PolarHBondContact O-N 3.42Å; P202-L206 PolarHBondContact O-N 2.97Å
203D60.9Low52.2Low129 Ų129102.4 Ų102.469%0.6954%0.537SS*.Hα-helixtrans-56.6-28.4-179.2-67.3-25.5000112.5L205 L206 Q207D203-L205 PolarHBondContact O-N 3.01Å; D203-L206 CarbonylContact O-C 3.56Å; D203-L206 WeakPolarHBondContact O-CB 3.39Å; D203-L206 PolarHBondContact O-N 3.01Å; D203-Q207 PolarHBondContact O-N 2.85Å
204E58.5Low52.5Low156 Ų156105 Ų10573%0.72954%0.536SS*.Hα-helixtrans-60.1-30.7174.3-63.4170.4-175.400113.2P202P202-E204 PolarHBondContact O-N 3.19Å; P202-E204 VanDerWaalsContact O-N 3.08Å
205L56.7Low52.9Low39 Ų39102 Ų10220%0.20452%0.523CS..Hα-helixtrans-86.6-20175.6-59-174.8000112.3F178 Q182 V201 P202 D203 Q207F178-L205 HydrophobicContact CD1-CD1 4.23Å; F178-L205 HydrophobicContact CD1-CD2 4.37Å; F178-L205 HydrophobicContact CE1-CB 3.93Å; F178-L205 HydrophobicContact CE1-CD1 3.83Å; F178-L205 HydrophobicContact CE1-CD2 3.96Å; F178-L205 HydrophobicContact CE1-CG 4.12Å; F178-L205 HydrophobicContact CZ-CB 4.35Å; Q182-L205 HydrophobicContact CB-CD1 4.32Å; Q182-L205 HydrophobicContact CB-CD2 4.45Å; Q182-L205 HydrophobicContact CG-CD2 4.06Å; V201-L205 HydrophobicContact CG1-CB 3.82Å; V201-L205 HydrophobicContact CG1-CD1 4.37Å; P202-L205 HydrophobicContact CG-CD1 4.44Å; P202-L205 WeakPolarHBondContact O-CB 3.47Å; P202-L205 PolarHBondContact O-N 3.42Å; D203-L205 PolarHBondContact O-N 3.01Å; L205-Q207 VanDerWaalsContact C-N 3.3Å
206L56.9Low53.5Low112 Ų112100.7 Ų100.759%0.58650%0.501SS*.Hα-helixtrans-80.9-12.3171.5-65.9175.4000112.3V201 P202 D203 D208V201-L206 HydrophobicContact CG1-CD2 4.16Å; V201-L206 HydrophobicContact CG1-CG 4.12Å; P202-L206 PolarHBondContact O-N 2.97Å; D203-L206 CarbonylContact O-C 3.56Å; D203-L206 WeakPolarHBondContact O-CB 3.39Å; D203-L206 PolarHBondContact O-N 3.01Å; L206-D208 PolarHBondContact O-N 3.39Å
207Q53.3Low54.2Low121 Ų121100.6 Ų100.657%0.56550%0.501SS*.SBendtrans-62.292.6165.5-70.7-172.710.400107.9D203 L205 R209D203-Q207 PolarHBondContact O-N 2.85Å; L205-Q207 VanDerWaalsContact C-N 3.3Å; Q207-R209 PolarHBondContact O-N 2.77Å
208D51.1Low55.1Low73 Ų73101.1 Ų101.139%0.3950%0.499SS..  trans-51114-179-157.75000107.3L206 M210 V211L206-D208 PolarHBondContact O-N 3.39Å; D208-M210 PolarHBondContact O-N 3.4Å; D208-M210 WeakPolarHBondContact OD2-CE 3.38Å; D208-V211 HydrophobicContact CB-CG2 4.25Å; D208-V211 PolarHBondContact O-N 3.29Å
209R51.6Low56.1Low151 Ų151101.5 Ų101.557%0.5750%0.501SS*.Hα-helixtrans-52.1-28.1177.2-72.3-173.3-179177.85.1110.6Q207 V211 R212 D213Q207-R209 PolarHBondContact O-N 2.77Å; R209-V211 PolarHBondContact O-N 3.19Å; R209-R212 PolarHBondContact O-N 2.87Å; R209-R212 VanDerWaalsContact O-N 3.1Å; R209-D213 PolarHBondContact O-N 3.13Å
210M50.7Low56.9Low88 Ų88105.6 Ų105.643%0.43352%0.517SS..Hα-helixtrans-52.9-34.1171.4-61.9-142.3-55.200114D208 R214D208-M210 PolarHBondContact O-N 3.4Å; D208-M210 WeakPolarHBondContact OD2-CE 3.38Å; M210-R214 WeakPolarHBondContact O-CB 3.28Å; M210-R214 WeakPolarHBondContact O-CD 3.4Å; M210-R214 WeakPolarHBondContact O-CG 3.38Å; M210-R214 PolarHBondContact O-N 2.98Å
211V51.8Low57.9Low90 Ų90103 Ų10355%0.54551%0.51SS..Hα-helixtrans-71.4-42.3178.51780000110.7D208 R209 V215D208-V211 HydrophobicContact CB-CG2 4.25Å; D208-V211 PolarHBondContact O-N 3.29Å; R209-V211 PolarHBondContact O-N 3.19Å; V211-V215 VanDerWaalsContact O-CG2 3.23Å; V211-V215 WeakPolarHBondContact O-CG2 3.47Å; V211-V215 PolarHBondContact O-N 2.97Å
212R51.7Low58.8Low186 Ų186103.1 Ų103.170%0.70251%0.513SS*.Hα-helixtrans-67.4-43176.4-74.5-163.5-176-172.73.3111.6R209 V215 S216R209-R212 PolarHBondContact O-N 2.87Å; R209-R212 VanDerWaalsContact O-N 3.1Å; R212-V215 PolarHBondContact O-N 3.22Å; R212-S216 PolarHBondContact O-N 3.21Å
213D53.5Low59.8Low100 Ų100106.2 Ų106.254%0.53553%0.527SS..Hα-helixtrans-69-39-179.5-64.4-21.8000111.1R209 S216 F217R209-D213 PolarHBondContact O-N 3.13Å; D213-S216 PolarHBondContact O-N 3.13Å; D213-S216 PolarHBondContact O-OG 3.17Å; D213-F217 WeakPolarHBondContact O-CB 3.19Å; D213-F217 PolarHBondContact O-N 2.74Å
214R54.3Low60.8Low152 Ų152104.7 Ų104.757%0.57452%0.518SS*.Hα-helixtrans-63.5-45.3174.3-76.5172.6-173.8-168.11.5112.5M210 S216 F217 D218M210-R214 WeakPolarHBondContact O-CB 3.28Å; M210-R214 WeakPolarHBondContact O-CD 3.4Å; M210-R214 WeakPolarHBondContact O-CG 3.38Å; M210-R214 PolarHBondContact O-N 2.98Å; R214-S216 PolarHBondContact O-N 3.23Å; R214-F217 PolarHBondContact O-N 3.03Å; R214-F217 VanDerWaalsContact O-N 3.12Å; R214-D218 PolarHBondContact O-N 3.18Å
215V56.4Low62.1Low89 Ų8999.1 Ų99.154%0.53950%0.503SS..Hα-helixtrans-61.9-37176.4174.50000110.5V211 R212 T219V211-V215 VanDerWaalsContact O-CG2 3.23Å; V211-V215 WeakPolarHBondContact O-CG2 3.47Å; V211-V215 PolarHBondContact O-N 2.97Å; R212-V215 PolarHBondContact O-N 3.22Å; V215-T219 WeakPolarHBondContact O-CB 3.39Å; V215-T219 PolarHBondContact O-N 2.85Å; V215-T219 VanDerWaalsContact O-N 3.08Å; V215-T219 PolarHBondContact O-OG1 3.49Å
216S60.5Low63.2Low48 Ų48105.1 Ų105.134%0.33652%0.523SS..Hα-helixtrans-67.7-37.2174.8800000112.9R212 D213 R214 T219 Q220R212-S216 PolarHBondContact O-N 3.21Å; D213-S216 PolarHBondContact O-N 3.13Å; D213-S216 PolarHBondContact O-OG 3.17Å; R214-S216 PolarHBondContact O-N 3.23Å; S216-T219 WeakPolarHBondContact CA-OG1 3.46Å; S216-T219 PolarHBondContact O-OG1 2.92Å; S216-Q220 WeakPolarHBondContact O-CB 3.46Å; S216-Q220 WeakPolarHBondContact O-CG 3.36Å; S216-Q220 PolarHBondContact O-N 3.14Å
217F59.1Low64.4Low126 Ų126104.1 Ų104.155%0.55352%0.518SS*.Hα-helixtrans-71.5-43.7179.2-175.2-109.3000111.7D213 R214 T219 Q220 L221D213-F217 WeakPolarHBondContact O-CB 3.19Å; D213-F217 PolarHBondContact O-N 2.74Å; R214-F217 PolarHBondContact O-N 3.03Å; R214-F217 VanDerWaalsContact O-N 3.12Å; F217-T219 VanDerWaalsContact C-N 3.34Å; F217-T219 PolarHBondContact O-N 2.82Å; F217-Q220 PolarHBondContact O-N 3.26Å; F217-L221 HydrophobicContact CD1-CD1 3.52Å; F217-L221 HydrophobicContact CD1-CG 4.48Å; F217-L221 HydrophobicContact CE1-CD1 3.11Å; F217-L221 HydrophobicContact CE1-CG 4.13Å; F217-L221 HydrophobicContact CE2-CD1 4.26Å; F217-L221 HydrophobicContact CE2-CG 4.48Å; F217-L221 HydrophobicContact CG-CD1 4.27Å; F217-L221 HydrophobicContact CZ-CD1 3.52Å; F217-L221 HydrophobicContact CZ-CG 4.11Å; F217-L221 WeakPolarHBondContact O-CB 3.49Å; F217-L221 PolarHBondContact O-N 3.41Å
218D65.1Low65.9Low104 Ų104102.6 Ų102.656%0.55651%0.513SS*.Hα-helixtrans-64.7-39.3177-72.8-19.2000111.5R214 S222R214-D218 PolarHBondContact O-N 3.18Å; D218-S222 VanDerWaalsContact O-CB 3.25Å; D218-S222 WeakPolarHBondContact O-CB 3.42Å; D218-S222 PolarHBondContact O-N 2.87Å
219T68.8Low67.6Low86 Ų86103.9 Ų103.953%0.52852%0.519SS..Hα-helixtrans-67.3-39.3174.241.10000112.3V215 S216 F217 S222 L223V215-T219 WeakPolarHBondContact O-CB 3.39Å; V215-T219 PolarHBondContact O-N 2.85Å; V215-T219 VanDerWaalsContact O-N 3.08Å; V215-T219 PolarHBondContact O-OG1 3.49Å; S216-T219 WeakPolarHBondContact CA-OG1 3.46Å; S216-T219 PolarHBondContact O-OG1 2.92Å; F217-T219 VanDerWaalsContact C-N 3.34Å; F217-T219 PolarHBondContact O-N 2.82Å; T219-S222 PolarHBondContact O-N 2.96Å; T219-L223 WeakPolarHBondContact O-CB 3.44Å; T219-L223 PolarHBondContact O-N 3.31Å
220Q71.2Confident69.1Low129 Ų129101.7 Ų101.760%0.60352%0.519SS*.Hα-helixtrans-66-43.8174.8-75.4173.117.400112.4S216 F217 S222 L223 L224S216-Q220 WeakPolarHBondContact O-CB 3.46Å; S216-Q220 WeakPolarHBondContact O-CG 3.36Å; S216-Q220 PolarHBondContact O-N 3.14Å; F217-Q220 PolarHBondContact O-N 3.26Å; Q220-S222 VanDerWaalsContact C-N 3.32Å; Q220-S222 PolarHBondContact O-N 2.67Å; Q220-L223 PolarHBondContact O-N 2.95Å; Q220-L224 WeakPolarHBondContact O-CB 3.49Å; Q220-L224 PolarHBondContact O-N 2.98Å
221L71.4Confident70.7Confident83 Ų83103.3 Ų103.344%0.43553%0.528SS..Hα-helixtrans-61.4-40.9173.7-90165.2000111.8F217 L224 G225F217-L221 HydrophobicContact CD1-CD1 3.52Å; F217-L221 HydrophobicContact CD1-CG 4.48Å; F217-L221 HydrophobicContact CE1-CD1 3.11Å; F217-L221 HydrophobicContact CE1-CG 4.13Å; F217-L221 HydrophobicContact CE2-CD1 4.26Å; F217-L221 HydrophobicContact CE2-CG 4.48Å; F217-L221 HydrophobicContact CG-CD1 4.27Å; F217-L221 HydrophobicContact CZ-CD1 3.52Å; F217-L221 HydrophobicContact CZ-CG 4.11Å; F217-L221 WeakPolarHBondContact O-CB 3.49Å; F217-L221 PolarHBondContact O-N 3.41Å; L221-L224 PolarHBondContact O-N 3.47Å; L221-G225 PolarHBondContact O-N 3.25Å
222S75.9Confident72.3Confident61 Ų61103.3 Ų103.343%0.42753%0.525SS..Hα-helixtrans-63.4-42.2175.7-170.60000111.5D218 T219 Q220 G225 R226D218-S222 VanDerWaalsContact O-CB 3.25Å; D218-S222 WeakPolarHBondContact O-CB 3.42Å; D218-S222 PolarHBondContact O-N 2.87Å; T219-S222 PolarHBondContact O-N 2.96Å; Q220-S222 VanDerWaalsContact C-N 3.32Å; Q220-S222 PolarHBondContact O-N 2.67Å; S222-G225 PolarHBondContact O-N 3.12Å; S222-R226 WeakPolarHBondContact O-CG 3.35Å; S222-R226 PolarHBondContact O-N 3.34Å
223L76.4Confident73.9Confident107 Ų10798.7 Ų98.756%0.5651%0.514SS*.Hα-helixtrans-63.9-43176.2-149.999000111.5T219 Q220 R226 N227T219-L223 WeakPolarHBondContact O-CB 3.44Å; T219-L223 PolarHBondContact O-N 3.31Å; Q220-L223 PolarHBondContact O-N 2.95Å; L223-R226 PolarHBondContact O-N 2.7Å; L223-N227 VanDerWaalsContact O-CG 3.26Å; L223-N227 PolarHBondContact O-N 3.03Å; L223-N227 PolarHBondContact O-ND2 2.87Å
224L82.5Confident75.1Confident97 Ų9795.9 Ų95.951%0.50851%0.508SS..Hα-helixtrans-62.2-45.7176-177.865.1000111.4Q220 L221 R226 N227 I228Q220-L224 WeakPolarHBondContact O-CB 3.49Å; Q220-L224 PolarHBondContact O-N 2.98Å; L221-L224 PolarHBondContact O-N 3.47Å; L224-R226 VanDerWaalsContact C-N 3.33Å; L224-R226 PolarHBondContact O-N 3.25Å; L224-N227 PolarHBondContact O-N 3.08Å; L224-I228 HydrophobicContact CD1-CD1 4.33Å; L224-I228 HydrophobicContact CG-CD1 4.03Å; L224-I228 WeakPolarHBondContact O-CG1 3.16Å; L224-I228 PolarHBondContact O-N 2.95Å
225G84.6Confident76.3Confident40 Ų4093 Ų9341%0.41250%0.504SS..Hα-helixtrans-59.4-41.9176.900000112.6L221 S222 I228 L229L221-G225 PolarHBondContact O-N 3.25Å; S222-G225 PolarHBondContact O-N 3.12Å; G225-I228 PolarHBondContact O-N 3.09Å; G225-L229 WeakPolarHBondContact O-CB 3.35Å; G225-L229 PolarHBondContact O-N 2.85Å
226R79.7Confident77.3Confident165 Ų16593.6 Ų93.662%0.62350%0.503SS*.Hα-helixtrans-64.8-41174.7-73178.1-176.8179.81.3112.6S222 L223 L224 L229 N230S222-R226 WeakPolarHBondContact O-CG 3.35Å; S222-R226 PolarHBondContact O-N 3.34Å; L223-R226 PolarHBondContact O-N 2.7Å; L224-R226 VanDerWaalsContact C-N 3.33Å; L224-R226 PolarHBondContact O-N 3.25Å; R226-L229 PolarHBondContact O-N 3.01Å; R226-N230 WeakPolarHBondContact O-CB 3.46Å; R226-N230 VanDerWaalsContact O-CG 3.24Å; R226-N230 PolarHBondContact O-N 3.46Å; R226-N230 PolarHBondContact O-ND2 2.86Å
227N83.9Confident77.9Confident90 Ų9094.2 Ų94.248%0.48151%0.511SS..Hα-helixtrans-64.6-41.2178.1-71.1-16.4000111.9L223 L224 N230 L231L223-N227 VanDerWaalsContact O-CG 3.26Å; L223-N227 PolarHBondContact O-N 3.03Å; L223-N227 PolarHBondContact O-ND2 2.87Å; L224-N227 PolarHBondContact O-N 3.08Å; N227-N230 PolarHBondContact O-N 3.1Å; N227-L231 PolarHBondContact O-N 3.15Å
228I84.8Confident78.5Confident90 Ų9093.3 Ų93.346%0.46251%0.509SS..Hα-helixtrans-63.7-45.5175.4-66.5166.9000110.3L224 G225 N230 L231 L232L224-I228 HydrophobicContact CD1-CD1 4.33Å; L224-I228 HydrophobicContact CG-CD1 4.03Å; L224-I228 WeakPolarHBondContact O-CG1 3.16Å; L224-I228 PolarHBondContact O-N 2.95Å; G225-I228 PolarHBondContact O-N 3.09Å; I228-N230 VanDerWaalsContact C-N 3.33Å; I228-N230 PolarHBondContact O-N 3.05Å; I228-L231 PolarHBondContact O-N 2.93Å; I228-L232 HydrophobicContact CG2-CD1 4.02Å; I228-L232 HydrophobicContact CG2-CG 4.44Å; I228-L232 WeakPolarHBondContact O-CG 3.36Å; I228-L232 PolarHBondContact O-N 2.9Å
229L85.8Confident78.4Confident100 Ų10090.5 Ų90.552%0.52450%0.5SS..Hα-helixtrans-61.8-41.2178.9-167.471.2000112G225 R226 L232 N233G225-L229 WeakPolarHBondContact O-CB 3.35Å; G225-L229 PolarHBondContact O-N 2.85Å; R226-L229 PolarHBondContact O-N 3.01Å; L229-L232 PolarHBondContact O-N 3.48Å; L229-N233 WeakPolarHBondContact O-CB 3.47Å; L229-N233 VanDerWaalsContact O-CG 3.28Å; L229-N233 PolarHBondContact O-N 2.99Å; L229-N233 PolarHBondContact O-ND2 2.93Å
230N83.5Confident78.3Confident105 Ų10590.5 Ų90.556%0.56150%0.497SS*.Hα-helixtrans-64-40.5176.5-72.9-15.1000112.2R226 N227 I228 N233 G234R226-N230 WeakPolarHBondContact O-CB 3.46Å; R226-N230 VanDerWaalsContact O-CG 3.24Å; R226-N230 PolarHBondContact O-N 3.46Å; R226-N230 PolarHBondContact O-ND2 2.86Å; N227-N230 PolarHBondContact O-N 3.1Å; I228-N230 VanDerWaalsContact C-N 3.33Å; I228-N230 PolarHBondContact O-N 3.05Å; N230-N233 PolarHBondContact O-N 3.18Å; N230-G234 PolarHBondContact O-N 3.02Å
231L84.7Confident77.9Confident121 Ų12189.9 Ų89.963%0.63450%0.497SS*.Hα-helixtrans-64.3-44176.6-173.568.4000111.3N227 I228 G234 L235N227-L231 PolarHBondContact O-N 3.15Å; I228-L231 PolarHBondContact O-N 2.93Å; L231-G234 PolarHBondContact O-N 3.42Å; L231-L235 HydrophobicContact CG-CD1 4.36Å; L231-L235 WeakPolarHBondContact O-CG 3.38Å; L231-L235 PolarHBondContact O-N 2.76Å
232L85.3Confident77.2Confident90 Ų9091 Ų9147%0.47150%0.5SS..Hα-helixtrans-62.8-43.7177.1-69.8172.4000111.7I228 L229 G234 L235 I236I228-L232 HydrophobicContact CG2-CD1 4.02Å; I228-L232 HydrophobicContact CG2-CG 4.44Å; I228-L232 WeakPolarHBondContact O-CG 3.36Å; I228-L232 PolarHBondContact O-N 2.9Å; L229-L232 PolarHBondContact O-N 3.48Å; L232-G234 VanDerWaalsContact C-N 3.31Å; L232-G234 PolarHBondContact O-N 2.79Å; L232-L235 PolarHBondContact O-N 3.13Å; L232-I236 VanDerWaalsContact O-CG1 3.28Å; L232-I236 WeakPolarHBondContact O-CG1 3.42Å; L232-I236 PolarHBondContact O-N 3.05Å
233N84Confident76.4Confident90 Ų9093.9 Ų93.948%0.48151%0.51SS..Hα-helixtrans-62.9-38.2176.1-72.4-17.9000112.1L229 N230 A237L229-N233 WeakPolarHBondContact O-CB 3.47Å; L229-N233 VanDerWaalsContact O-CG 3.28Å; L229-N233 PolarHBondContact O-N 2.99Å; L229-N233 PolarHBondContact O-ND2 2.93Å; N230-N233 PolarHBondContact O-N 3.18Å; N233-A237 WeakPolarHBondContact O-CB 3.03Å; N233-A237 PolarHBondContact O-N 2.98Å
234G79.5Confident75.7Confident40 Ų4095.7 Ų95.741%0.41251%0.513SS..Hα-helixtrans-63.1-45.4174.500000112.6N230 L231 L232 A237 E238N230-G234 PolarHBondContact O-N 3.02Å; L231-G234 PolarHBondContact O-N 3.42Å; L232-G234 VanDerWaalsContact C-N 3.31Å; L232-G234 PolarHBondContact O-N 2.79Å; G234-A237 PolarHBondContact O-N 3.08Å; G234-E238 WeakPolarHBondContact O-CB 3.25Å; G234-E238 PolarHBondContact O-N 3.06Å
235L79.4Confident74.5Confident93 Ų9394 Ų9449%0.48751%0.507SS..Hα-helixtrans-65.6-38.3178.2-70.8170.9000112.7L231 L232 E238 A239L231-L235 HydrophobicContact CG-CD1 4.36Å; L231-L235 WeakPolarHBondContact O-CG 3.38Å; L231-L235 PolarHBondContact O-N 2.76Å; L232-L235 PolarHBondContact O-N 3.13Å; L235-E238 PolarHBondContact O-N 2.99Å; L235-A239 WeakPolarHBondContact O-CB 3.1Å; L235-A239 PolarHBondContact O-N 3.04Å
236I77.3Confident73.2Confident101 Ų10196.4 Ų96.452%0.51851%0.51SS..Hα-helixtrans-64.7-45.7175-67.1164.1000110.1L232 E238 A239 D240L232-I236 VanDerWaalsContact O-CG1 3.28Å; L232-I236 WeakPolarHBondContact O-CG1 3.42Å; L232-I236 PolarHBondContact O-N 3.05Å; I236-E238 VanDerWaalsContact C-N 3.29Å; I236-E238 PolarHBondContact O-N 3.36Å; I236-A239 PolarHBondContact O-N 3.13Å; I236-D240 PolarHBondContact O-N 3.46Å
237A72.5Confident72.1Confident60 Ų6090.4 Ų90.450%0.49650%0.5SS..Hα-helixtrans-63.1-36.8177.700000112.3N233 G234 L241N233-A237 WeakPolarHBondContact O-CB 3.03Å; N233-A237 PolarHBondContact O-N 2.98Å; G234-A237 PolarHBondContact O-N 3.08Å; A237-L241 WeakPolarHBondContact O-CB 3.23Å; A237-L241 PolarHBondContact O-N 3.13Å
238E71.2Confident70.9Confident108 Ų10891.7 Ų91.751%0.50551%0.505SS..Hα-helixtrans-69.1-41.9175.8-169.4172.7-177.300111.9G234 L235 I236 L241 Q242G234-E238 WeakPolarHBondContact O-CB 3.25Å; G234-E238 PolarHBondContact O-N 3.06Å; L235-E238 PolarHBondContact O-N 2.99Å; I236-E238 VanDerWaalsContact C-N 3.29Å; I236-E238 PolarHBondContact O-N 3.36Å; E238-L241 PolarHBondContact O-N 2.81Å; E238-Q242 WeakPolarHBondContact O-CG 3.39Å; E238-Q242 PolarHBondContact O-N 3.27Å
239A65Low69.7Low45 Ų4592.6 Ų92.637%0.37251%0.508SS..Hα-helixtrans-63.3-41.9175.400000112.2L235 I236 L241 Q242 L243L235-A239 WeakPolarHBondContact O-CB 3.1Å; L235-A239 PolarHBondContact O-N 3.04Å; I236-A239 PolarHBondContact O-N 3.13Å; A239-L241 VanDerWaalsContact C-N 3.29Å; A239-L241 PolarHBondContact O-N 3.06Å; A239-Q242 PolarHBondContact O-N 3.15Å; A239-L243 WeakPolarHBondContact O-CG 3.45Å; A239-L243 PolarHBondContact O-N 3.48Å
240D66.7Low68.5Low86 Ų8694.8 Ų94.846%0.4652%0.515SS..Hα-helixtrans-63.9-34.5174.8-83.9-7.6000112.2I236 K244I236-D240 PolarHBondContact O-N 3.46Å; D240-K244 WeakPolarHBondContact O-CG 3.37Å; D240-K244 PolarHBondContact O-N 3.21Å
241L62.3Low67.3Low115 Ų11592.4 Ų92.460%0.60251%0.51SS*.Hα-helixtrans-71.5-41.2176-162.277.8000111.5A237 E238 A239 K244 T245A237-L241 WeakPolarHBondContact O-CB 3.23Å; A237-L241 PolarHBondContact O-N 3.13Å; E238-L241 PolarHBondContact O-N 2.81Å; A239-L241 VanDerWaalsContact C-N 3.29Å; A239-L241 PolarHBondContact O-N 3.06Å; L241-K244 PolarHBondContact O-N 3.41Å; L241-T245 WeakPolarHBondContact O-CB 3.43Å; L241-T245 PolarHBondContact O-N 2.88Å; L241-T245 PolarHBondContact O-OG1 2.88Å
242Q56.9Low66Low106 Ų10691.3 Ų91.350%0.49550%0.502SS..Hα-helixtrans-62.2-46.3175.9-73.1178.912.200111.1E238 A239 K244 T245 D246E238-Q242 WeakPolarHBondContact O-CG 3.39Å; E238-Q242 PolarHBondContact O-N 3.27Å; A239-Q242 PolarHBondContact O-N 3.15Å; Q242-K244 VanDerWaalsContact C-N 3.3Å; Q242-K244 PolarHBondContact O-N 3.24Å; Q242-T245 PolarHBondContact O-N 3.31Å; Q242-D246 PolarHBondContact O-N 2.92Å
243L58.9Low65Low123 Ų12393.4 Ų93.464%0.64451%0.509SS*.Hα-helixtrans-58-40.1176.2-79.3160.3000112.9A239 G247A239-L243 WeakPolarHBondContact O-CG 3.45Å; A239-L243 PolarHBondContact O-N 3.48Å; L243-G247 PolarHBondContact O-N 3.06Å; L243-G247 VanDerWaalsContact O-N 3.15Å
244K60.7Low63.8Low145 Ų14592 Ų9263%0.6351%0.51SS*.Hα-helixtrans-68.7-39.1175.2-74173.6-177.5171.30112.1D240 L241 Q242 I248D240-K244 WeakPolarHBondContact O-CG 3.37Å; D240-K244 PolarHBondContact O-N 3.21Å; L241-K244 PolarHBondContact O-N 3.41Å; Q242-K244 VanDerWaalsContact C-N 3.3Å; Q242-K244 PolarHBondContact O-N 3.24Å; K244-I248 WeakPolarHBondContact O-CD1 3.46Å; K244-I248 VanDerWaalsContact O-CG1 3.24Å; K244-I248 WeakPolarHBondContact O-CG1 3.37Å; K244-I248 PolarHBondContact O-N 3.33Å; K244-I248 VanDerWaalsContact O-N 3.17Å
245T58Low62.8Low61 Ų6197.7 Ų97.737%0.37452%0.523SS..Hα-helixtrans-69.6-43.9-178.3-50.50000111.1L241 Q242 I248 Q249L241-T245 WeakPolarHBondContact O-CB 3.43Å; L241-T245 PolarHBondContact O-N 2.88Å; L241-T245 PolarHBondContact O-OG1 2.88Å; Q242-T245 PolarHBondContact O-N 3.31Å; T245-I248 PolarHBondContact O-N 3.44Å; T245-Q249 PolarHBondContact O-N 3.06Å; T245-Q249 VanDerWaalsContact O-N 3.09Å
246D57.5Low61.8Low90 Ų9098.9 Ų98.948%0.48153%0.525SS..Hα-helixtrans-65.6-40.1178.2-67.7-16.2000111.4Q242 I248 Q249 Q250Q242-D246 PolarHBondContact O-N 2.92Å; D246-I248 VanDerWaalsContact C-N 3.33Å; D246-I248 PolarHBondContact O-N 3.23Å; D246-Q249 PolarHBondContact O-N 2.99Å; D246-Q250 PolarHBondContact O-N 2.97Å
247G56Low60.7Low39 Ų3998.2 Ų98.240%0.40253%0.525SS..Hα-helixtrans-61.1-38.5174.600000113.2L243 A251L243-G247 PolarHBondContact O-N 3.06Å; L243-G247 VanDerWaalsContact O-N 3.15Å; G247-A251 WeakPolarHBondContact O-CB 3.5Å; G247-A251 PolarHBondContact O-N 2.9Å; G247-A251 VanDerWaalsContact O-N 3.07Å
248I58.3Low59.9Low117 Ų11798.3 Ų98.360%0.653%0.526SS*.Hα-helixtrans-67.9-43.6176.6-67.4163.7000110.7K244 T245 D246 A251 E252K244-I248 WeakPolarHBondContact O-CD1 3.46Å; K244-I248 VanDerWaalsContact O-CG1 3.24Å; K244-I248 WeakPolarHBondContact O-CG1 3.37Å; K244-I248 PolarHBondContact O-N 3.33Å; K244-I248 VanDerWaalsContact O-N 3.17Å; T245-I248 PolarHBondContact O-N 3.44Å; D246-I248 VanDerWaalsContact C-N 3.33Å; D246-I248 PolarHBondContact O-N 3.23Å; I248-A251 PolarHBondContact O-N 3.21Å; I248-E252 PolarHBondContact O-N 3.15Å
249Q59.2Low59.2Low110 Ų11097.7 Ų97.751%0.51453%0.53SS..Hα-helixtrans-64.9-41179.5-69.7-174.816.100112.3T245 D246 E252 Q253T245-Q249 PolarHBondContact O-N 3.06Å; T245-Q249 VanDerWaalsContact O-N 3.09Å; D246-Q249 PolarHBondContact O-N 2.99Å; Q249-E252 PolarHBondContact O-N 3.27Å; Q249-Q253 PolarHBondContact O-N 3.4Å
250Q62Low58.6Low146 Ų146101 Ų10168%0.68255%0.545SS*.Hα-helixtrans-63.7-42.2174.5-76.8-170.4-400112D246 E252 Q253 A254D246-Q250 PolarHBondContact O-N 2.97Å; Q250-E252 VanDerWaalsContact C-N 3.32Å; Q250-E252 PolarHBondContact O-N 3.17Å; Q250-Q253 PolarHBondContact O-N 3.34Å; Q250-A254 WeakPolarHBondContact O-CB 3.29Å; Q250-A254 PolarHBondContact O-N 3.28Å
251A58.7Low57.9Low54 Ų54105 Ų10545%0.44656%0.559SS.*Hα-helixtrans-64.2-36.4177.200000112.4G247 I248 K255G247-A251 WeakPolarHBondContact O-CB 3.5Å; G247-A251 PolarHBondContact O-N 2.9Å; G247-A251 VanDerWaalsContact O-N 3.07Å; I248-A251 PolarHBondContact O-N 3.21Å; A251-K255 PolarHBondContact O-N 3.2Å; A251-K255 VanDerWaalsContact O-N 3.16Å
252E56.9Low57Low99 Ų99107.8 Ų107.846%0.46357%0.568SS.*Hα-helixtrans-70.7-39.8176.7-156.1-166.1138.300112.1I248 Q249 Q250 K255 K256I248-E252 PolarHBondContact O-N 3.15Å; Q249-E252 PolarHBondContact O-N 3.27Å; Q250-E252 VanDerWaalsContact C-N 3.32Å; Q250-E252 PolarHBondContact O-N 3.17Å; E252-K255 PolarHBondContact O-N 2.97Å; E252-K256 PolarHBondContact O-N 3.11Å; E252-K256 VanDerWaalsContact O-N 3.11Å; E252-K256 VanDerWaalsContact OE1-CE 3.3Å; E252-K256 WeakPolarHBondContact OE1-CE 3.48Å; E252-K256 IonicContact OE1-NZ 2.76Å; E252-K256 PolarHBondContact OE1-NZ 2.92Å
253Q63.5Low56Low134 Ų134105.9 Ų105.963%0.62658%0.578SS**Hα-helixtrans-63.3-43.1173.3-76.7-172.90.900111.7Q249 Q250 K255 K256 V257Q249-Q253 PolarHBondContact O-N 3.4Å; Q250-Q253 PolarHBondContact O-N 3.34Å; Q253-K255 VanDerWaalsContact C-N 3.28Å; Q253-K255 PolarHBondContact O-N 3.02Å; Q253-K256 PolarHBondContact O-N 3.02Å; Q253-K256 VanDerWaalsContact O-N 3.13Å; Q253-V257 WeakPolarHBondContact O-CG2 3.49Å; Q253-V257 PolarHBondContact O-N 3.05Å
254A59Low55.4Low61 Ų61103.8 Ų103.850%0.50458%0.578SS.*Hα-helixtrans-59.6-38.8176.800000112.1Q250 V257 A258Q250-A254 WeakPolarHBondContact O-CB 3.29Å; Q250-A254 PolarHBondContact O-N 3.28Å; A254-V257 PolarHBondContact O-N 3.39Å; A254-A258 PolarHBondContact O-N 2.77Å
255K59.1Low54.3Low158 Ų158103.9 Ų103.969%0.68759%0.585SS**Hα-helixtrans-64.8-41.2174.1-78.2-176.9178.9-179.50112.9A251 E252 Q253 V257 A258 T259A251-K255 PolarHBondContact O-N 3.2Å; A251-K255 VanDerWaalsContact O-N 3.16Å; E252-K255 PolarHBondContact O-N 2.97Å; Q253-K255 VanDerWaalsContact C-N 3.28Å; Q253-K255 PolarHBondContact O-N 3.02Å; K255-V257 VanDerWaalsContact C-N 3.33Å; K255-V257 PolarHBondContact O-N 3.35Å; K255-A258 PolarHBondContact O-N 2.85Å; K255-T259 PolarHBondContact O-N 2.89Å; K255-T259 VanDerWaalsContact O-N 3.09Å; K255-T259 PolarHBondContact O-OG1 2.88Å
256K57.4Low53.7Low119 Ų119107.4 Ų107.452%0.51760%0.6SS.*Hα-helixtrans-64.6-37.6176.5-71.7174.8-174.6163.70111.9E252 Q253 T259 T260E252-K256 PolarHBondContact O-N 3.11Å; E252-K256 VanDerWaalsContact O-N 3.11Å; E252-K256 VanDerWaalsContact OE1-CE 3.3Å; E252-K256 WeakPolarHBondContact OE1-CE 3.48Å; E252-K256 IonicContact OE1-NZ 2.76Å; E252-K256 PolarHBondContact OE1-NZ 2.92Å; Q253-K256 PolarHBondContact O-N 3.02Å; Q253-K256 VanDerWaalsContact O-N 3.13Å; K256-T259 PolarHBondContact O-OG1 3.26Å; K256-T260 PolarHBondContact O-N 3.18Å; K256-T260 PolarHBondContact O-OG1 2.87Å
257V55.9Low52.8Low87 Ų87109.1 Ų109.153%0.52761%0.61SS.*Hα-helixtrans-67.8-39.1175.6176.60000111.3Q253 A254 K255 T260 K261Q253-V257 WeakPolarHBondContact O-CG2 3.49Å; Q253-V257 PolarHBondContact O-N 3.05Å; A254-V257 PolarHBondContact O-N 3.39Å; K255-V257 VanDerWaalsContact C-N 3.33Å; K255-V257 PolarHBondContact O-N 3.35Å; V257-T260 PolarHBondContact O-N 3.49Å; V257-K261 PolarHBondContact O-N 3.18Å
258A55Low52.4Low61 Ų61115 Ų11550%0.50463%0.631SS.*Hα-helixtrans-65.4-42.8178.500000112.8A254 K255 T260 K261A254-A258 PolarHBondContact O-N 2.77Å; K255-A258 PolarHBondContact O-N 2.85Å; A258-T260 PolarHBondContact O-N 3.15Å; A258-K261 PolarHBondContact O-N 3.29Å
259T56Low51.6Low96 Ų96114.9 Ų114.959%0.58964%0.636SS**Hα-helixtrans-70.1-31.7178.949.70000112.7K255 K256 K261 Q262K255-T259 PolarHBondContact O-N 2.89Å; K255-T259 VanDerWaalsContact O-N 3.09Å; K255-T259 PolarHBondContact O-OG1 2.88Å; K256-T259 PolarHBondContact O-OG1 3.26Å; T259-K261 PolarHBondContact O-N 3.03Å; T259-Q262 PolarHBondContact O-N 2.9Å
260T52.4Low50.7Low114 Ų114118.3 Ų118.370%0.69965%0.649SS**Hα-helixtrans-67.8-25.7178.2-46.10000112.2K256 V257 A258K256-T260 PolarHBondContact O-N 3.18Å; K256-T260 PolarHBondContact O-OG1 2.87Å; V257-T260 PolarHBondContact O-N 3.49Å; A258-T260 PolarHBondContact O-N 3.15Å
261K51.8Low49.5Very low171 Ų171116.9 Ų116.974%0.74365%0.653SS**G310 helixtrans-84.7-9.2177.3-70.3-171.6178.7-176.60114.9V257 A258 T259V257-K261 PolarHBondContact O-N 3.18Å; A258-K261 PolarHBondContact O-N 3.29Å; T259-K261 PolarHBondContact O-N 3.03Å
262Q43.3Very low48.8Very low172 Ų172120 Ų12080%0.80467%0.668SS**G310 helixtrans-89.9-0.9175.7-85.2-175.9-18.900114.2T259 A264T259-Q262 PolarHBondContact O-N 2.9Å; Q262-A264 VanDerWaalsContact C-N 3.32Å; Q262-A264 PolarHBondContact O-N 2.99Å
263G36.9Very low48.2Very low67 Ų67120 Ų12069%0.69169%0.685SS**G310 helixtrans-81.62178.300000115.9N265G263-N265 VanDerWaalsContact C-N 3.33Å; G263-N265 PolarHBondContact O-N 3.08Å
264A45.5Very low47Very low78 Ų78121 Ų12165%0.64569%0.693SS**  trans-77.388.5174.800000109.2Q262 I266Q262-A264 VanDerWaalsContact C-N 3.32Å; Q262-A264 PolarHBondContact O-N 2.99Å; A264-I266 VanDerWaalsContact O-CG1 3.27Å; A264-I266 WeakPolarHBondContact O-CG1 3.38Å; A264-I266 PolarHBondContact O-N 2.96Å
265N39Very low45.8Very low148 Ų148123 Ų12379%0.79170%0.702SS**  trans-5297170.8-164.9-1.4000109.3G263 N267G263-N265 VanDerWaalsContact C-N 3.33Å; G263-N265 PolarHBondContact O-N 3.08Å; N265-N267 PolarHBondContact O-N 3.05Å
266I45.1Very low44.8Very low134 Ų134122 Ų12269%0.68771%0.71SS**  trans-73.797.1-179.5-46.4178.9000106.4A264 L268A264-I266 VanDerWaalsContact O-CG1 3.27Å; A264-I266 WeakPolarHBondContact O-CG1 3.38Å; A264-I266 PolarHBondContact O-N 2.96Å; I266-L268 PolarHBondContact O-N 3.05Å
267N38.6Very low43.6Very low127 Ų127121.6 Ų121.668%0.67972%0.72SS**  trans-6197.5169.4-113.6-48.1000108.3N265 T269N265-N267 PolarHBondContact O-N 3.05Å; N267-T269 PolarHBondContact O-N 3.41Å
268L47.4Very low42.6Very low162 Ų162121.5 Ų121.585%0.84873%0.729SS**THydrogen-bonded Turntrans-70.816.9180-73.4166.7000113.8I266I266-L268 PolarHBondContact O-N 3.05Å
269T41.9Very low41.7Very low115 Ų115125.5 Ų125.571%0.70675%0.747SS**THydrogen-bonded Turntrans-90.76.4-176.339.90000114.4N267N267-T269 PolarHBondContact O-N 3.41Å
270K39.1Very low40.5Very low181 Ų181127.6 Ų127.679%0.78776%0.755SS**SBendtrans-124.1121.8169-69.4-176.1-179178.60110.1
271P37.8Very low39.8Very low117 Ų117128.6 Ų128.676%0.7676%0.763SS**PPolyproline II helixtrans-59.3141179.823.7-31.7000109.9A273P271-A273 PolarHBondContact O-N 3.08Å
272P44.6Very low38.9Very low118 Ų118125 Ų12577%0.76677%0.765SS**PPolyproline II helixtrans-59.9128.8-178.624-32.3000109.6I274P272-I274 PolarHBondContact O-N 3.07Å; P272-I274 VanDerWaalsContact O-N 3.09Å
273A43.5Very low38.3Very low100 Ų100121.8 Ų121.883%0.82677%0.768SS**PPolyproline II helixtrans-55.2117176.700000109.3P271 C275P271-A273 PolarHBondContact O-N 3.08Å; A273-C275 PolarHBondContact O-N 3.39Å; A273-C275 VanDerWaalsContact O-N 3.12Å
274I38Very low37.9Very low155 Ų155122.4 Ų122.480%0.79577%0.774SS**  trans-65.1112.7178.9-57169000106.8P272 T276P272-I274 PolarHBondContact O-N 3.07Å; P272-I274 VanDerWaalsContact O-N 3.09Å; I274-T276 PolarHBondContact O-N 2.76Å; I274-T276 VanDerWaalsContact O-N 3.15Å
275C34.2Very low37.1Very low102 Ų102125.7 Ų125.769%0.68979%0.787SS**  trans-69.5105.8176.7-1770000109.3A273 C277A273-C275 PolarHBondContact O-N 3.39Å; A273-C275 VanDerWaalsContact O-N 3.12Å; C275-C277 PolarHBondContact O-N 3.47Å
276T38.6Very low36.7Very low139 Ų139123.1 Ų123.185%0.85379%0.786SS**  trans-7466.1172.712.20000110.3I274I274-T276 PolarHBondContact O-N 2.76Å; I274-T276 VanDerWaalsContact O-N 3.15Å
277C30.8Very low35.8Very low109 Ų109122 Ų12274%0.73679%0.79SS**  trans-136.356.5168.7-570000109.2C275C275-C277 PolarHBondContact O-N 3.47Å
278A35.2Very low35.4Very low86 Ų86121.7 Ų121.771%0.71179%0.792SS**  trans-120.279.7167.300000107.8N280A278-N280 VanDerWaalsContact C-N 3.31Å; A278-N280 PolarHBondContact O-N 2.75Å
279T36Very low34.5Very low144 Ų144123.1 Ų123.188%0.88379%0.792SS**  trans-64.197.6165.8-50.50000107.6
280N31.2Very low33.7Very low141 Ų141126.3 Ų126.375%0.75480%0.798SS**  trans23.3113164.5-72.7-20.2000119.3A278 A282A278-N280 VanDerWaalsContact C-N 3.31Å; A278-N280 PolarHBondContact O-N 2.75Å; N280-A282 PolarHBondContact O-N 3.07Å
281P37.1Very low33.4Very low135 Ų135126.9 Ų126.988%0.87780%0.803SS**  trans-80.593.8164.233-28.6000109.6
282A33.5Very low32.9Very low94 Ų94128 Ų12878%0.77780%0.798SS**  trans-93.1100.1169.600000110.2N280N280-A282 PolarHBondContact O-N 3.07Å
283A30.4Very low32.4Very low106 Ų106130.4 Ų130.488%0.87680%0.797SS**  trans27111.5149.300000119
284G28.8Very low32.1Very low79 Ų79134.9 Ų134.981%0.81480%0.801SS**  trans-17280.3166.600000112.2A286G284-A286 PolarHBondContact O-N 2.83Å
285T28.2Very low32.2Very low147 Ų147132.2 Ų132.290%0.90280%0.802SS**  trans-63.1118.1167.841.70000111.1
286A30.3Very low32.3Very low95 Ų95130.4 Ų130.479%0.78580%0.8SS**  trans171.5113.9140.400000112.6G284G284-A286 PolarHBondContact O-N 2.83Å
287S26Very low32.5Very low109 Ų109133 Ų13376%0.76280%0.8SS**  trans33.8110.8135.1-158.50000121.3
288V29.9Very low33.3Very low121 Ų121134 Ų13473%0.73380%0.796SS**  trans56.199.7131.6-173.10000119.3
289K28.4Very low33.9Very low192 Ų192137.4 Ų137.484%0.83580%0.801SS**  168.8133.7118.8-95.2169.9-173.4-178.20112.2
290H26.6Very low34.3Very low182 Ų182136 Ų13684%0.84378%0.784SS**  trans15.8110.4155.6-91.6-93.8000118
291H31.6Very low35.1Very low193 Ų193134 Ų13489%0.89478%0.781SS**  trans-123.1105.8145.4-113.1-78.7000109.6
292E28.5Very low35.4Very low140 Ų140132.9 Ų132.965%0.65478%0.784SS**  trans-55.7148.7158.8-154.5-170.1129.100109.8
293K34.5Very low35.8Very low170 Ų170132.2 Ų132.274%0.73979%0.786SS**  trans74.3103168.4-61.8169.7179.2161.30116.4
294Q37Very low36.2Very low194 Ų194129.4 Ų129.491%0.90776%0.76SS**  -140.8120105.3-9817426.100107.5G296Q294-G296 VanDerWaalsContact C-N 3.26Å; Q294-G296 PolarHBondContact O-N 2.96Å
295A39.8Very low37.4Very low98 Ų98131.3 Ų131.381%0.8176%0.757SS**  trans-57.297.9164.800000106.6K297A295-K297 VanDerWaalsContact C-N 3.32Å; A295-K297 PolarHBondContact O-N 3.37Å
296G36.2Very low38.3Very low64 Ų64132 Ų13266%0.6675%0.754SS**  trans-62.199.7175.200000107Q294 I298Q294-G296 VanDerWaalsContact C-N 3.26Å; Q294-G296 PolarHBondContact O-N 2.96Å; G296-I298 PolarHBondContact O-N 3.29Å
297K42.5Very low38.8Very low193 Ų193129.4 Ų129.484%0.83974%0.738SS**  trans-59106165.6-69.9-175.9177.2-170.60105.6A295 I299A295-K297 VanDerWaalsContact C-N 3.32Å; A295-K297 PolarHBondContact O-N 3.37Å; K297-I299 VanDerWaalsContact C-N 3.29Å; K297-I299 PolarHBondContact O-N 2.78Å
298I47.6Very low39.3Very low130 Ų130131 Ų13167%0.66774%0.738SS**  trans-7393.8175.2-55.8175.4000105.3G296 H300G296-I298 PolarHBondContact O-N 3.29Å; I298-H300 WeakPolarHBondContact CG2-CE1 3.43Å; I298-H300 WeakPolarHBondContact CG2-NE2 3.44Å; I298-H300 PolarHBondContact O-CD2 3.09Å; I298-H300 PolarHBondContact O-N 2.78Å; I298-H300 VanDerWaalsContact O-N 3.09Å
299I47.7Very low39.9Very low158 Ų158134.4 Ų134.481%0.8175%0.745SS**  trans-74.999.9173.2-56.3172000105.8K297K297-I299 VanDerWaalsContact C-N 3.29Å; K297-I299 PolarHBondContact O-N 2.78Å
300H45.4Very low40.6Very low114 Ų114129.3 Ų129.353%0.52874%0.739SS.*PPolyproline II helixtrans-71.2127.1173.1-67.2-72.3000108.8I298 C304I298-H300 WeakPolarHBondContact CG2-CE1 3.43Å; I298-H300 WeakPolarHBondContact CG2-NE2 3.44Å; I298-H300 PolarHBondContact O-CD2 3.09Å; I298-H300 PolarHBondContact O-N 2.78Å; I298-H300 VanDerWaalsContact O-N 3.09Å; H300-C304 HydrophobicContact CB-CB 4.09Å
301S48Very low41.1Very low99 Ų99129.5 Ų129.569%0.69274%0.741SS**PPolyproline II helixtrans-59.7140.6173.2500000110.7G303 C304S301-G303 PolarHBondContact O-N 3.4Å; S301-C304 PolarHBondContact O-N 3.13Å
302A42.2Very low41.2Very low113 Ų113129 Ų12993%0.93474%0.738SS**THydrogen-bonded Turntrans-47.1122.1179.200000111.5
303G43.1Very low41.6Very low80 Ų80128.6 Ų128.683%0.82575%0.751SS**THydrogen-bonded Turntrans108.511.3-17800000115.9S301 P305S301-G303 PolarHBondContact O-N 3.4Å; G303-P305 VanDerWaalsContact O-CD 3.32Å; G303-P305 WeakPolarHBondContact O-CD 3.46Å
304C38.2Very low41.7Very low47 Ų47129.3 Ų129.332%0.31876%0.757SS.*  trans-83.9112.1170.8-159.60000110.2H300 S301 L306 G307H300-C304 HydrophobicContact CB-CB 4.09Å; S301-C304 PolarHBondContact O-N 3.13Å; C304-L306 PolarHBondContact O-N 3.37Å; C304-G307 PolarHBondContact O-N 3.37Å; C304-G307 VanDerWaalsContact O-N 3.16Å
305P53Low41.5Very low118 Ų118128.4 Ų128.477%0.76676%0.757SS**THydrogen-bonded Turntrans-72.517.6-17530.7-36.7000114.5G303G303-P305 VanDerWaalsContact O-CD 3.32Å; G303-P305 WeakPolarHBondContact O-CD 3.46Å
306L48.1Very low41.5Very low161 Ų161129.6 Ų129.684%0.84376%0.76SS**THydrogen-bonded Turntrans-1106.1172.5-70.9169.1000112.2C304C304-L306 PolarHBondContact O-N 3.37Å
307G39.8Very low41.2Very low42 Ų42129.9 Ų129.943%0.43376%0.763SS.*SBendtrans-102.4-5.6-177.100000116.3C304 E309C304-G307 PolarHBondContact O-N 3.37Å; C304-G307 VanDerWaalsContact O-N 3.16Å; G307-E309 PolarHBondContact O-N 3.39Å
308D37.4Very low40.7Very low143 Ų143126 Ų12677%0.76576%0.76SS**THydrogen-bonded Turntrans-919.2-165.8-70.3-21.3000115.5
309E42.6Very low40.1Very low191 Ų191124.2 Ų124.289%0.89376%0.759SS**THydrogen-bonded Turntrans-134.938.6-176.5-64.9-75.9159.400112.6G307G307-E309 PolarHBondContact O-N 3.39Å
310A43.8Very low39.4Very low85 Ų85126 Ų12670%0.70276%0.764SS**SBendtrans-138.114.8-176.200000117.1
311E35.4Very low38.9Very low187 Ų187124.2 Ų124.287%0.87478%0.777SS**  trans-150.4113.8167.4-60.9-163.8178.100105.3
312E35.3Very low38Very low182 Ų182127.6 Ų127.685%0.8579%0.786SS**  -167.4124.474-71.2-176.2163.800109.4
313S36.7Very low37.5Very low131 Ų131130.4 Ų130.492%0.91678%0.78SS**  trans-166.979.5145.2-83.20000107.5L315S313-L315 PolarHBondContact O-N 3.49Å
314E36.2Very low37.1Very low186 Ų186134 Ų13487%0.86978%0.775SS**  trans-63.4124.5173.7-60.1-172.6139.100110.8
315L33Very low37.1Very low174 Ų174141 Ų14191%0.91180%0.803SS**  trans16.4111.6132.8-64.8162.5000117.4S313S313-L315 PolarHBondContact O-N 3.49Å
316S38.5Very low36.4Very low123 Ų123142.6 Ų142.686%0.8680%0.798SS**  trans-157.3129.1142.975.40000112.8
317G31.8Very low36Very low71 Ų71141.3 Ų141.373%0.73279%0.792SS**  trans96.183.8159.500000115.9
318S31.1Very low35.8Very low111 Ų111149.3 Ų149.378%0.77681%0.814SS**  55.994.387.6-148.20000111.8
319S34.1Very low35.8Very low92 Ų92146.8 Ų146.864%0.64381%0.813SS**  64.5134.394.374.80000115.3
320E34.1Very low35.6Very low196 Ų196144.8 Ų144.892%0.91681%0.809SS**  trans89.4104.5166.1-54.9-169.1142.600117.2
321G34Very low35.4Very low77 Ų77150.3 Ų150.379%0.79482%0.817SS**  trans-175.249.6173.400000110.9
322L29.8Very low35.5Very low169 Ų169152 Ų15289%0.88582%0.816SS**  trans-61.5151.7158.8-88.7158.7000109
323Q32.8Very low35.6Very low173 Ų173152.9 Ų152.981%0.80882%0.817SS**  trans8998.4170.8-53.6-178-11.700116.5
324H34.4Very low35.9Very low155 Ų155152.4 Ų152.472%0.71881%0.813SS**  -158.691.3116.9-107.7-63.5000110.5K326H324-K326 PolarHBondContact O-N 3.37Å
325E37.5Very low36Very low194 Ų194151.2 Ų151.291%0.90781%0.813SS**  trans-61.6119.7145-171.4179-171.700106.7
326K38.4Very low36.1Very low152 Ų152150.9 Ų150.966%0.66181%0.806SS**  trans-145.9112.8166.7-104.3-170.4173.21660112.2H324H324-K326 PolarHBondContact O-N 3.37Å
327D39Very low36.3Very low133 Ų133150.9 Ų150.971%0.71180%0.801SS**  trans78.884.7133-56.7-22.4000119A329D327-A329 PolarHBondContact O-N 3.44Å
328K35.6Very low36.6Very low210 Ų210153.9 Ų153.991%0.91380%0.801SS**  -46.8117.3128.9-69174.6178.6170.70110
329A38.3Very low37Very low90 Ų90157.2 Ų157.274%0.74480%0.801SS**  trans165.5121.5133.700000110.9D327D327-A329 PolarHBondContact O-N 3.44Å
330N38.8Very low37.3Very low149 Ų149158.4 Ų158.480%0.79780%0.804SS**  trans-143.683.9136.6-130-14.6000110.7
331K37.8Very low37.8Very low201 Ų201156.7 Ų156.787%0.87480%0.801SS**  trans-84.4110.3151.2-100.9-179.1174.1174.80107.1
332R39.6Very low37.9Very low224 Ų224156.2 Ų156.285%0.84579%0.79SS**  trans-137.999.4152.9-74.1-172.3175.4-169.7-1.3105.3
333K36.9Very low38Very low200 Ų200155.9 Ų155.987%0.8779%0.788SS**  42.4108.575.3-79.6-164.6177.4-175.40113
334S41.5Very low38.5Very low121 Ų121156.8 Ų156.885%0.84681%0.809SS**  -173.1112.5124.147.70000109.8
335N38.5Very low38.7Very low161 Ų161156.9 Ų156.986%0.86181%0.814SS**  trans-59.6172.1159.3-82.3-21.3000110.9
336E36Very low38.7Very low166 Ų166154.9 Ų154.978%0.77681%0.809SS**  trans100.995.7148.2-152.7169.8-173.200116
337V42.3Very low38.8Very low123 Ų123155.1 Ų155.175%0.74582%0.817SS**  trans-136.885.8136.3-174.30000107K339V337-K339 HydrophobicContact CG1-CD 4.34Å; V337-K339 HydrophobicContact CG1-CG 3.97Å; V337-K339 PolarHBondContact O-N 3.45Å
338D37.3Very low38.7Very low135 Ų135156.4 Ų156.472%0.72282%0.823SS**  trans-61.5116.8152.3-90-39.8000107.8
339K40.7Very low38.9Very low180 Ų180153.1 Ų153.178%0.78382%0.818SS**  trans-115.885.1159.8-90.3-177179.8-175.60108.4V337 N341V337-K339 HydrophobicContact CG1-CD 4.34Å; V337-K339 HydrophobicContact CG1-CG 3.97Å; V337-K339 PolarHBondContact O-N 3.45Å; K339-N341 PolarHBondContact O-N 2.91Å; K339-N341 VanDerWaalsContact O-N 3.13Å
340V41Very low39Very low118 Ų118157.3 Ų157.372%0.71582%0.823SS**  trans-53.7104.7152.1-178.40000107.4A342V340-A342 HydrophobicContact CG1-CB 3.97Å
341N42.8Very low39Very low160 Ų160157.9 Ų157.986%0.85682%0.824SS**  trans-102.790.9152.2-91.5-3.4000106.3K339K339-N341 PolarHBondContact O-N 2.91Å; K339-N341 VanDerWaalsContact O-N 3.13Å
342A36.3Very low39.1Very low67 Ų67154.5 Ų154.555%0.55482%0.821SS**  trans-79.7153.9162.100000109.5V340V340-A342 HydrophobicContact CG1-CB 3.97Å
343L32.6Very low39.1Very low161 Ų161148.8 Ų148.884%0.84382%0.819SS**  trans98.1147.3152.6-61.7159.6000118.6
344P42.7Very low39.2Very low193 Ų193144.1 Ų144.1100%1.25381%0.814SS**  cis-100.80-0.835-24.6000114.3

Retrieved 344 of 344 residues in 114.3 ms (Link to these results)