A0A096N2V3_PAPAN Loading...

Histone RNA hairpin-binding protein

RNA-binding protein involved in the histone pre-mRNA processing. Binds the stem-loop structure of replication-dependent histone pre-mRNAs and contributes to efficient 3'-end processing by stabilizing the complex between histone pre-mRNA and U7 small nuclear ribonucleoprotein (snRNP), via the histone downstream element (HDE). Plays an important role in targeting mature histone mRNA from the nucleus to the cytoplasm and to the translation machinery. Stabilizes mature histone mRNA and could be involved in cell-cycle regulation of histone gene expression. Involved in the mechanism by which growing oocytes accumulate histone proteins that support early embryogenesis. Binds to the 5' side of the stem-loop structure of histone pre-mRNAs.

AlphaFold DB (A0A7N9CP04), UniProt , Accession A0A096N2V3, Species PAPAN (Papio anubis, Olive baboon), Gene SLBP, Length 277 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36Very low44.8Very low239 Ų239171.5 Ų171.5100%1.17787%0.871SS**  0101.80-67-175.3170.300106.5
2A42.1Very low44.3Very low93 Ų93170.8 Ų170.877%0.76986%0.862SS**  67126.691.500000110.8
3C38.9Very low43.5Very low127 Ų127166.9 Ų166.986%0.85886%0.861SS**  cis-166160.613-86.40000109.2
4R43.2Very low43.1Very low238 Ų238170.8 Ų170.890%0.89886%0.859SS**  trans-66.5163.7155.1-86.1-171.5-178.3-137.92.4109.9
5P55.2Low42.8Very low115 Ų115167.4 Ų167.475%0.74786%0.856SS**  -161.5167.164.241.1-16.8000121.5
6R43.8Very low42.5Very low246 Ų246167 Ų16793%0.92886%0.856SS**  trans54.3131.6138.1-71.6178.1169.2-143.8-1.5124.7
7S40.8Very low42.2Very low114 Ų114161.4 Ų161.480%0.79785%0.849SS**  trans-70.8171.9168.4-35.90000115.8
8P57Low42Very low120 Ų120161.8 Ų161.878%0.77985%0.852SS**  trans-137.8-169.9136.845.6-30.9000112.2
9P51.2Low42.1Very low129 Ų129158.4 Ų158.484%0.83885%0.849SS**  -123.9178-10329.3-5.4000116.8
10R47.4Very low42.4Very low231 Ų231156.2 Ų156.287%0.87285%0.847SS**  trans-65151176.7-74.2178.8168.3-162.1-3.8115.2
11Y36.9Very low43.1Very low234 Ų234154.4 Ų154.492%0.91884%0.843SS**  trans-154.3146.8136.9-145.9-101.2000112.7
12Q39Very low43.9Very low163 Ų163149 Ų14976%0.76283%0.825SS**  trans-87.1157.1-176.5-62.5165.121.400111.5
13S34.3Very low44.4Very low121 Ų121149.7 Ų149.785%0.84683%0.825SS**  171.8158.3119.5-161.60000113
14R36.9Very low45Very low221 Ų221149.9 Ų149.983%0.83482%0.824SS**  trans-78.8155-165.6-62.9162.3167.2-155.9-3116.4
15C39.8Very low45.4Very low120 Ų120143.4 Ų143.481%0.81182%0.822SS**  trans-175.7110.5130.232.40000107.9
16D37.7Very low45.1Very low161 Ų161148.6 Ų148.686%0.86183%0.827SS**  74.5121.285.2-79.3-52.9000115.3
17G36.4Very low44.9Very low71 Ų71147.9 Ų147.973%0.73282%0.824SS**  trans104.488.4149.400000117.9
18D40.1Very low45.2Very low170 Ų170148.1 Ų148.191%0.90983%0.825SS**  -165.1117.8120-114.8-28.8000111.9
19A42.5Very low44.8Very low96 Ų96149.2 Ų149.279%0.79382%0.824SS**  trans-91.7109.5-179.800000109.5
20S48Very low44.6Very low115 Ų115147 Ų14780%0.80483%0.825SS**PPolyproline II helixtrans-88.5126.2164-71.50000109.7
21P57.1Low45.3Very low118 Ų118143.9 Ų143.977%0.76681%0.813SS**PPolyproline II helixtrans-73.6140.3177.828.6-31.5000110.8
22P54.6Low46.4Very low125 Ų125141.8 Ų141.881%0.81281%0.809SS**PPolyproline II helixtrans-70.3137.9174.527.7-31.9000111.2
23S51.2Low47.7Very low109 Ų109142.2 Ų142.276%0.76280%0.803SS**PPolyproline II helixtrans-52.8142.2178.4370000113.6A25S23-A25 PolarHBondContact O-N 3.11Å
24P52.9Low49.2Very low130 Ų130140.2 Ų140.284%0.84478%0.777SS**PPolyproline II helixtrans-71.5127.8-172.228.2-32.7000111.8
25A51.6Low50.6Low102 Ų102135.4 Ų135.484%0.84379%0.785SS**PPolyproline II helixtrans-66.1133.1179.800000112.5S23 W27S23-A25 PolarHBondContact O-N 3.11Å; A25-W27 PolarHBondContact O-N 3.23Å
26R47.2Very low52.1Low225 Ų225134.8 Ų134.885%0.84977%0.774SS**SBendtrans-43.7114.4168-168.8178.2-170.5-136.44.4112.3
27W40Very low53.3Low231 Ų231128.9 Ų128.988%0.87575%0.751SS**  trans24.2107.1167-56.7-46.2000117.8A25 L29A25-W27 PolarHBondContact O-N 3.23Å; W27-L29 PolarHBondContact O-N 3.35Å
28S48.2Very low55Low118 Ų118134.1 Ų134.183%0.82575%0.749SS**  trans-67.8119.6164.745.10000110.4G30S28-G30 PolarHBondContact O-N 2.89Å
29L47.5Very low56.1Low143 Ų143133.5 Ų133.575%0.74973%0.733SS**  trans-51.8108.2166-75.6155.8000109W27 R31W27-L29 PolarHBondContact O-N 3.35Å; L29-R31 PolarHBondContact O-N 3.41Å
30G47Very low56.8Low83 Ų83134.9 Ų134.986%0.85672%0.718SS**  trans-63.293.3176.800000110.8S28S28-G30 PolarHBondContact O-N 2.89Å
31R61.6Low58Low165 Ų165137 Ų13762%0.62371%0.709SS**PPolyproline II helixtrans-80.7119.7172.2-60.7-176.7-150-99.42108L29 R33L29-R31 PolarHBondContact O-N 3.41Å; R31-R33 PolarHBondContact O-N 2.99Å
32K60.1Low58.1Low190 Ų190136.6 Ų136.683%0.82671%0.706SS**PPolyproline II helixtrans-53.3117.1-177.3-150.9169.7-178.2-1780109.8
33R67.8Low58.2Low172 Ų172137.3 Ų137.365%0.64970%0.698SS**BIsolated β-bridgetrans-97.8153.2175.1-68175.3-179.2-93.91.6108.8R31 G37R31-R33 PolarHBondContact O-N 2.99Å; R33-G37 PolarHBondContact NH1-O 3.45Å
34R65.6Low58.6Low79 Ų79134.3 Ų134.330%0.29867%0.674SS.*PPolyproline II helixtrans-69.5167169.5-74.6179.7173.3-87.9-20.3110D36 G37 R38 W40 D44R34-D36 WeakPolarHBondContact CB-OD1 3.25Å; R34-D36 PolarHBondContact O-N 3.26Å; R34-D36 VanDerWaalsContact O-N 3.16Å; R34-G37 PolarHBondContact O-N 2.96Å; R34-R38 PolarHBondContact N-O 3.36Å; R34-R38 VanDerWaalsContact N-O 3.11Å; R34-W40 HydrophobicContact CG-CD2 4.38Å; R34-W40 HydrophobicContact CG-CE3 3.45Å; R34-W40 VanDerWaalsContact CG-CE3 3.45Å; R34-W40 HydrophobicContact CG-CZ3 3.9Å; R34-W40 VanDerWaalsContact CZ-CZ3 3.49Å; R34-D44 VanDerWaalsContact CZ-CB 3.46Å; R34-D44 IonicContact CZ-OD2 3.49Å; R34-D44 IonicContact NE-OD2 3.05Å; R34-D44 PolarHBondContact NE-OD2 3.3Å; R34-D44 PolarHBondContact NH2-O 3.12Å; R34-D44 IonicContact NH2-OD2 3.75Å
35A66.6Low58.9Low121 Ų121130.3 Ų130.3100%165%0.652SS**THydrogen-bonded Turntrans-61.7-20.6-178.900000113.5G37A35-G37 VanDerWaalsContact C-N 3.35Å
36D70.9Confident59.1Low107 Ų107131.5 Ų131.557%0.57264%0.64SS**THydrogen-bonded Turntrans-883.5173.369-26.9000113.4R34 R38R34-D36 WeakPolarHBondContact CB-OD1 3.25Å; R34-D36 PolarHBondContact O-N 3.26Å; R34-D36 VanDerWaalsContact O-N 3.16Å; D36-R38 VanDerWaalsContact C-N 3.26Å; D36-R38 PolarHBondContact O-N 3.33Å; D36-R38 PolarHBondContact OD1-N 3.19Å; D36-R38 VanDerWaalsContact OD2-CG 3.25Å; D36-R38 WeakPolarHBondContact OD2-CG 3.24Å
37G63.5Low59.3Low37 Ų37126.3 Ų126.338%0.38163%0.625SS.*SBendtrans78.7-2.6175.600000115.6R33 R34 A35R33-G37 PolarHBondContact NH1-O 3.45Å; R34-G37 PolarHBondContact O-N 2.96Å; A35-G37 VanDerWaalsContact C-N 3.35Å
38R70.9Confident60Low181 Ų181118.9 Ų118.968%0.68361%0.613SS**PPolyproline II helixtrans-70.9151.3173.9-67.5-80.4-159-99.1-0.5110.8R34 D36 W40R34-R38 PolarHBondContact N-O 3.36Å; R34-R38 VanDerWaalsContact N-O 3.11Å; D36-R38 VanDerWaalsContact C-N 3.26Å; D36-R38 PolarHBondContact O-N 3.33Å; D36-R38 PolarHBondContact OD1-N 3.19Å; D36-R38 VanDerWaalsContact OD2-CG 3.25Å; D36-R38 WeakPolarHBondContact OD2-CG 3.24Å; R38-W40 PolarHBondContact O-N 3.22Å
39R63Low60.3Low157 Ų157120.5 Ų120.559%0.59261%0.607SS**BIsolated β-bridgetrans-74.5125.3176.6-171.3-176.6-172.2-81.68.8108.5R41R39-R41 PolarHBondContact O-N 3.04Å
40W58.4Low60.4Low125 Ų125121.7 Ų121.747%0.47361%0.609SS.*PPolyproline II helixtrans-55.7129.2176.5-168.8-74.3000111R34 R38R34-W40 HydrophobicContact CG-CD2 4.38Å; R34-W40 HydrophobicContact CG-CE3 3.45Å; R34-W40 VanDerWaalsContact CG-CE3 3.45Å; R34-W40 HydrophobicContact CG-CZ3 3.9Å; R34-W40 VanDerWaalsContact CZ-CZ3 3.49Å; R38-W40 PolarHBondContact O-N 3.22Å
41R71.8Confident60.4Low159 Ų159127.5 Ų127.560%0.661%0.605SS**  trans-110150.5172.9-69.5-171.3176.6-165.50.2110.4R39 E43 D44R39-R41 PolarHBondContact O-N 3.04Å; R41-E43 PolarHBondContact O-N 3.14Å; R41-D44 PolarHBondContact N-OD2 3.09Å; R41-D44 WeakPolarHBondContact O-CB 3.39Å; R41-D44 PolarHBondContact O-N 3.41Å; R41-D44 VanDerWaalsContact O-N 3.14Å
42P59.7Low59.7Low109 Ų109122.9 Ų122.971%0.70861%0.608SS**THydrogen-bonded Turntrans-58.6-34.2178.8-24.234.7000113.6D44 A45P42-D44 PolarHBondContact O-N 3.29Å; P42-A45 VanDerWaalsContact O-CB 3.32Å; P42-A45 WeakPolarHBondContact O-CB 3.48Å; P42-A45 PolarHBondContact O-N 3.42Å
43E57.9Low59.2Low140 Ų140118 Ų11865%0.65460%0.604SS**Hα-helixtrans-59.2-26.9177.3-63.7168.9175.700112.8R41 A45 E46R41-E43 PolarHBondContact O-N 3.14Å; E43-A45 PolarHBondContact O-N 2.94Å; E43-E46 PolarHBondContact O-N 3.21Å
44D58.8Low58.3Low46 Ų46118.4 Ų118.425%0.24661%0.613CS.*Hα-helixtrans-77.9-5179.4-46.4-44.5000113.5R34 R41 P42R34-D44 VanDerWaalsContact CZ-CB 3.46Å; R34-D44 IonicContact CZ-OD2 3.49Å; R34-D44 IonicContact NE-OD2 3.05Å; R34-D44 PolarHBondContact NE-OD2 3.3Å; R34-D44 PolarHBondContact NH2-O 3.12Å; R34-D44 IonicContact NH2-OD2 3.75Å; R41-D44 PolarHBondContact N-OD2 3.09Å; R41-D44 WeakPolarHBondContact O-CB 3.39Å; R41-D44 PolarHBondContact O-N 3.41Å; R41-D44 VanDerWaalsContact O-N 3.14Å; P42-D44 PolarHBondContact O-N 3.29Å
45A59.5Low57.8Low46 Ų46126.3 Ų126.338%0.3864%0.643SS.*Hα-helixtrans-80.7-37.7172.800000110.9P42 E43 A48P42-A45 VanDerWaalsContact O-CB 3.32Å; P42-A45 WeakPolarHBondContact O-CB 3.48Å; P42-A45 PolarHBondContact O-N 3.42Å; E43-A45 PolarHBondContact O-N 2.94Å; A45-A48 PolarHBondContact O-N 2.86Å
46E55.7Low56.9Low127 Ų127129.9 Ų129.959%0.59363%0.63SS**Hα-helixtrans-68.5-36.7-179.3-53.6-70.8154.100111.6E43 A48 E49E43-E46 PolarHBondContact O-N 3.21Å; E46-A48 VanDerWaalsContact C-N 3.26Å; E46-A48 PolarHBondContact O-N 2.76Å; E46-E49 PolarHBondContact O-N 3.07Å
47E51Low55.8Low116 Ų116130.1 Ų130.154%0.54264%0.638SS.*Hα-helixtrans-69.1-24.7179.1-161.6-178.3167.700112.7R51E47-R51 IonicContact OE1-NH2 2.69Å; E47-R51 PolarHBondContact OE1-NH2 3.1Å
48A54.6Low55.2Low75 Ų75137.7 Ų137.762%0.6266%0.663SS**Hα-helixtrans-75.8-29.4177.100000112.5A45 E46A45-A48 PolarHBondContact O-N 2.86Å; E46-A48 VanDerWaalsContact C-N 3.26Å; E46-A48 PolarHBondContact O-N 2.76Å
49E53.9Low54.5Low152 Ų152134.8 Ų134.871%0.7167%0.67SS**Hα-helixtrans-77.1-35.5-179.5-68.3-155.8158.900112.5E46 R51 G52E46-E49 PolarHBondContact O-N 3.07Å; E49-R51 VanDerWaalsContact C-N 3.34Å; E49-R51 PolarHBondContact O-N 2.69Å; E49-G52 PolarHBondContact O-N 2.9Å
50H49.6Very low53.5Low169 Ų169134.4 Ų134.478%0.78267%0.674SS**Hα-helixtrans-73.2-16.4-176.9-84.9-40.8000115.9
51R47.2Very low53.5Low205 Ų205134.8 Ų134.877%0.77469%0.69SS**THydrogen-bonded Turntrans-93.7-3.4176-61.7-164.2-160.2-162.38114.3E47 E49E47-R51 IonicContact OE1-NH2 2.69Å; E47-R51 PolarHBondContact OE1-NH2 3.1Å; E49-R51 VanDerWaalsContact C-N 3.34Å; E49-R51 PolarHBondContact O-N 2.69Å
52G46.4Very low53.1Low67 Ų67131.7 Ų131.769%0.69169%0.689SS**SBendtrans-97.8-8-174.600000116E49E49-G52 PolarHBondContact O-N 2.9Å
53A51.5Low53.2Low88 Ų88131.2 Ų131.273%0.72769%0.686SS**SBendtrans-92.4-15.1-162.600000116.3
54E47.9Very low53.3Low181 Ų181132.7 Ų132.785%0.84669%0.693SS**SBendtrans-120.189.6-179.1-79-162.3173.400112.3
55R55Low53.6Low244 Ų244133 Ų13392%0.92171%0.707SS**  trans152.478.6148.4-83.5166.4-163.4-85.1-0.9109.7
56R48.7Very low54Low197 Ų197137 Ų13774%0.74373%0.729SS**  trans-127.3108.7165-169.2178.4175.6891.6109.3
57P46.6Very low54.6Low112 Ų112138.7 Ų138.773%0.72773%0.734SS**  trans-72.1137.6177.725.3-29.3000111.8S59P57-S59 VanDerWaalsContact C-N 3.31Å; P57-S59 PolarHBondContact O-N 3.43Å
58E51.8Low55.4Low196 Ų196139.2 Ų139.292%0.91675%0.747SS**SBendtrans-7369.9178.1-66.5-169.7179.300112.2
59S55.3Low55.9Low119 Ų119146.6 Ų146.683%0.83276%0.759SS**  trans-161.842.9171-76.30000112.7P57P57-S59 VanDerWaalsContact C-N 3.31Å; P57-S59 PolarHBondContact O-N 3.43Å
60F42.3Very low56.5Low150 Ų150144.7 Ų144.766%0.65876%0.763SS**  trans-135.488.2169.1-159.4-99.1000109.8T62F60-T62 PolarHBondContact O-N 2.98Å
61T58.8Low57.3Low133 Ų133148.9 Ų148.982%0.81677%0.772SS**  trans-60.1103.5163.5-175.10000107.4P63T61-P63 WeakPolarHBondContact O-CD 3.39Å
62T63.6Low58.2Low94 Ų94143.4 Ų143.458%0.57776%0.764SS**  trans-68117.6171.7-27.10000105.3F60 E64F60-T62 PolarHBondContact O-N 2.98Å; T62-E64 PolarHBondContact O-N 2.96Å
63P60.4Low59.6Low99 Ų99144.8 Ų144.864%0.64376%0.763SS**  trans-55.5136170.924.1-31.6000107.2T61 G65T61-P63 WeakPolarHBondContact O-CD 3.39Å; P63-G65 PolarHBondContact O-N 3.01Å
64E61.2Low61.4Low171 Ų171144.8 Ų144.880%0.79975%0.751SS**  trans-45108174.1-96.3-134.415000108T62T62-E64 PolarHBondContact O-N 2.96Å
65G64.8Low63.3Low53 Ų53145.5 Ų145.555%0.54675%0.746SS.*  trans-59.4146.4177.500000108.3P63 K67P63-G65 PolarHBondContact O-N 3.01Å; G65-K67 PolarHBondContact O-N 2.73Å
66P67.3Low64.8Low130 Ų130136.7 Ų136.784%0.84473%0.725SS**  trans-51.5115.5179.818.2-29.4000109.2
67K69.1Low66.7Low162 Ų162130.4 Ų130.470%0.70471%0.711SS**  trans-40130.8175.3-106.7163.3-179.8145.40108.4G65 R69G65-K67 PolarHBondContact O-N 2.73Å; K67-R69 PolarHBondContact O-N 2.65Å
68P67.6Low68.7Low126 Ų126127.2 Ų127.282%0.81869%0.694SS**  trans-56106.8177.221.4-30.3000107.6S70P68-S70 PolarHBondContact O-N 3.05Å
69R64.4Low70.5Confident230 Ų230121.5 Ų121.587%0.86867%0.673SS**  trans-53126.9168.8-74.9-179.3166.9-113.1-0.4105.6K67 R71K67-R69 PolarHBondContact O-N 2.65Å; R69-R71 WeakPolarHBondContact O-CA 3.35Å; R69-R71 PolarHBondContact O-N 3.42Å
70S66.3Low72.2Confident113 Ų113122.3 Ų122.379%0.7966%0.663SS**  trans-49104.3176.9570000108.3P68 C72P68-S70 PolarHBondContact O-N 3.05Å; S70-C72 PolarHBondContact O-N 3.33Å; S70-C72 VanDerWaalsContact O-N 3.14Å
71R67.9Low74.5Confident257 Ų257120.7 Ų120.797%0.9766%0.658SS**SBendtrans-81.44.3-159.2-157.4172.5-179.81530113.3R69R69-R71 WeakPolarHBondContact O-CA 3.35Å; R69-R71 PolarHBondContact O-N 3.42Å
72C64.9Low76Confident89 Ų89118.9 Ų118.960%0.60164%0.643SS**  trans-129.7107.2172.8-158.40000107.2S70 D74S70-C72 PolarHBondContact O-N 3.33Å; S70-C72 VanDerWaalsContact O-N 3.14Å; C72-D74 PolarHBondContact O-N 3.4Å
73S75.6Confident77.4Confident96 Ų96119.4 Ų119.467%0.67164%0.639SS**  trans-56.6131.4155.4-74.20000106.8W75S73-W75 PolarHBondContact O-N 2.83Å
74D89.1Confident78.9Confident89 Ų89116.7 Ų116.748%0.47662%0.618SS.*  trans-63.1102.7173.4174.829.8000108.9C72 A76 S77 A78C72-D74 PolarHBondContact O-N 3.4Å; D74-A76 PolarHBondContact O-N 3.23Å; D74-A76 WeakPolarHBondContact OD1-CB 3.26Å; D74-A76 PolarHBondContact OD1-N 3.48Å; D74-A76 VanDerWaalsContact OD1-N 3.13Å; D74-S77 PolarHBondContact O-N 3.09Å; D74-S77 WeakPolarHBondContact OD2-CB 3.38Å; D74-S77 PolarHBondContact OD2-N 3.35Å; D74-S77 PolarHBondContact OD2-OG 2.97Å; D74-A78 PolarHBondContact O-N 2.92Å; D74-A78 VanDerWaalsContact O-N 3.07Å
75W89.1Confident80.5Confident196 Ų196113.1 Ų113.174%0.74260%0.597SS**Hα-helixtrans-60.2-28179.1-70.699.2000111.5S73 A78 V79S73-W75 PolarHBondContact O-N 2.83Å; W75-A78 PolarHBondContact O-N 2.92Å; W75-V79 VanDerWaalsContact O-CG2 3.26Å; W75-V79 WeakPolarHBondContact O-CG2 3.34Å; W75-V79 PolarHBondContact O-N 3.43Å
76A86.9Confident81.9Confident58 Ų58114.4 Ų114.448%0.47960%0.595SS.*Hα-helixtrans-65-53.8176.800000110.9D74 A78 V79 E80D74-A76 PolarHBondContact O-N 3.23Å; D74-A76 WeakPolarHBondContact OD1-CB 3.26Å; D74-A76 PolarHBondContact OD1-N 3.48Å; D74-A76 VanDerWaalsContact OD1-N 3.13Å; A76-A78 VanDerWaalsContact C-N 3.29Å; A76-A78 PolarHBondContact O-N 3.29Å; A76-V79 PolarHBondContact O-N 3.43Å; A76-E80 PolarHBondContact O-N 3.14Å
77S87.2Confident83.1Confident65 Ų65115.4 Ų115.446%0.45558%0.582SS.*Hα-helixtrans-58.3-39175.4-67.30000113D74 E80 E81D74-S77 PolarHBondContact O-N 3.09Å; D74-S77 WeakPolarHBondContact OD2-CB 3.38Å; D74-S77 PolarHBondContact OD2-N 3.35Å; D74-S77 PolarHBondContact OD2-OG 2.97Å; S77-E80 PolarHBondContact O-N 3.39Å; S77-E81 WeakPolarHBondContact O-CB 3.39Å; S77-E81 PolarHBondContact O-N 3.29Å
78A88.3Confident84.3Confident45 Ų45107.8 Ų107.837%0.37255%0.549SS..Hα-helixtrans-65.3-41.8179.700000112.3D74 W75 A76 E81 D82D74-A78 PolarHBondContact O-N 2.92Å; D74-A78 VanDerWaalsContact O-N 3.07Å; W75-A78 PolarHBondContact O-N 2.92Å; A76-A78 VanDerWaalsContact C-N 3.29Å; A76-A78 PolarHBondContact O-N 3.29Å; A78-E81 PolarHBondContact O-N 3.21Å; A78-D82 PolarHBondContact O-N 3.35Å; A78-D82 VanDerWaalsContact O-N 3.07Å
79V91.3Very high85.5Confident76 Ų76104.5 Ų104.546%0.46152%0.524SS..Hα-helixtrans-66.7-44.7176170.90000110.8W75 A76 E81 D82 E83W75-V79 VanDerWaalsContact O-CG2 3.26Å; W75-V79 WeakPolarHBondContact O-CG2 3.34Å; W75-V79 PolarHBondContact O-N 3.43Å; A76-V79 PolarHBondContact O-N 3.43Å; V79-E81 VanDerWaalsContact C-N 3.3Å; V79-E81 PolarHBondContact O-N 3.13Å; V79-D82 PolarHBondContact O-N 3.47Å; V79-E83 HydrophobicContact CG1-CG 4.38Å; V79-E83 WeakPolarHBondContact O-CG 3.49Å; V79-E83 PolarHBondContact O-N 3.43Å
80E89.3Confident86.9Confident136 Ų136101.5 Ų101.564%0.63652%0.518SS*.Hα-helixtrans-60.2-40177-74.1-170.917100112.6A76 S77 M84A76-E80 PolarHBondContact O-N 3.14Å; S77-E80 PolarHBondContact O-N 3.39Å; E80-M84 VanDerWaalsContact O-CB 3.31Å; E80-M84 WeakPolarHBondContact O-CB 3.48Å; E80-M84 PolarHBondContact O-N 3.24Å
81E91.1Very high88.2Confident116 Ų11699.9 Ų99.954%0.54250%0.498SS..Hα-helixtrans-65-43.5176-174.9169.4-160.700111.6S77 A78 V79 M84 R85 M143S77-E81 WeakPolarHBondContact O-CB 3.39Å; S77-E81 PolarHBondContact O-N 3.29Å; A78-E81 PolarHBondContact O-N 3.21Å; V79-E81 VanDerWaalsContact C-N 3.3Å; V79-E81 PolarHBondContact O-N 3.13Å; E81-M84 PolarHBondContact O-N 3.05Å; E81-R85 WeakPolarHBondContact O-CB 3.36Å; E81-R85 PolarHBondContact O-N 3.12Å; E81-M143 HydrophobicContact CG-CE 3.88Å; E81-M143 WeakPolarHBondContact O-CE 3.35Å
82D91.6Very high89.3Confident96 Ų9689 Ų8951%0.51346%0.458SS..Hα-helixtrans-68.4-40.2179.4-163.757.5000112.5A78 V79 M84 R85 T86A78-D82 PolarHBondContact O-N 3.35Å; A78-D82 VanDerWaalsContact O-N 3.07Å; V79-D82 PolarHBondContact O-N 3.47Å; D82-M84 VanDerWaalsContact C-N 3.32Å; D82-M84 PolarHBondContact O-N 3.17Å; D82-R85 WeakPolarHBondContact O-CB 3.45Å; D82-R85 PolarHBondContact O-N 3.12Å; D82-R85 VanDerWaalsContact O-N 3.15Å; D82-T86 WeakPolarHBondContact O-CG2 3.12Å; D82-T86 PolarHBondContact O-N 2.69Å; D82-T86 PolarHBondContact O-OG1 2.95Å
83E93Very high90.5Very high105 Ų10587.6 Ų87.649%0.49145%0.453SS..Hα-helixtrans-61.7-40.4171.6-74.6-172.4-170.600112.1V79 R85 T86 R87V79-E83 HydrophobicContact CG1-CG 4.38Å; V79-E83 WeakPolarHBondContact O-CG 3.49Å; V79-E83 PolarHBondContact O-N 3.43Å; E83-R85 VanDerWaalsContact C-N 3.31Å; E83-T86 WeakPolarHBondContact CA-OG1 3.34Å; E83-T86 PolarHBondContact O-OG1 3.27Å; E83-R87 VanDerWaalsContact O-CB 3.3Å; E83-R87 WeakPolarHBondContact O-CB 3.39Å; E83-R87 PolarHBondContact O-N 3.08Å
84M91.8Very high91.3Very high41 Ų4186.7 Ų86.720%0.20245%0.446CS..Hα-helixtrans-64.1-41.2174.4-176.2-174.9-46.100110.6E80 E81 D82 R87 V88 M143 Q146 N150E80-M84 VanDerWaalsContact O-CB 3.31Å; E80-M84 WeakPolarHBondContact O-CB 3.48Å; E80-M84 PolarHBondContact O-N 3.24Å; E81-M84 PolarHBondContact O-N 3.05Å; D82-M84 VanDerWaalsContact C-N 3.32Å; D82-M84 PolarHBondContact O-N 3.17Å; M84-R87 PolarHBondContact O-N 3.4Å; M84-V88 HydrophobicContact CG-CG2 4.34Å; M84-V88 WeakPolarHBondContact O-CB 3.5Å; M84-V88 VanDerWaalsContact O-CG2 3.23Å; M84-V88 WeakPolarHBondContact O-CG2 3.48Å; M84-V88 PolarHBondContact O-N 3.2Å; M84-M143 HydrophobicContact CB-CE 3.87Å; M84-M143 HydrophobicContact CB-SD 4.31Å; M84-M143 HydrophobicContact CG-CE 3.8Å; M84-M143 HydrophobicContact CG-SD 3.8Å; M84-M143 HydrophobicContact SD-CE 3.87Å; M84-M143 HydrophobicContact SD-SD 4.18Å; M84-Q146 HydrophobicContact CG-CG 3.95Å; M84-Q146 HydrophobicContact SD-CB 4.09Å; M84-Q146 HydrophobicContact SD-CG 3.83Å; M84-N150 WeakPolarHBondContact CE-ND2 3.13Å
85R93.6Very high91.3Very high96 Ų9684.3 Ų84.336%0.36243%0.434SS..Hα-helixtrans-61.7-52.2178.9-165.1179-168.6109.86.1111.9E81 D82 E83 R87 V88 N89 E139 M143E81-R85 WeakPolarHBondContact O-CB 3.36Å; E81-R85 PolarHBondContact O-N 3.12Å; D82-R85 WeakPolarHBondContact O-CB 3.45Å; D82-R85 PolarHBondContact O-N 3.12Å; D82-R85 VanDerWaalsContact O-N 3.15Å; E83-R85 VanDerWaalsContact C-N 3.31Å; R85-R87 VanDerWaalsContact C-N 3.31Å; R85-R87 PolarHBondContact O-N 3.44Å; R85-V88 PolarHBondContact O-N 3.01Å; R85-N89 WeakPolarHBondContact O-CB 2.95Å; R85-N89 VanDerWaalsContact O-CG 3.23Å; R85-N89 PolarHBondContact O-N 2.86Å; R85-N89 PolarHBondContact O-ND2 3.44Å; R85-E139 WeakPolarHBondContact CD-OE1 3.47Å; R85-E139 HydrophobicContact CG-CG 4.46Å; R85-E139 WeakPolarHBondContact CG-OE1 3.47Å; R85-E139 VanDerWaalsContact CZ-CD 3.42Å; R85-E139 IonicContact CZ-OE1 3.57Å; R85-E139 VanDerWaalsContact CZ-OE1 3.28Å; R85-E139 IonicContact CZ-OE2 2.65Å; R85-E139 VanDerWaalsContact NE-CD 3.26Å; R85-E139 IonicContact NE-OE1 2.96Å; R85-E139 PolarHBondContact NE-OE1 3.47Å; R85-E139 IonicContact NE-OE2 3.57Å; R85-E139 IonicContact NH2-OE1 3.35Å; R85-E139 PolarHBondContact NH2-OE1 3.49Å; R85-E139 IonicContact NH2-OE2 3.28Å; R85-E139 PolarHBondContact NH2-OE2 3.05Å; R85-M143 WeakPolarHBondContact CA-SD 3.37Å; R85-M143 HydrophobicContact CB-CE 3.97Å; R85-M143 HydrophobicContact CB-SD 4.04Å; R85-M143 HydrophobicContact CG-SD 4.41Å
86T93.8Very high91.3Very high80 Ų8078.1 Ų78.149%0.49141%0.414SS..Hα-helixtrans-59.8-40.917755.20000111.9D82 E83 N89 K90D82-T86 WeakPolarHBondContact O-CG2 3.12Å; D82-T86 PolarHBondContact O-N 2.69Å; D82-T86 PolarHBondContact O-OG1 2.95Å; E83-T86 WeakPolarHBondContact CA-OG1 3.34Å; E83-T86 PolarHBondContact O-OG1 3.27Å; T86-N89 PolarHBondContact O-N 3.47Å; T86-K90 WeakPolarHBondContact O-CB 3.19Å; T86-K90 PolarHBondContact O-N 3.29Å
87R94.3Very high91.4Very high152 Ų15282 Ų8257%0.57442%0.417SS*.Hα-helixtrans-64.4-47.7176.4-169.3-178-56.2174.95.2112.2E83 M84 R85 N89 K90 E91E83-R87 VanDerWaalsContact O-CB 3.3Å; E83-R87 WeakPolarHBondContact O-CB 3.39Å; E83-R87 PolarHBondContact O-N 3.08Å; M84-R87 PolarHBondContact O-N 3.4Å; R85-R87 VanDerWaalsContact C-N 3.31Å; R85-R87 PolarHBondContact O-N 3.44Å; R87-N89 VanDerWaalsContact C-N 3.33Å; R87-N89 PolarHBondContact O-N 3.31Å; R87-K90 PolarHBondContact O-N 2.88Å; R87-E91 WeakPolarHBondContact O-CG 3.32Å; R87-E91 PolarHBondContact O-N 3.14Å
88V93.3Very high91.5Very high1 Ų185.4 Ų85.41%0.00642%0.424CS..Hα-helixtrans-59.5-45.1177.2166.80000110.6M84 R85 E91 M92 L142 M143 Q146M84-V88 HydrophobicContact CG-CG2 4.34Å; M84-V88 WeakPolarHBondContact O-CB 3.5Å; M84-V88 VanDerWaalsContact O-CG2 3.23Å; M84-V88 WeakPolarHBondContact O-CG2 3.48Å; M84-V88 PolarHBondContact O-N 3.2Å; R85-V88 PolarHBondContact O-N 3.01Å; V88-E91 PolarHBondContact O-N 2.75Å; V88-M92 VanDerWaalsContact O-CB 3.32Å; V88-M92 WeakPolarHBondContact O-CB 3.41Å; V88-M92 PolarHBondContact O-N 3.32Å; V88-L142 HydrophobicContact CG1-CB 3.48Å; V88-L142 VanDerWaalsContact CG1-CB 3.48Å; V88-L142 HydrophobicContact CG1-CD1 3.98Å; V88-L142 HydrophobicContact CG1-CG 4.35Å; V88-M143 HydrophobicContact CB-SD 4.23Å; V88-M143 HydrophobicContact CG2-SD 3.95Å; V88-Q146 HydrophobicContact CG2-CB 4.08Å; V88-Q146 HydrophobicContact CG2-CG 4.12Å
89N92.9Very high91.4Very high57 Ų5783.9 Ų83.931%0.30541%0.412SS..Hα-helixtrans-65-41.9179.4-71.7-15.1000112.4R85 T86 R87 M92 A93 E139R85-N89 WeakPolarHBondContact O-CB 2.95Å; R85-N89 VanDerWaalsContact O-CG 3.23Å; R85-N89 PolarHBondContact O-N 2.86Å; R85-N89 PolarHBondContact O-ND2 3.44Å; T86-N89 PolarHBondContact O-N 3.47Å; R87-N89 VanDerWaalsContact C-N 3.33Å; R87-N89 PolarHBondContact O-N 3.31Å; N89-M92 PolarHBondContact O-N 3.44Å; N89-A93 WeakPolarHBondContact O-CB 3.5Å; N89-A93 PolarHBondContact O-N 3.06Å; N89-E139 PolarHBondContact ND2-OE1 3.03Å; N89-E139 PolarHBondContact OD1-OE1 3.27Å
90K94.1Very high91.2Very high168 Ų16885 Ų8573%0.7342%0.415SS*.Hα-helixtrans-62.3-44.4175.4-175.3177-179176.50111.7T86 R87 A93 S94T86-K90 WeakPolarHBondContact O-CB 3.19Å; T86-K90 PolarHBondContact O-N 3.29Å; R87-K90 PolarHBondContact O-N 2.88Å; K90-A93 PolarHBondContact O-N 3.07Å; K90-S94 WeakPolarHBondContact O-CB 3.46Å; K90-S94 PolarHBondContact O-N 3.23Å
91E92.9Very high91.1Very high79 Ų7984.6 Ų84.637%0.36941%0.407SS..Hα-helixtrans-65.1-41176.2-74.9179.3-171.300111.9R87 V88 S94 N95 K181 F182R87-E91 WeakPolarHBondContact O-CG 3.32Å; R87-E91 PolarHBondContact O-N 3.14Å; V88-E91 PolarHBondContact O-N 2.75Å; E91-S94 WeakPolarHBondContact O-CB 3.38Å; E91-S94 PolarHBondContact O-N 3.45Å; E91-N95 WeakPolarHBondContact O-CB 3.45Å; E91-N95 PolarHBondContact O-N 2.9Å; E91-K181 WeakPolarHBondContact OE2-CE 3.42Å; E91-K181 IonicContact OE2-NZ 3.36Å; E91-K181 PolarHBondContact OE2-NZ 2.99Å; E91-F182 HydrophobicContact CB-CE1 4.4Å; E91-F182 HydrophobicContact CB-CE2 4Å; E91-F182 HydrophobicContact CB-CZ 3.44Å; E91-F182 VanDerWaalsContact CB-CZ 3.44Å; E91-F182 WeakPolarHBondContact OE2-CZ 3.39Å
92M91.4Very high90.9Very high29 Ų2985.5 Ų85.514%0.14341%0.407CS..Hα-helixtrans-60.3-49.9175.5-177179.9148.500111.2V88 N89 S94 N95 I96 T137 L142 F182V88-M92 VanDerWaalsContact O-CB 3.32Å; V88-M92 WeakPolarHBondContact O-CB 3.41Å; V88-M92 PolarHBondContact O-N 3.32Å; N89-M92 PolarHBondContact O-N 3.44Å; M92-S94 VanDerWaalsContact C-N 3.32Å; M92-S94 PolarHBondContact O-N 3.23Å; M92-N95 WeakPolarHBondContact O-CB 3.12Å; M92-N95 PolarHBondContact O-N 3.43Å; M92-N95 VanDerWaalsContact O-N 3.16Å; M92-I96 HydrophobicContact CE-CD1 3.83Å; M92-I96 HydrophobicContact CG-CD1 4.07Å; M92-I96 WeakPolarHBondContact O-CG1 3.37Å; M92-I96 PolarHBondContact O-N 2.97Å; M92-T137 HydrophobicContact CE-CG2 3.22Å; M92-T137 VanDerWaalsContact CE-O 3.26Å; M92-T137 WeakPolarHBondContact CE-O 3.31Å; M92-L142 HydrophobicContact CB-CD1 4.34Å; M92-L142 HydrophobicContact CG-CD1 4.18Å; M92-L142 HydrophobicContact SD-CD1 3.59Å; M92-L142 VanDerWaalsContact SD-CD1 3.59Å; M92-F182 HydrophobicContact CB-CD1 4.39Å; M92-F182 HydrophobicContact CB-CE1 3.8Å; M92-F182 HydrophobicContact CG-CE1 4.46Å
93A90.3Very high90.5Very high59 Ų5983.4 Ų83.449%0.48839%0.393SS..Hα-helixtrans-60.4-42.1177.300000111.7N89 K90 N95 I96 Y97N89-A93 WeakPolarHBondContact O-CB 3.5Å; N89-A93 PolarHBondContact O-N 3.06Å; K90-A93 PolarHBondContact O-N 3.07Å; A93-N95 VanDerWaalsContact C-N 3.35Å; A93-N95 PolarHBondContact O-N 3.38Å; A93-I96 PolarHBondContact O-N 3.17Å; A93-Y97 WeakPolarHBondContact O-CB 3.17Å; A93-Y97 PolarHBondContact O-N 2.92Å
94S92.1Very high90Very high76 Ų7687 Ų8753%0.53140%0.402SS..Hα-helixtrans-60.6-43.1174.4-177.80000112K90 E91 M92 Y97 F98K90-S94 WeakPolarHBondContact O-CB 3.46Å; K90-S94 PolarHBondContact O-N 3.23Å; E91-S94 WeakPolarHBondContact O-CB 3.38Å; E91-S94 PolarHBondContact O-N 3.45Å; M92-S94 VanDerWaalsContact C-N 3.32Å; M92-S94 PolarHBondContact O-N 3.23Å; S94-Y97 PolarHBondContact O-N 3.4Å; S94-F98 WeakPolarHBondContact O-CB 3.49Å; S94-F98 PolarHBondContact O-N 3.09Å
95N89.3Confident89.7Confident40 Ų4091.4 Ų91.421%0.21442%0.42CS..Hα-helixtrans-65.5-44.7178.6-165.4-6.7000111.6E91 M92 A93 Y97 F98 A99 F182E91-N95 WeakPolarHBondContact O-CB 3.45Å; E91-N95 PolarHBondContact O-N 2.9Å; M92-N95 WeakPolarHBondContact O-CB 3.12Å; M92-N95 PolarHBondContact O-N 3.43Å; M92-N95 VanDerWaalsContact O-N 3.16Å; A93-N95 VanDerWaalsContact C-N 3.35Å; A93-N95 PolarHBondContact O-N 3.38Å; N95-Y97 VanDerWaalsContact C-N 3.34Å; N95-Y97 PolarHBondContact O-N 2.92Å; N95-F98 PolarHBondContact O-N 3.27Å; N95-A99 WeakPolarHBondContact O-CB 3.27Å; N95-A99 PolarHBondContact O-N 2.87Å; N95-F182 WeakPolarHBondContact ND2-CB 3.34Å
96I88.9Confident89.1Confident66 Ų6690.4 Ų90.434%0.33842%0.421SS..Hα-helixtrans-58.5-48173.6-68.4167.4000110.3M92 A93 F98 A99 L100M92-I96 HydrophobicContact CE-CD1 3.83Å; M92-I96 HydrophobicContact CG-CD1 4.07Å; M92-I96 WeakPolarHBondContact O-CG1 3.37Å; M92-I96 PolarHBondContact O-N 2.97Å; A93-I96 PolarHBondContact O-N 3.17Å; I96-F98 PolarHBondContact O-N 3.38Å; I96-A99 PolarHBondContact O-N 3.39Å; I96-L100 HydrophobicContact CG2-CD1 3.91Å; I96-L100 HydrophobicContact CG2-CG 4.39Å; I96-L100 WeakPolarHBondContact O-CB 3.47Å; I96-L100 VanDerWaalsContact O-CG 3.29Å; I96-L100 WeakPolarHBondContact O-CG 3.47Å; I96-L100 PolarHBondContact O-N 2.97Å
97Y89.2Confident88.2Confident139 Ų13992.1 Ų92.155%0.54543%0.427SS..Hα-helixtrans-59.8-45.9178175.7-95.6000112A93 S94 N95 L100 R101A93-Y97 WeakPolarHBondContact O-CB 3.17Å; A93-Y97 PolarHBondContact O-N 2.92Å; S94-Y97 PolarHBondContact O-N 3.4Å; N95-Y97 VanDerWaalsContact C-N 3.34Å; N95-Y97 PolarHBondContact O-N 2.92Å; Y97-L100 PolarHBondContact O-N 3.35Å; Y97-R101 VanDerWaalsContact O-CB 3.31Å; Y97-R101 WeakPolarHBondContact O-CB 3.38Å; Y97-R101 PolarHBondContact O-N 3.08Å; Y97-R101 PolarHBondContact OH-NH1 3.15Å
98F89.2Confident87.2Confident137 Ų13789.7 Ų89.760%0.60142%0.424SS*.Hα-helixtrans-63.3-43178.3-173.5-94.2000111.4S94 N95 I96 R101 Y102S94-F98 WeakPolarHBondContact O-CB 3.49Å; S94-F98 PolarHBondContact O-N 3.09Å; N95-F98 PolarHBondContact O-N 3.27Å; I96-F98 PolarHBondContact O-N 3.38Å; F98-R101 PolarHBondContact O-N 2.97Å; F98-Y102 VanDerWaalsContact O-CB 3.29Å; F98-Y102 WeakPolarHBondContact O-CB 3.44Å; F98-Y102 PolarHBondContact O-N 3.17Å
99A86.4Confident86.2Confident13 Ų1393.9 Ų93.911%0.10745%0.447CS..Hα-helixtrans-62.2-43.3176.100000111.9N95 I96 Y102 K103 F135N95-A99 WeakPolarHBondContact O-CB 3.27Å; N95-A99 PolarHBondContact O-N 2.87Å; I96-A99 PolarHBondContact O-N 3.39Å; A99-Y102 PolarHBondContact O-N 3.34Å; A99-K103 WeakPolarHBondContact O-CB 3.46Å; A99-K103 VanDerWaalsContact O-CG 3.26Å; A99-K103 WeakPolarHBondContact O-CG 3.43Å; A99-K103 PolarHBondContact O-N 3.44Å; A99-F135 HydrophobicContact CB-CE2 3.91Å; A99-F135 HydrophobicContact CB-CZ 4.38Å
100L87.3Confident84.7Confident99 Ų9996.4 Ų96.452%0.51846%0.46SS..Hα-helixtrans-64-43.5175.1-71.7172.7000111.7I96 Y97 K103 R104I96-L100 HydrophobicContact CG2-CD1 3.91Å; I96-L100 HydrophobicContact CG2-CG 4.39Å; I96-L100 WeakPolarHBondContact O-CB 3.47Å; I96-L100 VanDerWaalsContact O-CG 3.29Å; I96-L100 WeakPolarHBondContact O-CG 3.47Å; I96-L100 PolarHBondContact O-N 2.97Å; Y97-L100 PolarHBondContact O-N 3.35Å; L100-K103 PolarHBondContact O-N 3.08Å; L100-R104 WeakPolarHBondContact O-CB 3.22Å; L100-R104 PolarHBondContact O-N 3.3Å
101R87.8Confident83Confident127 Ų12797.3 Ų97.348%0.47946%0.464SS..Hα-helixtrans-63.6-42.7177-174.7179-179.2112.60.3111.7Y97 F98 R104 K105Y97-R101 VanDerWaalsContact O-CB 3.31Å; Y97-R101 WeakPolarHBondContact O-CB 3.38Å; Y97-R101 PolarHBondContact O-N 3.08Å; Y97-R101 PolarHBondContact OH-NH1 3.15Å; F98-R101 PolarHBondContact O-N 2.97Å; R101-R104 PolarHBondContact O-N 3.37Å; R101-K105 PolarHBondContact O-N 3.38Å
102Y85.8Confident81.2Confident135 Ų13596.5 Ų96.553%0.52948%0.478SS..Hα-helixtrans-63.2-47177.5-178.3-102.4000111.3F98 A99 R104 K105 L106F98-Y102 VanDerWaalsContact O-CB 3.29Å; F98-Y102 WeakPolarHBondContact O-CB 3.44Å; F98-Y102 PolarHBondContact O-N 3.17Å; A99-Y102 PolarHBondContact O-N 3.34Å; Y102-R104 PolarHBondContact O-N 3.01Å; Y102-K105 WeakPolarHBondContact O-CB 3.5Å; Y102-K105 PolarHBondContact O-N 3.44Å; Y102-K105 VanDerWaalsContact O-N 3.14Å; Y102-L106 HydrophobicContact CD1-CD1 3.9Å; Y102-L106 HydrophobicContact CD1-CG 4.38Å; Y102-L106 HydrophobicContact CE1-CD1 3.39Å; Y102-L106 HydrophobicContact CE1-CD2 4.5Å; Y102-L106 HydrophobicContact CE1-CG 4.02Å; Y102-L106 PolarHBondContact O-N 2.97Å
103K82.9Confident79.6Confident52 Ų52105 Ų10523%0.22651%0.508CS..Hα-helixtrans-59.9-45.7175.1-74.2168-176.8159.10112.6A99 L100 K105 L106 L107 V131A99-K103 WeakPolarHBondContact O-CB 3.46Å; A99-K103 VanDerWaalsContact O-CG 3.26Å; A99-K103 WeakPolarHBondContact O-CG 3.43Å; A99-K103 PolarHBondContact O-N 3.44Å; L100-K103 PolarHBondContact O-N 3.08Å; K103-K105 VanDerWaalsContact C-N 3.26Å; K103-K105 PolarHBondContact O-N 3.17Å; K103-L106 PolarHBondContact O-N 3.39Å; K103-L106 VanDerWaalsContact O-N 3.12Å; K103-L107 WeakPolarHBondContact O-CG 3.46Å; K103-L107 PolarHBondContact O-N 2.96Å; K103-V131 HydrophobicContact CD-CB 4.28Å; K103-V131 VanDerWaalsContact NZ-CB 3.26Å; K103-V131 PolarHBondContact NZ-O 2.81Å
104R83.2Confident77.5Confident182 Ų182110 Ų11069%0.68752%0.521SS*.Hα-helixtrans-57.6-41.3175.6-177.2172.6-179.5161.41.7111.2L100 R101 Y102 I108L100-R104 WeakPolarHBondContact O-CB 3.22Å; L100-R104 PolarHBondContact O-N 3.3Å; R101-R104 PolarHBondContact O-N 3.37Å; Y102-R104 PolarHBondContact O-N 3.01Å; R104-I108 HydrophobicContact CG-CD1 3.69Å; R104-I108 HydrophobicContact CG-CG1 4.46Å; R104-I108 WeakPolarHBondContact O-CB 3.47Å; R104-I108 VanDerWaalsContact O-CD1 3.27Å; R104-I108 WeakPolarHBondContact O-CD1 3.28Å; R104-I108 WeakPolarHBondContact O-CG1 3.4Å; R104-I108 PolarHBondContact O-N 3.09Å
105K84.4Confident75.9Confident133 Ų133117.5 Ų117.558%0.57854%0.538SS*.Hα-helixtrans-64.8-39.6175.3-78-164.7173.7-161.80113.4R101 Y102 K103 I108 N109R101-K105 PolarHBondContact O-N 3.38Å; Y102-K105 WeakPolarHBondContact O-CB 3.5Å; Y102-K105 PolarHBondContact O-N 3.44Å; Y102-K105 VanDerWaalsContact O-N 3.14Å; K103-K105 VanDerWaalsContact C-N 3.26Å; K103-K105 PolarHBondContact O-N 3.17Å; K105-I108 PolarHBondContact O-N 3.22Å; K105-N109 WeakPolarHBondContact O-CB 3.43Å; K105-N109 PolarHBondContact O-N 2.74Å
106L81.1Confident74.1Confident74 Ų74124.3 Ų124.339%0.38757%0.566SS.*Hα-helixtrans-62.8-51.2176.3-70.8177.5000111.1Y102 K103 I108 N109 D110Y102-L106 HydrophobicContact CD1-CD1 3.9Å; Y102-L106 HydrophobicContact CD1-CG 4.38Å; Y102-L106 HydrophobicContact CE1-CD1 3.39Å; Y102-L106 HydrophobicContact CE1-CD2 4.5Å; Y102-L106 HydrophobicContact CE1-CG 4.02Å; Y102-L106 PolarHBondContact O-N 2.97Å; K103-L106 PolarHBondContact O-N 3.39Å; K103-L106 VanDerWaalsContact O-N 3.12Å; L106-I108 VanDerWaalsContact C-N 3.27Å; L106-I108 PolarHBondContact O-N 3.24Å; L106-N109 WeakPolarHBondContact O-CB 3.49Å; L106-N109 PolarHBondContact O-N 3.27Å; L106-D110 PolarHBondContact O-N 3.49Å
107L76.1Confident71.9Confident116 Ų116126.7 Ų126.761%0.60759%0.588SS**Hα-helixtrans-59.7-36.3178.1-65.7171.4000112.7K103 D110 F111K103-L107 WeakPolarHBondContact O-CG 3.46Å; K103-L107 PolarHBondContact O-N 2.96Å; L107-D110 PolarHBondContact O-N 3.14Å; L107-F111 PolarHBondContact O-N 3.41Å
108I72.6Confident70.2Confident102 Ų102125.3 Ų125.352%0.52360%0.599SS.*Hα-helixtrans-68.7-37.8174.8-70.2163.9000111.7R104 K105 L106 D110 G112R104-I108 HydrophobicContact CG-CD1 3.69Å; R104-I108 HydrophobicContact CG-CG1 4.46Å; R104-I108 WeakPolarHBondContact O-CB 3.47Å; R104-I108 VanDerWaalsContact O-CD1 3.27Å; R104-I108 WeakPolarHBondContact O-CD1 3.28Å; R104-I108 WeakPolarHBondContact O-CG1 3.4Å; R104-I108 PolarHBondContact O-N 3.09Å; K105-I108 PolarHBondContact O-N 3.22Å; L106-I108 VanDerWaalsContact C-N 3.27Å; L106-I108 PolarHBondContact O-N 3.24Å; I108-D110 VanDerWaalsContact C-N 3.31Å; I108-G112 PolarHBondContact O-N 3.15Å
109N72.5Confident68.9Low88 Ų88124.9 Ų124.947%0.47161%0.613SS.*Hα-helixtrans-67.5-33.2177.5178.286.3000111.8K105 L106 G112K105-N109 WeakPolarHBondContact O-CB 3.43Å; K105-N109 PolarHBondContact O-N 2.74Å; L106-N109 WeakPolarHBondContact O-CB 3.49Å; L106-N109 PolarHBondContact O-N 3.27Å; N109-G112 PolarHBondContact O-N 3.31Å
110D62.1Low66.8Low110 Ų110127.9 Ų127.959%0.58865%0.645SS**Hα-helixtrans-73.9-35.4178.1-62.1-29.8000112L106 L107 I108 G112L106-D110 PolarHBondContact O-N 3.49Å; L107-D110 PolarHBondContact O-N 3.14Å; I108-D110 VanDerWaalsContact C-N 3.31Å; D110-G112 VanDerWaalsContact C-N 3.34Å; D110-G112 PolarHBondContact O-N 3.46Å
111F58Low65.5Low187 Ų187129.3 Ų129.382%0.8266%0.663SS**Hα-helixtrans-78.4-10.3173.8-99.8-90.4000114.9L107L107-F111 PolarHBondContact O-N 3.41Å
112G54.5Low63.8Low63 Ų63127.9 Ų127.965%0.64967%0.673SS**THydrogen-bonded Turntrans-88.3-7.1-173.300000116I108 N109 D110I108-G112 PolarHBondContact O-N 3.15Å; N109-G112 PolarHBondContact O-N 3.31Å; D110-G112 VanDerWaalsContact C-N 3.34Å; D110-G112 PolarHBondContact O-N 3.46Å
113R58.2Low62.2Low208 Ų208129 Ų12979%0.78569%0.688SS**SBendtrans-96.6-6.1-175.1-74.2-174-171.5-118.1-0.2115.6
114E45.5Very low60.4Low162 Ų162130.3 Ų130.376%0.75770%0.703SS**  trans-116.782.2179.4-63.7-164.7157.500111.4
115R59Low58.9Low234 Ų234131.4 Ų131.488%0.88371%0.713SS**  trans-66.6135140.7-73.4-173.5-174.1147.72.4105.7
116K50.6Low57Low184 Ų184132.8 Ų132.880%0.872%0.722SS**  trans68.690.9179.332.175.896.3-172.80116.9
117S43Very low55.4Low115 Ų115132.7 Ų132.780%0.80473%0.728SS**  -164.3145.5113.6-75.40000111.6
118S54.4Low54.2Low111 Ų111134.5 Ų134.578%0.77674%0.743SS**  trans-77.9160.8-166.944.60000115.8
119S61Low53.1Low128 Ų128134.5 Ų134.590%0.89575%0.752SS**  trans44.5103.2139.4-161.60000117.8
120G42.7Very low52Low76 Ų76135.3 Ų135.378%0.78476%0.76SS**  trans-16796.216900000111.2
121S59.3Low51.7Low128 Ų128133.1 Ų133.190%0.89575%0.751SS**  trans-55.3131.7164.41760000110.7
122S53Low51.6Low97 Ų97128.5 Ų128.568%0.67874%0.74SS**  trans-163.8110.9150.9-171.50000110.1S124S122-S124 PolarHBondContact O-N 3.1Å
123D51.8Low51.7Low158 Ų158129 Ų12985%0.84574%0.737SS**  trans-70.4103163.7-165.3-74.9000107.7
124S46.2Very low52.5Low80 Ų80124.3 Ų124.356%0.55973%0.728SS**  trans-143.2115.4166.143.50000107.5S122 E126S122-S124 PolarHBondContact O-N 3.1Å; S124-E126 VanDerWaalsContact C-N 3.25Å; S124-E126 PolarHBondContact O-N 2.85Å
125K50.3Low54.4Low205 Ų205119.7 Ų119.789%0.89171%0.705SS**  trans-51.783.6174.8-69.5177177.1162.50111.1S127K125-S127 PolarHBondContact O-N 2.97Å; K125-S127 VanDerWaalsContact O-N 3.13Å
126E44.1Very low55.9Low162 Ų162109.3 Ų109.376%0.75767%0.667SS**  trans-84.191.4177.4-170.6149.397.800109.6S124 V128S124-E126 VanDerWaalsContact C-N 3.25Å; S124-E126 PolarHBondContact O-N 2.85Å; E126-V128 PolarHBondContact O-N 3.47Å
127S49.2Very low57.8Low73 Ų73104.2 Ų104.251%0.5165%0.651SS.*  trans35.660139.263.70000118.3K125 S129K125-S127 PolarHBondContact O-N 2.97Å; K125-S127 VanDerWaalsContact O-N 3.13Å; S127-S129 PolarHBondContact O-N 3.31Å
128V50.1Low60.2Low153 Ų153102.3 Ų102.393%0.92763%0.632SS**THydrogen-bonded Turntrans-81.140.5165.2-174.80000110.9E126E126-V128 PolarHBondContact O-N 3.47Å
129S48.7Very low62Low103 Ų10399.3 Ų99.372%0.7261%0.606SS**THydrogen-bonded Turntrans-140.61.4-171.7-166.70000115.8S127S127-S129 PolarHBondContact O-N 3.31Å
130T50.3Low63.6Low104 Ų10496.5 Ų96.564%0.63859%0.586SS**SBendtrans-95.92.6-169.544.30000116.8
131V55.6Low66.1Low64 Ų6493.7 Ų93.739%0.38855%0.554SS.*SBendtrans-146.277.9178.7-146.50000114.5K103K103-V131 HydrophobicContact CD-CB 4.28Å; K103-V131 VanDerWaalsContact NZ-CB 3.26Å; K103-V131 PolarHBondContact NZ-O 2.81Å
132P55.4Low67.9Low91 Ų9187.6 Ų87.659%0.59151%0.511SS*.SBend-116.53.6126.9-4.624.1000113.4D134 F135P132-D134 PolarHBondContact O-N 3.23Å; P132-F135 PolarHBondContact O-N 2.76Å
133A58.4Low69.9Low72 Ų7283.8 Ų83.860%0.59548%0.483SS*.THydrogen-bonded Turntrans-59.8-23-165.700000115.6F135A133-F135 PolarHBondContact O-N 2.85Å
134D73.7Confident72.1Confident111 Ų11181.1 Ų81.159%0.59446%0.461SS*.THydrogen-bonded Turntrans-85.7-3.3-173.5-64.2-36.5000115.2P132 K184P132-D134 PolarHBondContact O-N 3.23Å; D134-K184 WeakPolarHBondContact O-CG 3.46Å; D134-K184 PolarHBondContact O-N 3.19Å
135F85.5Confident74.5Confident64 Ų6477.6 Ų77.628%0.28144%0.435SS..BIsolated β-bridgetrans-112.1136.1-178.4-65.4-77.5000113.2A99 P132 A133 T137 F182A99-F135 HydrophobicContact CB-CE2 3.91Å; A99-F135 HydrophobicContact CB-CZ 4.38Å; P132-F135 PolarHBondContact O-N 2.76Å; A133-F135 PolarHBondContact O-N 2.85Å; F135-T137 PolarHBondContact O-N 3.5Å; F135-T137 PolarHBondContact O-OG1 2.82Å; F135-F182 CarbonylContact C-O 3.56Å; F135-F182 WeakPolarHBondContact CA-O 3.11Å; F135-F182 HydrophobicContact CD1-CB 4.49Å
136E90.1Very high76.7Confident17 Ų1769 Ų698%0.07940%0.399CS..  trans-68.5116.5170.3-163.171.2-95.900109.4V141 L142 R145 F182 K184E136-V141 HydrophobicContact CG-CB 4.34Å; E136-V141 HydrophobicContact CG-CG1 3.9Å; E136-L142 HydrophobicContact CB-CD2 4.17Å; E136-L142 HydrophobicContact CG-CD2 4.24Å; E136-L142 HydrophobicContact CG-CG 4.46Å; E136-R145 IonicContact OE2-CZ 2.68Å; E136-R145 IonicContact OE2-NH1 3.69Å; E136-R145 IonicContact OE2-NH2 3.44Å; E136-R145 PolarHBondContact OE2-NH2 3.23Å; E136-F182 PolarHBondContact N-O 2.87Å; E136-K184 HydrophobicContact CB-CD 4.17Å; E136-K184 IonicContact OE1-NZ 3.09Å; E136-K184 PolarHBondContact OE1-NZ 3.36Å; E136-K184 IonicContact OE2-NZ 3.53Å
137T90.6Very high79.2Confident76 Ų7666.6 Ų66.647%0.46639%0.386SS..  trans-108.5-15.3-176.2-59.20000110.8M92 F135 E139M92-T137 HydrophobicContact CE-CG2 3.22Å; M92-T137 VanDerWaalsContact CE-O 3.26Å; M92-T137 WeakPolarHBondContact CE-O 3.31Å; F135-T137 PolarHBondContact O-N 3.5Å; F135-T137 PolarHBondContact O-OG1 2.82Å; T137-E139 PolarHBondContact O-N 3.18Å; T137-E139 VanDerWaalsContact O-N 3.15Å
138D93.1Very high81.5Confident75 Ų7565.1 Ų65.140%0.40137%0.371SS..  trans-71.1110.2179.2-176.8-13.9000110.8S140 V141 L142D138-S140 VanDerWaalsContact C-N 3.32Å; D138-S140 PolarHBondContact O-N 2.99Å; D138-S140 WeakPolarHBondContact OD1-CB 3.24Å; D138-S140 PolarHBondContact OD1-N 3.41Å; D138-S140 PolarHBondContact OD1-OG 3.07Å; D138-S140 PolarHBondContact OD2-OG 3.46Å; D138-V141 HydrophobicContact CB-CB 4.06Å; D138-V141 HydrophobicContact CB-CG2 3.96Å; D138-V141 PolarHBondContact O-N 3.34Å; D138-V141 PolarHBondContact OD1-N 3.32Å; D138-V141 VanDerWaalsContact OD2-CG2 3.29Å; D138-V141 WeakPolarHBondContact OD2-CG2 3.41Å; D138-L142 WeakPolarHBondContact O-CG 3.47Å; D138-L142 PolarHBondContact O-N 3.47Å
139E93.8Very high83.8Confident48 Ų4858.1 Ų58.122%0.22433%0.328CS..Hα-helixtrans-56.5-42.1178.6-177.7177.4-156.200112.7R85 N89 T137 V141 L142 M143R85-E139 WeakPolarHBondContact CD-OE1 3.47Å; R85-E139 HydrophobicContact CG-CG 4.46Å; R85-E139 WeakPolarHBondContact CG-OE1 3.47Å; R85-E139 VanDerWaalsContact CZ-CD 3.42Å; R85-E139 IonicContact CZ-OE1 3.57Å; R85-E139 VanDerWaalsContact CZ-OE1 3.28Å; R85-E139 IonicContact CZ-OE2 2.65Å; R85-E139 VanDerWaalsContact NE-CD 3.26Å; R85-E139 IonicContact NE-OE1 2.96Å; R85-E139 PolarHBondContact NE-OE1 3.47Å; R85-E139 IonicContact NE-OE2 3.57Å; R85-E139 IonicContact NH2-OE1 3.35Å; R85-E139 PolarHBondContact NH2-OE1 3.49Å; R85-E139 IonicContact NH2-OE2 3.28Å; R85-E139 PolarHBondContact NH2-OE2 3.05Å; N89-E139 PolarHBondContact ND2-OE1 3.03Å; N89-E139 PolarHBondContact OD1-OE1 3.27Å; T137-E139 PolarHBondContact O-N 3.18Å; T137-E139 VanDerWaalsContact O-N 3.15Å; E139-V141 VanDerWaalsContact C-N 3.3Å; E139-V141 PolarHBondContact O-N 2.92Å; E139-L142 PolarHBondContact O-N 3.33Å; E139-M143 HydrophobicContact CG-CG 4.42Å; E139-M143 WeakPolarHBondContact O-CB 3.01Å; E139-M143 VanDerWaalsContact O-CG 3.27Å; E139-M143 WeakPolarHBondContact O-CG 3.37Å; E139-M143 PolarHBondContact O-N 2.8Å
140S93.9Very high86Confident69 Ų6956 Ų5648%0.48331%0.308SS..Hα-helixtrans-64.2-38.8-178.874.40000111.4D138 R144D138-S140 VanDerWaalsContact C-N 3.32Å; D138-S140 PolarHBondContact O-N 2.99Å; D138-S140 WeakPolarHBondContact OD1-CB 3.24Å; D138-S140 PolarHBondContact OD1-N 3.41Å; D138-S140 PolarHBondContact OD1-OG 3.07Å; D138-S140 PolarHBondContact OD2-OG 3.46Å; S140-R144 PolarHBondContact O-N 3.18Å; S140-R144 VanDerWaalsContact O-N 3.11Å
141V95.4Very high88.2Confident17 Ų1757.5 Ų57.510%0.10330%0.303CS..Hα-helixtrans-67.2-46.9174.8173.70000109.7E136 D138 E139 M143 R144 R145E136-V141 HydrophobicContact CG-CB 4.34Å; E136-V141 HydrophobicContact CG-CG1 3.9Å; D138-V141 HydrophobicContact CB-CB 4.06Å; D138-V141 HydrophobicContact CB-CG2 3.96Å; D138-V141 PolarHBondContact O-N 3.34Å; D138-V141 PolarHBondContact OD1-N 3.32Å; D138-V141 VanDerWaalsContact OD2-CG2 3.29Å; D138-V141 WeakPolarHBondContact OD2-CG2 3.41Å; E139-V141 VanDerWaalsContact C-N 3.3Å; E139-V141 PolarHBondContact O-N 2.92Å; V141-M143 VanDerWaalsContact C-N 3.33Å; V141-M143 PolarHBondContact O-N 3.31Å; V141-R144 PolarHBondContact O-N 2.84Å; V141-R145 HydrophobicContact CG1-CG 4.2Å; V141-R145 WeakPolarHBondContact O-CB 3.48Å; V141-R145 VanDerWaalsContact O-CG 3.24Å; V141-R145 WeakPolarHBondContact O-CG 3.17Å; V141-R145 PolarHBondContact O-N 3.04Å
142L96Very high90.1Very high0 Ų054.5 Ų54.50%029%0.285CS..Hα-helixtrans-61.6-40179.7-68.7174.2000112.5V88 M92 E136 D138 E139 R145 Q146 K181 F182V88-L142 HydrophobicContact CG1-CB 3.48Å; V88-L142 VanDerWaalsContact CG1-CB 3.48Å; V88-L142 HydrophobicContact CG1-CD1 3.98Å; V88-L142 HydrophobicContact CG1-CG 4.35Å; M92-L142 HydrophobicContact CB-CD1 4.34Å; M92-L142 HydrophobicContact CG-CD1 4.18Å; M92-L142 HydrophobicContact SD-CD1 3.59Å; M92-L142 VanDerWaalsContact SD-CD1 3.59Å; E136-L142 HydrophobicContact CB-CD2 4.17Å; E136-L142 HydrophobicContact CG-CD2 4.24Å; E136-L142 HydrophobicContact CG-CG 4.46Å; D138-L142 WeakPolarHBondContact O-CG 3.47Å; D138-L142 PolarHBondContact O-N 3.47Å; E139-L142 PolarHBondContact O-N 3.33Å; L142-R145 PolarHBondContact O-N 2.75Å; L142-Q146 VanDerWaalsContact O-CB 3.29Å; L142-Q146 WeakPolarHBondContact O-CB 3.3Å; L142-Q146 PolarHBondContact O-N 2.89Å; L142-K181 HydrophobicContact CD2-CB 4.31Å; L142-K181 HydrophobicContact CD2-CG 4.3Å; L142-K181 WeakPolarHBondContact CD2-O 3.26Å; L142-F182 HydrophobicContact CD1-CD1 4.03Å; L142-F182 HydrophobicContact CD1-CE1 3.93Å; L142-F182 HydrophobicContact CD2-CD1 3.66Å; L142-F182 HydrophobicContact CD2-CE1 4Å; L142-F182 HydrophobicContact CD2-CG 4.42Å
143M96.4Very high92Very high18 Ų1853.3 Ų53.39%0.08927%0.271CS..Hα-helixtrans-61.6-49.2174.5-74.6-62.8-74.500111.6E81 M84 R85 V88 E139 V141 R145 Q146 K147E81-M143 HydrophobicContact CG-CE 3.88Å; E81-M143 WeakPolarHBondContact O-CE 3.35Å; M84-M143 HydrophobicContact CB-CE 3.87Å; M84-M143 HydrophobicContact CB-SD 4.31Å; M84-M143 HydrophobicContact CG-CE 3.8Å; M84-M143 HydrophobicContact CG-SD 3.8Å; M84-M143 HydrophobicContact SD-CE 3.87Å; M84-M143 HydrophobicContact SD-SD 4.18Å; R85-M143 WeakPolarHBondContact CA-SD 3.37Å; R85-M143 HydrophobicContact CB-CE 3.97Å; R85-M143 HydrophobicContact CB-SD 4.04Å; R85-M143 HydrophobicContact CG-SD 4.41Å; V88-M143 HydrophobicContact CB-SD 4.23Å; V88-M143 HydrophobicContact CG2-SD 3.95Å; E139-M143 HydrophobicContact CG-CG 4.42Å; E139-M143 WeakPolarHBondContact O-CB 3.01Å; E139-M143 VanDerWaalsContact O-CG 3.27Å; E139-M143 WeakPolarHBondContact O-CG 3.37Å; E139-M143 PolarHBondContact O-N 2.8Å; V141-M143 VanDerWaalsContact C-N 3.33Å; V141-M143 PolarHBondContact O-N 3.31Å; M143-R145 VanDerWaalsContact C-N 3.35Å; M143-R145 PolarHBondContact O-N 2.69Å; M143-Q146 PolarHBondContact O-N 3.46Å; M143-K147 PolarHBondContact O-N 3.29Å
144R96.9Very high93.8Very high101 Ų10156.8 Ų56.838%0.38128%0.279SS..Hα-helixtrans-58.7-46.1175.7-176.5176.867.3-128-1.5111.9S140 V141 Q146 K147 Q148S140-R144 PolarHBondContact O-N 3.18Å; S140-R144 VanDerWaalsContact O-N 3.11Å; V141-R144 PolarHBondContact O-N 2.84Å; R144-Q146 VanDerWaalsContact C-N 3.35Å; R144-Q146 PolarHBondContact O-N 2.67Å; R144-K147 PolarHBondContact O-N 3.26Å; R144-Q148 PolarHBondContact O-N 3.32Å
145R97.4Very high94.8Very high7 Ų753.2 Ų53.23%0.02626%0.261CS..Hα-helixtrans-61.8-42.4177.6-72.2-169.6-178.8163.67.4111.4E136 V141 L142 M143 Q148 I149 K181 K183 Y185 W190E136-R145 IonicContact OE2-CZ 2.68Å; E136-R145 IonicContact OE2-NH1 3.69Å; E136-R145 IonicContact OE2-NH2 3.44Å; E136-R145 PolarHBondContact OE2-NH2 3.23Å; V141-R145 HydrophobicContact CG1-CG 4.2Å; V141-R145 WeakPolarHBondContact O-CB 3.48Å; V141-R145 VanDerWaalsContact O-CG 3.24Å; V141-R145 WeakPolarHBondContact O-CG 3.17Å; V141-R145 PolarHBondContact O-N 3.04Å; L142-R145 PolarHBondContact O-N 2.75Å; M143-R145 VanDerWaalsContact C-N 3.35Å; M143-R145 PolarHBondContact O-N 2.69Å; R145-Q148 PolarHBondContact O-N 3.37Å; R145-I149 WeakPolarHBondContact O-CG1 3.32Å; R145-I149 PolarHBondContact O-N 2.96Å; R145-K181 HydrophobicContact CB-CB 3.8Å; R145-K181 WeakPolarHBondContact CD-O 3.32Å; R145-K181 PolarHBondContact NH1-O 3.2Å; R145-K183 PolarHBondContact NH1-O 2.94Å; R145-Y185 PolarHBondContact NH2-O 3.5Å; R145-W190 HydrophobicContact CB-CH2 3.86Å; R145-W190 HydrophobicContact CB-CZ2 3.34Å; R145-W190 HydrophobicContact CG-CD2 3.85Å; R145-W190 HydrophobicContact CG-CE3 4.38Å; R145-W190 HydrophobicContact CG-CG 4.38Å; R145-W190 HydrophobicContact CG-CH2 4.05Å; R145-W190 HydrophobicContact CG-CZ2 3.49Å; R145-W190 VanDerWaalsContact CG-CZ2 3.49Å; R145-W190 HydrophobicContact CG-CZ3 4.46Å
146Q96.9Very high95.1Very high25 Ų2555.6 Ų55.612%0.11728%0.276CS..Hα-helixtrans-63.8-42.2177.1-175.657.454.200111.6M84 V88 L142 M143 R144 Q148 I149 N150 K181M84-Q146 HydrophobicContact CG-CG 3.95Å; M84-Q146 HydrophobicContact SD-CB 4.09Å; M84-Q146 HydrophobicContact SD-CG 3.83Å; V88-Q146 HydrophobicContact CG2-CB 4.08Å; V88-Q146 HydrophobicContact CG2-CG 4.12Å; L142-Q146 VanDerWaalsContact O-CB 3.29Å; L142-Q146 WeakPolarHBondContact O-CB 3.3Å; L142-Q146 PolarHBondContact O-N 2.89Å; M143-Q146 PolarHBondContact O-N 3.46Å; R144-Q146 VanDerWaalsContact C-N 3.35Å; R144-Q146 PolarHBondContact O-N 2.67Å; Q146-Q148 PolarHBondContact O-N 2.77Å; Q146-I149 WeakPolarHBondContact O-CB 3.39Å; Q146-I149 PolarHBondContact O-N 2.85Å; Q146-N150 PolarHBondContact NE2-OD1 3.41Å; Q146-N150 PolarHBondContact O-N 3.39Å; Q146-N150 PolarHBondContact O-OD1 3.24Å; Q146-K181 HydrophobicContact CB-CD 4.25Å; Q146-K181 VanDerWaalsContact OE1-CE 3.26Å
147K96.4Very high95.3Very high111 Ų11154.8 Ų54.848%0.48327%0.272SS..Hα-helixtrans-59.7-43.8174.9-172.9170.2-1801700112.1M143 R144 I149 N150 Y151M143-K147 PolarHBondContact O-N 3.29Å; R144-K147 PolarHBondContact O-N 3.26Å; K147-I149 VanDerWaalsContact C-N 3.35Å; K147-I149 PolarHBondContact O-N 2.58Å; K147-N150 WeakPolarHBondContact O-CB 3.29Å; K147-N150 PolarHBondContact O-N 3.43Å; K147-Y151 WeakPolarHBondContact CE-OH 3.23Å; K147-Y151 HydrophobicContact CG-CE2 4.05Å; K147-Y151 PolarHBondContact O-N 2.88Å
148Q97.4Very high95.5Very high42 Ų4252 Ų5220%0.19625%0.253CS..Hα-helixtrans-62.8-39.2174.4-72.6172.4-54.700112.7R144 R145 Q146 Y151 G152 D191 I194R144-Q148 PolarHBondContact O-N 3.32Å; R145-Q148 PolarHBondContact O-N 3.37Å; Q146-Q148 PolarHBondContact O-N 2.77Å; Q148-Y151 PolarHBondContact O-N 3.38Å; Q148-G152 PolarHBondContact O-N 3.11Å; Q148-D191 PolarHBondContact NE2-OD1 3.28Å; Q148-D191 VanDerWaalsContact NE2-OD1 3.14Å; Q148-I194 HydrophobicContact CB-CD1 4.36Å; Q148-I194 HydrophobicContact CB-CG1 4.47Å; Q148-I194 HydrophobicContact CB-CG2 4.38Å
149I97.4Very high95.5Very high6 Ų652 Ų523%0.03125%0.254CS..Hα-helixtrans-62.9-43.6172.9-69.5165.4000110.5R145 Q146 K147 Y151 G152 K153 T178 K181 W190 I194 W197R145-I149 WeakPolarHBondContact O-CG1 3.32Å; R145-I149 PolarHBondContact O-N 2.96Å; Q146-I149 WeakPolarHBondContact O-CB 3.39Å; Q146-I149 PolarHBondContact O-N 2.85Å; K147-I149 VanDerWaalsContact C-N 3.35Å; K147-I149 PolarHBondContact O-N 2.58Å; I149-Y151 VanDerWaalsContact C-N 3.3Å; I149-Y151 PolarHBondContact O-N 3.22Å; I149-G152 PolarHBondContact O-N 3.49Å; I149-G152 VanDerWaalsContact O-N 3.09Å; I149-K153 HydrophobicContact CG2-CD 3.9Å; I149-K153 HydrophobicContact CG2-CG 4.12Å; I149-K153 WeakPolarHBondContact O-CG 3.43Å; I149-K153 PolarHBondContact O-N 3.48Å; I149-T178 HydrophobicContact CB-CG2 4.49Å; I149-T178 HydrophobicContact CD1-CG2 4.13Å; I149-T178 HydrophobicContact CG1-CG2 4.01Å; I149-T178 HydrophobicContact CG2-CG2 3.68Å; I149-K181 HydrophobicContact CD1-CB 4.09Å; I149-K181 HydrophobicContact CD1-CD 4.41Å; I149-K181 HydrophobicContact CD1-CG 4.49Å; I149-W190 HydrophobicContact CD1-CH2 4.01Å; I149-W190 HydrophobicContact CD1-CZ2 4.37Å; I149-W190 HydrophobicContact CG1-CH2 4.36Å; I149-W190 HydrophobicContact CG1-CZ2 4.35Å; I149-I194 HydrophobicContact CG1-CD1 4.16Å; I149-W197 HydrophobicContact CG2-CH2 4.19Å; I149-W197 WeakPolarHBondContact O-CH2 3.41Å
150N96.6Very high95.5Very high57 Ų5754.6 Ų54.631%0.30526%0.261SS..Hα-helixtrans-60.3-40.8179.8-68.8-10.3000111.4M84 Q146 K147 G152 K153 N154M84-N150 WeakPolarHBondContact CE-ND2 3.13Å; Q146-N150 PolarHBondContact NE2-OD1 3.41Å; Q146-N150 PolarHBondContact O-N 3.39Å; Q146-N150 PolarHBondContact O-OD1 3.24Å; K147-N150 WeakPolarHBondContact O-CB 3.29Å; K147-N150 PolarHBondContact O-N 3.43Å; N150-G152 VanDerWaalsContact C-N 3.27Å; N150-G152 PolarHBondContact O-N 3.19Å; N150-K153 PolarHBondContact O-N 3.5Å; N150-K153 VanDerWaalsContact O-N 3.15Å; N150-N154 VanDerWaalsContact O-CB 3.3Å; N150-N154 WeakPolarHBondContact O-CB 3.29Å; N150-N154 PolarHBondContact O-N 3.02Å
151Y95.4Very high95.5Very high136 Ų13651.4 Ų51.453%0.53324%0.238SC..Hα-helixtrans-61.1-32.1174.8-67.1-33.1000114.1K147 Q148 I149K147-Y151 WeakPolarHBondContact CE-OH 3.23Å; K147-Y151 HydrophobicContact CG-CE2 4.05Å; K147-Y151 PolarHBondContact O-N 2.88Å; Q148-Y151 PolarHBondContact O-N 3.38Å; I149-Y151 VanDerWaalsContact C-N 3.3Å; I149-Y151 PolarHBondContact O-N 3.22Å
152G95.4Very high95.4Very high1 Ų153.8 Ų53.81%0.0125%0.25CS..Hα-helixtrans-81.1-28.4174.400000113.5Q148 I149 N150 T155 L201Q148-G152 PolarHBondContact O-N 3.11Å; I149-G152 PolarHBondContact O-N 3.49Å; I149-G152 VanDerWaalsContact O-N 3.09Å; N150-G152 VanDerWaalsContact C-N 3.27Å; N150-G152 PolarHBondContact O-N 3.19Å; G152-T155 PolarHBondContact O-OG1 2.99Å; G152-T155 VanDerWaalsContact O-OG1 3.08Å; G152-L201 WeakPolarHBondContact O-CD1 3.36Å
153K95.8Very high95.3Very high67 Ų6761.9 Ų61.929%0.29129%0.285SS..Hα-helixtrans-82-26.4178.3-69.8-171.1177172.40113.5I149 N150 T155 Y158 W197I149-K153 HydrophobicContact CG2-CD 3.9Å; I149-K153 HydrophobicContact CG2-CG 4.12Å; I149-K153 WeakPolarHBondContact O-CG 3.43Å; I149-K153 PolarHBondContact O-N 3.48Å; N150-K153 PolarHBondContact O-N 3.5Å; N150-K153 VanDerWaalsContact O-N 3.15Å; K153-T155 PolarHBondContact O-N 3.01Å; K153-T155 VanDerWaalsContact O-N 3.1Å; K153-Y158 HydrophobicContact CB-CD1 3.95Å; K153-Y158 HydrophobicContact CB-CE1 4Å; K153-Y158 HydrophobicContact CB-CG 4.34Å; K153-Y158 HydrophobicContact CD-CE1 4.1Å; K153-Y158 HydrophobicContact CG-CD1 4.1Å; K153-Y158 HydrophobicContact CG-CD2 4.28Å; K153-Y158 HydrophobicContact CG-CE1 3.77Å; K153-Y158 HydrophobicContact CG-CE2 3.97Å; K153-Y158 HydrophobicContact CG-CG 4.36Å; K153-Y158 WeakPolarHBondContact O-CD1 3.43Å; K153-W197 HydrophobicContact CG-CH2 3.94Å; K153-W197 HydrophobicContact CG-CZ2 4.26Å
154N95.3Very high95Very high145 Ų14565.9 Ų65.978%0.77530%0.304SS*.SBendtrans-8552176.2-166.115000110.3N150N150-N154 VanDerWaalsContact O-CB 3.3Å; N150-N154 WeakPolarHBondContact O-CB 3.29Å; N150-N154 PolarHBondContact O-N 3.02Å
155T94.6Very high94.8Very high35 Ų3561.9 Ų61.922%0.21529%0.291CS..SBendtrans-132.7146.7176.365.50000109.4G152 K153 A157 Y158 D159G152-T155 PolarHBondContact O-OG1 2.99Å; G152-T155 VanDerWaalsContact O-OG1 3.08Å; K153-T155 PolarHBondContact O-N 3.01Å; K153-T155 VanDerWaalsContact O-N 3.1Å; T155-A157 PolarHBondContact O-N 3.26Å; T155-Y158 PolarHBondContact O-N 2.97Å; T155-Y158 VanDerWaalsContact O-N 3.09Å; T155-Y158 WeakPolarHBondContact OG1-CB 3.38Å; T155-Y158 PolarHBondContact OG1-N 3.12Å; T155-D159 PolarHBondContact O-N 2.92Å
156I92.9Very high94.6Very high114 Ų11463.7 Ų63.759%0.58530%0.303SS*.Hα-helixtrans-61.4-36.8178.569.1-178.9000111.2Y158 D159 R160 D205I156-Y158 VanDerWaalsContact C-N 3.32Å; I156-Y158 PolarHBondContact O-N 2.98Å; I156-D159 PolarHBondContact O-N 3.46Å; I156-R160 WeakPolarHBondContact O-CG 3.27Å; I156-R160 PolarHBondContact O-N 3.47Å; I156-D205 WeakPolarHBondContact CG1-OD1 3.43Å
157A94.2Very high94.3Very high0 Ų071 Ų710%033%0.33CS..Hα-helixtrans-52.3-47.2171.500000112.4T155 R160 Y161 L201 W204 D205T155-A157 PolarHBondContact O-N 3.26Å; A157-R160 PolarHBondContact O-N 3.04Å; A157-Y161 VanDerWaalsContact O-CB 3.31Å; A157-Y161 WeakPolarHBondContact O-CB 3.44Å; A157-Y161 PolarHBondContact O-N 3.47Å; A157-L201 HydrophobicContact CB-CB 4.48Å; A157-L201 WeakPolarHBondContact CB-O 3.35Å; A157-W204 HydrophobicContact CB-CB 4.49Å; A157-D205 WeakPolarHBondContact CA-OD1 3.27Å; A157-D205 HydrophobicContact CB-CB 4.35Å; A157-D205 WeakPolarHBondContact CB-OD1 3.26Å; A157-D205 WeakPolarHBondContact CB-OD2 3.4Å; A157-D205 PolarHBondContact N-OD1 3.05Å
158Y94.5Very high94Very high17 Ų1773.4 Ų73.47%0.06734%0.342CS..Hα-helixtrans-66.8-40-178.9-175.1-94.3000111.5K153 T155 I156 Y161 I162 W197 L201K153-Y158 HydrophobicContact CB-CD1 3.95Å; K153-Y158 HydrophobicContact CB-CE1 4Å; K153-Y158 HydrophobicContact CB-CG 4.34Å; K153-Y158 HydrophobicContact CD-CE1 4.1Å; K153-Y158 HydrophobicContact CG-CD1 4.1Å; K153-Y158 HydrophobicContact CG-CD2 4.28Å; K153-Y158 HydrophobicContact CG-CE1 3.77Å; K153-Y158 HydrophobicContact CG-CE2 3.97Å; K153-Y158 HydrophobicContact CG-CG 4.36Å; K153-Y158 WeakPolarHBondContact O-CD1 3.43Å; T155-Y158 PolarHBondContact O-N 2.97Å; T155-Y158 VanDerWaalsContact O-N 3.09Å; T155-Y158 WeakPolarHBondContact OG1-CB 3.38Å; T155-Y158 PolarHBondContact OG1-N 3.12Å; I156-Y158 VanDerWaalsContact C-N 3.32Å; I156-Y158 PolarHBondContact O-N 2.98Å; Y158-Y161 HydrophobicContact CD2-CD1 4.22Å; Y158-Y161 HydrophobicContact CE2-CD1 4.28Å; Y158-Y161 PolarHBondContact O-N 3.02Å; Y158-I162 HydrophobicContact CD1-CG2 4.16Å; Y158-I162 HydrophobicContact CE1-CD1 4.43Å; Y158-I162 HydrophobicContact CE1-CG2 3.66Å; Y158-I162 HydrophobicContact CE2-CG2 4.26Å; Y158-I162 WeakPolarHBondContact O-CG2 3.46Å; Y158-I162 PolarHBondContact O-N 3.05Å; Y158-W197 HydrophobicContact CD2-CZ2 4.2Å; Y158-W197 HydrophobicContact CE2-CZ2 4.04Å; Y158-L201 HydrophobicContact CD2-CD1 3.86Å; Y158-L201 HydrophobicContact CD2-CD2 3.68Å; Y158-L201 HydrophobicContact CD2-CG 4.45Å; Y158-L201 HydrophobicContact CE2-CD2 4.48Å
159D93.9Very high93.7Very high77 Ų7776.6 Ų76.641%0.41236%0.36SS..Hα-helixtrans-64.2-39.1176.8-74.1-17.3000112.5T155 I156 I162 K163T155-D159 PolarHBondContact O-N 2.92Å; I156-D159 PolarHBondContact O-N 3.46Å; D159-I162 VanDerWaalsContact O-CG1 3.22Å; D159-I162 WeakPolarHBondContact O-CG1 3.26Å; D159-K163 WeakPolarHBondContact O-CD 3.42Å; D159-K163 VanDerWaalsContact O-CG 3.28Å; D159-K163 WeakPolarHBondContact O-CG 3.29Å; D159-K163 PolarHBondContact O-N 3.45Å
160R93.1Very high93.5Very high101 Ų10179 Ų7938%0.38137%0.369SS..Hα-helixtrans-66.5-48172.5-71.7-173.461.5173.4-3111.6I156 A157 I162 K163 E164 W204I156-R160 WeakPolarHBondContact O-CG 3.27Å; I156-R160 PolarHBondContact O-N 3.47Å; A157-R160 PolarHBondContact O-N 3.04Å; R160-I162 VanDerWaalsContact C-N 3.31Å; R160-I162 PolarHBondContact O-N 3.33Å; R160-K163 PolarHBondContact O-N 3.14Å; R160-E164 IonicContact CZ-OE1 3.27Å; R160-E164 IonicContact NE-OE1 3.51Å; R160-E164 PolarHBondContact NE-OE1 3.46Å; R160-E164 IonicContact NH2-OE1 3.49Å; R160-E164 PolarHBondContact NH2-OE1 2.81Å; R160-E164 VanDerWaalsContact NH2-OE1 3.09Å; R160-E164 WeakPolarHBondContact O-CB 3.35Å; R160-E164 WeakPolarHBondContact O-CG 3.45Å; R160-E164 PolarHBondContact O-N 2.98Å; R160-W204 HydrophobicContact CB-CB 4.27Å; R160-W204 WeakPolarHBondContact CD-O 2.97Å; R160-W204 PolarHBondContact NE-O 3.23Å
161Y93.6Very high93.2Very high2 Ų281.7 Ų81.71%0.00838%0.379CS..Hα-helixtrans-53.9-44.4178.2165.8-124.1000112.6A157 Y158 K163 V165 R170 H175 P176 L201 W204A157-Y161 VanDerWaalsContact O-CB 3.31Å; A157-Y161 WeakPolarHBondContact O-CB 3.44Å; A157-Y161 PolarHBondContact O-N 3.47Å; Y158-Y161 HydrophobicContact CD2-CD1 4.22Å; Y158-Y161 HydrophobicContact CE2-CD1 4.28Å; Y158-Y161 PolarHBondContact O-N 3.02Å; Y161-K163 VanDerWaalsContact C-N 3.33Å; Y161-K163 PolarHBondContact O-N 3.13Å; Y161-V165 HydrophobicContact CD2-CB 4.09Å; Y161-V165 HydrophobicContact CD2-CG2 4.2Å; Y161-V165 HydrophobicContact CE2-CB 3.92Å; Y161-V165 HydrophobicContact CE2-CG1 4.33Å; Y161-V165 HydrophobicContact CE2-CG2 4.28Å; Y161-V165 WeakPolarHBondContact O-CA 3.4Å; Y161-V165 WeakPolarHBondContact O-CB 3.29Å; Y161-V165 PolarHBondContact O-N 3.31Å; Y161-R170 VanDerWaalsContact OH-CD 3.27Å; Y161-R170 WeakPolarHBondContact OH-CD 3.49Å; Y161-R170 PolarHBondContact OH-NE 2.87Å; Y161-H175 HydrophobicContact CE2-CB 4.13Å; Y161-P176 HydrophobicContact CE1-CG 4.13Å; Y161-P176 HydrophobicContact CE2-CG 4.29Å; Y161-P176 PolarHBondContact OH-O 2.91Å; Y161-L201 HydrophobicContact CD1-CD2 3.77Å; Y161-L201 HydrophobicContact CE1-CD2 4.29Å; Y161-L201 HydrophobicContact CG-CD2 4.3Å; Y161-W204 AromaticContact CD2-CD2 3.94Å; Y161-W204 HydrophobicContact CD2-CD2 3.94Å; Y161-W204 AromaticContact CD2-CE2 3.62Å; Y161-W204 HydrophobicContact CD2-CE3 4.14Å; Y161-W204 AromaticContact CD2-CH2 3.85Å; Y161-W204 HydrophobicContact CD2-CH2 3.85Å; Y161-W204 AromaticContact CD2-CZ2 3.56Å; Y161-W204 HydrophobicContact CD2-CZ2 3.56Å; Y161-W204 HydrophobicContact CD2-CZ3 4.12Å; Y161-W204 HydrophobicContact CE2-CH2 4.03Å; Y161-W204 AromaticContact CE2-CZ2 3.97Å; Y161-W204 HydrophobicContact CE2-CZ2 3.97Å; Y161-W204 HydrophobicContact CG-CD2 4.2Å; Y161-W204 HydrophobicContact CG-CE3 4.28Å
162I94.4Very high92.9Very high68 Ų6881.3 Ų81.335%0.34939%0.393SS..Hα-helixtrans-72-26.1179.865.5174.9000113.6Y158 D159 R160Y158-I162 HydrophobicContact CD1-CG2 4.16Å; Y158-I162 HydrophobicContact CE1-CD1 4.43Å; Y158-I162 HydrophobicContact CE1-CG2 3.66Å; Y158-I162 HydrophobicContact CE2-CG2 4.26Å; Y158-I162 WeakPolarHBondContact O-CG2 3.46Å; Y158-I162 PolarHBondContact O-N 3.05Å; D159-I162 VanDerWaalsContact O-CG1 3.22Å; D159-I162 WeakPolarHBondContact O-CG1 3.26Å; R160-I162 VanDerWaalsContact C-N 3.31Å; R160-I162 PolarHBondContact O-N 3.33Å
163K92.4Very high92.4Very high169 Ų16985.4 Ų85.474%0.73544%0.436SS*.Hα-helixtrans-78-45.1176.2-73.3172.3-177.4174.40111.3D159 R160 Y161D159-K163 WeakPolarHBondContact O-CD 3.42Å; D159-K163 VanDerWaalsContact O-CG 3.28Å; D159-K163 WeakPolarHBondContact O-CG 3.29Å; D159-K163 PolarHBondContact O-N 3.45Å; R160-K163 PolarHBondContact O-N 3.14Å; Y161-K163 VanDerWaalsContact C-N 3.33Å; Y161-K163 PolarHBondContact O-N 3.13Å
164E91.4Very high92.1Very high102 Ų10287.9 Ų87.948%0.47745%0.451SS..Hα-helixtrans-73.4-38.1-179.6-67.2178.9-157.700111.7R160 P166 W204R160-E164 IonicContact CZ-OE1 3.27Å; R160-E164 IonicContact NE-OE1 3.51Å; R160-E164 PolarHBondContact NE-OE1 3.46Å; R160-E164 IonicContact NH2-OE1 3.49Å; R160-E164 PolarHBondContact NH2-OE1 2.81Å; R160-E164 VanDerWaalsContact NH2-OE1 3.09Å; R160-E164 WeakPolarHBondContact O-CB 3.35Å; R160-E164 WeakPolarHBondContact O-CG 3.45Å; R160-E164 PolarHBondContact O-N 2.98Å; E164-P166 WeakPolarHBondContact O-CD 3.46Å; E164-W204 PolarHBondContact OE2-NE1 2.74Å
165V92.3Very high92Very high18 Ų1883 Ų8311%0.10942%0.423CS..SBendtrans-12390.9-175.8-168.10000112.2Y161 R170 H175 W204Y161-V165 HydrophobicContact CD2-CB 4.09Å; Y161-V165 HydrophobicContact CD2-CG2 4.2Å; Y161-V165 HydrophobicContact CE2-CB 3.92Å; Y161-V165 HydrophobicContact CE2-CG1 4.33Å; Y161-V165 HydrophobicContact CE2-CG2 4.28Å; Y161-V165 WeakPolarHBondContact O-CA 3.4Å; Y161-V165 WeakPolarHBondContact O-CB 3.29Å; Y161-V165 PolarHBondContact O-N 3.31Å; V165-R170 HydrophobicContact CG1-CG 3.57Å; V165-R170 PolarHBondContact O-NE 3.46Å; V165-R170 VanDerWaalsContact O-NE 3.08Å; V165-R170 PolarHBondContact O-NH2 2.84Å; V165-H175 WeakPolarHBondContact CG1-CE1 3.36Å; V165-W204 HydrophobicContact CG2-CZ2 4.45Å
166P93.4Very high92Very high44 Ų4481.9 Ų81.929%0.28642%0.416SS..  trans-54.8147.5172-26.734.3000112.9E164 H168 L169 R170E164-P166 WeakPolarHBondContact O-CD 3.46Å; P166-H168 VanDerWaalsContact C-N 3.29Å; P166-H168 PolarHBondContact O-N 2.65Å; P166-H168 VanDerWaalsContact O-N 3.15Å; P166-L169 HydrophobicContact CB-CD1 4.42Å; P166-L169 HydrophobicContact CG-CD1 4.14Å; P166-L169 PolarHBondContact O-N 3.34Å; P166-R170 PolarHBondContact O-N 2.9Å
167R89.9Confident92Very high180 Ų18085.1 Ų85.168%0.67943%0.427SS*.G310 helixtrans-53.8-40-173.4-81.6-178.7175.4-103.52.5114.7L169 R170R167-L169 VanDerWaalsContact C-N 3.3Å; R167-R170 PolarHBondContact O-N 3.31Å
168H89.7Confident92.1Very high161 Ų16186.8 Ų86.875%0.74544%0.437SS*.G310 helixtrans-76.8-15.3-177.952.879.9000113.3P166P166-H168 VanDerWaalsContact C-N 3.29Å; P166-H168 PolarHBondContact O-N 2.65Å; P166-H168 VanDerWaalsContact O-N 3.15Å
169L91.2Very high92.2Very high108 Ų10886.6 Ų86.657%0.56544%0.437SS*.G310 helixtrans-94.60.6174.7-64.4176.9000112.5P166 R167 Q171P166-L169 HydrophobicContact CB-CD1 4.42Å; P166-L169 HydrophobicContact CG-CD1 4.14Å; P166-L169 PolarHBondContact O-N 3.34Å; R167-L169 VanDerWaalsContact C-N 3.3Å; L169-Q171 PolarHBondContact O-N 3.3Å
170R93.4Very high92.2Very high58 Ų5886.5 Ų86.522%0.21944%0.437CS..PPolyproline II helixtrans-74.2118.6-175.8-71.7171.8-169.2-172.33.1111.3Y161 V165 P166 R167 H175Y161-R170 VanDerWaalsContact OH-CD 3.27Å; Y161-R170 WeakPolarHBondContact OH-CD 3.49Å; Y161-R170 PolarHBondContact OH-NE 2.87Å; V165-R170 HydrophobicContact CG1-CG 3.57Å; V165-R170 PolarHBondContact O-NE 3.46Å; V165-R170 VanDerWaalsContact O-NE 3.08Å; V165-R170 PolarHBondContact O-NH2 2.84Å; P166-R170 PolarHBondContact O-N 2.9Å; R167-R170 PolarHBondContact O-N 3.31Å; R170-H175 VanDerWaalsContact CA-ND1 3.34Å; R170-H175 WeakPolarHBondContact CA-ND1 3.37Å; R170-H175 HydrophobicContact CB-CB 4.38Å; R170-H175 HydrophobicContact CG-CB 4.44Å
171Q90Very high92.3Very high113 Ų11382.2 Ų82.253%0.52842%0.421SS..PPolyproline II helixtrans-84.5135174.3-64.9-178.8-10.200112L169 H175L169-Q171 PolarHBondContact O-N 3.3Å; Q171-H175 PolarHBondContact N-ND1 2.84Å; Q171-H175 PolarHBondContact O-N 3.46Å
172P89.6Confident92.3Very high127 Ų12783 Ų8383%0.82543%0.425SS*.THydrogen-bonded Turntrans-67141.2172.629.6-33.2000110.3I174P172-I174 VanDerWaalsContact C-N 3.32Å; P172-I174 PolarHBondContact O-N 3.34Å
173G85.1Confident92.2Very high87 Ų8785.2 Ų85.290%0.89743%0.432SS*.THydrogen-bonded Turntrans92.9-33.3179.400000114.3
174I89.3Confident92.3Very high119 Ų11982 Ų8261%0.6142%0.418SS*.THydrogen-bonded Turntrans-97.1-48.3178.4-60.9172.4000111P172P172-I174 VanDerWaalsContact C-N 3.32Å; P172-I174 PolarHBondContact O-N 3.34Å
175H92.7Very high92.4Very high43 Ų4380 Ų8020%0.19941%0.406CS..SBendtrans-92136.4-173.2-61.4145.2000113Y161 V165 R170 Q171 K177Y161-H175 HydrophobicContact CE2-CB 4.13Å; V165-H175 WeakPolarHBondContact CG1-CE1 3.36Å; R170-H175 VanDerWaalsContact CA-ND1 3.34Å; R170-H175 WeakPolarHBondContact CA-ND1 3.37Å; R170-H175 HydrophobicContact CB-CB 4.38Å; R170-H175 HydrophobicContact CG-CB 4.44Å; Q171-H175 PolarHBondContact N-ND1 2.84Å; Q171-H175 PolarHBondContact O-N 3.46Å; H175-K177 PolarHBondContact O-N 2.88Å
176P94.1Very high92.6Very high11 Ų1182.8 Ų82.87%0.07143%0.426CS..  trans-65127.4178.825.9-33.4000110.9Y161 A200 L201 W204Y161-P176 HydrophobicContact CE1-CG 4.13Å; Y161-P176 HydrophobicContact CE2-CG 4.29Å; Y161-P176 PolarHBondContact OH-O 2.91Å; P176-A200 HydrophobicContact CB-CB 3.81Å; P176-A200 HydrophobicContact CG-CB 4.37Å; P176-L201 HydrophobicContact CB-CD2 4.33Å; P176-L201 HydrophobicContact CG-CD2 3.76Å; P176-L201 HydrophobicContact CG-CG 4.37Å; P176-W204 HydrophobicContact CG-CE3 4.41Å; P176-W204 HydrophobicContact CG-CH2 3.89Å; P176-W204 HydrophobicContact CG-CZ3 3.47Å; P176-W204 VanDerWaalsContact CG-CZ3 3.47Å
177K93.8Very high92.7Very high183 Ų18387.5 Ų87.580%0.79644%0.438SS*.  trans-104.2128.8174.8-174.1175-179175.30110H175 P179H175-K177 PolarHBondContact O-N 2.88Å; K177-P179 WeakPolarHBondContact O-CD 3.5Å
178T96.1Very high93.1Very high35 Ų3589.1 Ų89.122%0.21544%0.444CS..  trans-58.6125.8174.3-51.60000110.1I149 W197I149-T178 HydrophobicContact CB-CG2 4.49Å; I149-T178 HydrophobicContact CD1-CG2 4.13Å; I149-T178 HydrophobicContact CG1-CG2 4.01Å; I149-T178 HydrophobicContact CG2-CG2 3.68Å; T178-W197 HydrophobicContact CG2-CH2 4.16Å; T178-W197 HydrophobicContact CG2-CZ2 3.96Å; T178-W197 WeakPolarHBondContact OG1-CZ2 3.33Å
179P95.8Very high93.4Very high12 Ų1283.6 Ų83.68%0.07842%0.424CS..  trans-57141.9176.8-27.937.1000112.3K177 K181 W190 Q193 I194 W197K177-P179 WeakPolarHBondContact O-CD 3.5Å; P179-K181 PolarHBondContact O-N 3.42Å; P179-W190 HydrophobicContact CB-CE3 4.31Å; P179-W190 HydrophobicContact CB-CH2 3.9Å; P179-W190 HydrophobicContact CB-CZ3 3.66Å; P179-Q193 HydrophobicContact CB-CB 4.23Å; P179-Q193 HydrophobicContact CG-CB 3.91Å; P179-I194 HydrophobicContact CB-CD1 4.37Å; P179-I194 HydrophobicContact CG-CD1 3.97Å; P179-W197 HydrophobicContact CG-CB 4.2Å; P179-W197 HydrophobicContact CG-CG 4.44Å
180N95.2Very high93.7Very high76 Ų7678.6 Ų78.641%0.40640%0.398SS..  trans-82.2106.3-177.4-175.6-11.7000111F182 K183 Y185N180-F182 PolarHBondContact O-N 3.49Å; N180-F182 PolarHBondContact OD1-N 3.16Å; N180-K183 HydrophobicContact CB-CB 4.31Å; N180-K183 PolarHBondContact O-N 3.42Å; N180-Y185 WeakPolarHBondContact O-CE2 3.3Å
181K94.9Very high93.9Very high11 Ų1178.1 Ų78.15%0.04840%0.399CS..THydrogen-bonded Turntrans-60.5-25.218064.6-179.1178.1177.30114.5E91 L142 R145 Q146 I149 P179 W190E91-K181 WeakPolarHBondContact OE2-CE 3.42Å; E91-K181 IonicContact OE2-NZ 3.36Å; E91-K181 PolarHBondContact OE2-NZ 2.99Å; L142-K181 HydrophobicContact CD2-CB 4.31Å; L142-K181 HydrophobicContact CD2-CG 4.3Å; L142-K181 WeakPolarHBondContact CD2-O 3.26Å; R145-K181 HydrophobicContact CB-CB 3.8Å; R145-K181 WeakPolarHBondContact CD-O 3.32Å; R145-K181 PolarHBondContact NH1-O 3.2Å; Q146-K181 HydrophobicContact CB-CD 4.25Å; Q146-K181 VanDerWaalsContact OE1-CE 3.26Å; I149-K181 HydrophobicContact CD1-CB 4.09Å; I149-K181 HydrophobicContact CD1-CD 4.41Å; I149-K181 HydrophobicContact CD1-CG 4.49Å; P179-K181 PolarHBondContact O-N 3.42Å; K181-W190 HydrophobicContact CB-CH2 3.95Å; K181-W190 HydrophobicContact CB-CZ3 4.48Å
182F93.6Very high94.3Very high18 Ų1877.3 Ų77.38%0.07940%0.396CS..THydrogen-bonded Turntrans-86.3-10.2-178.5-60-69.9000114.1E91 M92 N95 F135 E136 L142 N180E91-F182 HydrophobicContact CB-CE1 4.4Å; E91-F182 HydrophobicContact CB-CE2 4Å; E91-F182 HydrophobicContact CB-CZ 3.44Å; E91-F182 VanDerWaalsContact CB-CZ 3.44Å; E91-F182 WeakPolarHBondContact OE2-CZ 3.39Å; M92-F182 HydrophobicContact CB-CD1 4.39Å; M92-F182 HydrophobicContact CB-CE1 3.8Å; M92-F182 HydrophobicContact CG-CE1 4.46Å; N95-F182 WeakPolarHBondContact ND2-CB 3.34Å; F135-F182 CarbonylContact C-O 3.56Å; F135-F182 WeakPolarHBondContact CA-O 3.11Å; F135-F182 HydrophobicContact CD1-CB 4.49Å; E136-F182 PolarHBondContact N-O 2.87Å; L142-F182 HydrophobicContact CD1-CD1 4.03Å; L142-F182 HydrophobicContact CD1-CE1 3.93Å; L142-F182 HydrophobicContact CD2-CD1 3.66Å; L142-F182 HydrophobicContact CD2-CE1 4Å; L142-F182 HydrophobicContact CD2-CG 4.42Å; N180-F182 PolarHBondContact O-N 3.49Å; N180-F182 PolarHBondContact OD1-N 3.16Å
183K93.2Very high94.7Very high114 Ų11473.6 Ų73.650%0.49637%0.367SS..BIsolated β-bridgetrans-81.2142176.8-175.7164-179.6174.10109.6R145 N180 Y185R145-K183 PolarHBondContact NH1-O 2.94Å; N180-K183 HydrophobicContact CB-CB 4.31Å; N180-K183 PolarHBondContact O-N 3.42Å; K183-Y185 HydrophobicContact CB-CD2 4.22Å; K183-Y185 HydrophobicContact CB-CE2 3.67Å; K183-Y185 HydrophobicContact CD-CE1 4.38Å; K183-Y185 HydrophobicContact CD-CE2 4.33Å; K183-Y185 HydrophobicContact CG-CE1 4.49Å; K183-Y185 HydrophobicContact CG-CE2 4.02Å; K183-Y185 WeakPolarHBondContact O-CD2 3.4Å; K183-Y185 PolarHBondContact O-N 2.87Å
184K93.4Very high95.3Very high103 Ų10370 Ų7045%0.44833%0.327SS..  trans-65124.5172.1-64.8-67.4-68.3-174.60109.4D134 E136D134-K184 WeakPolarHBondContact O-CG 3.46Å; D134-K184 PolarHBondContact O-N 3.19Å; E136-K184 HydrophobicContact CB-CD 4.17Å; E136-K184 IonicContact OE1-NZ 3.09Å; E136-K184 PolarHBondContact OE1-NZ 3.36Å; E136-K184 IonicContact OE2-NZ 3.53Å
185Y94.3Very high95.7Very high60 Ų6070.9 Ų70.924%0.23533%0.327CS..  trans-137.3147.9173.4-70.3-67.7000109R145 N180 K183 W190 Q193R145-Y185 PolarHBondContact NH2-O 3.5Å; N180-Y185 WeakPolarHBondContact O-CE2 3.3Å; K183-Y185 HydrophobicContact CB-CD2 4.22Å; K183-Y185 HydrophobicContact CB-CE2 3.67Å; K183-Y185 HydrophobicContact CD-CE1 4.38Å; K183-Y185 HydrophobicContact CD-CE2 4.33Å; K183-Y185 HydrophobicContact CG-CE1 4.49Å; K183-Y185 HydrophobicContact CG-CE2 4.02Å; K183-Y185 WeakPolarHBondContact O-CD2 3.4Å; K183-Y185 PolarHBondContact O-N 2.87Å; Y185-W190 AromaticContact CD2-CE3 3.77Å; Y185-W190 HydrophobicContact CD2-CE3 3.77Å; Y185-W190 HydrophobicContact CD2-CZ3 4.27Å; Y185-W190 HydrophobicContact CE2-CE3 4.26Å; Y185-W190 HydrophobicContact CE2-CZ3 4.4Å; Y185-Q193 VanDerWaalsContact CZ-OE1 3.28Å; Y185-Q193 PolarHBondContact OH-OE1 2.84Å
186S95.5Very high95.9Very high75 Ų7573.7 Ų73.752%0.52434%0.343SS..  trans-64.1155.1164.775.90000109.8R188 S189 W190S186-R188 VanDerWaalsContact C-N 3.27Å; S186-R188 PolarHBondContact O-N 3.34Å; S186-S189 PolarHBondContact O-N 3.37Å; S186-S189 WeakPolarHBondContact OG-CB 3.47Å; S186-S189 PolarHBondContact OG-N 3.33Å; S186-S189 VanDerWaalsContact OG-N 3.14Å; S186-W190 PolarHBondContact O-N 3.15Å
187R95.9Very high96Very high143 Ų14373.6 Ų73.654%0.5434%0.341SS..Hα-helixtrans-53.5-46.1178.5175.260.5-169.6-78.2-7.3112W190 D191R187-W190 PolarHBondContact O-N 3.25Å; R187-D191 IonicContact CZ-OD2 2.85Å; R187-D191 IonicContact NE-OD1 2.69Å; R187-D191 PolarHBondContact NE-OD1 2.88Å; R187-D191 IonicContact NE-OD2 3.64Å; R187-D191 PolarHBondContact NE-OD2 3.36Å; R187-D191 IonicContact NH2-OD2 2.75Å; R187-D191 PolarHBondContact NH2-OD2 3.38Å; R187-D191 PolarHBondContact O-N 3.47Å
188R97.5Very high96.1Very high214 Ų21468.8 Ų68.881%0.80832%0.32SS*.Hα-helixtrans-68.2-41.5-179.1-61.8-175.8-176.6-81.21.6112.3S186 W190 D191 Q192S186-R188 VanDerWaalsContact C-N 3.27Å; S186-R188 PolarHBondContact O-N 3.34Å; R188-W190 VanDerWaalsContact C-N 3.32Å; R188-W190 PolarHBondContact O-N 2.98Å; R188-D191 PolarHBondContact O-N 2.9Å; R188-Q192 WeakPolarHBondContact O-CB 3.33Å; R188-Q192 PolarHBondContact O-N 3.06Å
189S97.3Very high96.1Very high46 Ų4671.6 Ų71.632%0.32234%0.337SS..Hα-helixtrans-61.8-41.5176.41750000111.6S186 Q193S186-S189 PolarHBondContact O-N 3.37Å; S186-S189 WeakPolarHBondContact OG-CB 3.47Å; S186-S189 PolarHBondContact OG-N 3.33Å; S186-S189 VanDerWaalsContact OG-N 3.14Å; S189-Q193 VanDerWaalsContact O-CG 3.32Å; S189-Q193 WeakPolarHBondContact O-CG 3.35Å; S189-Q193 PolarHBondContact O-N 3.48Å; S189-Q193 PolarHBondContact O-NE2 3.15Å; S189-Q193 PolarHBondContact OG-NE2 3.29Å
190W97.9Very high96Very high3 Ų373 Ų731%0.01135%0.35CS..Hα-helixtrans-64.1-51.4176.8174-94.9000112R145 I149 P179 K181 Y185 S186 R187 R188 Q192 Q193 I194R145-W190 HydrophobicContact CB-CH2 3.86Å; R145-W190 HydrophobicContact CB-CZ2 3.34Å; R145-W190 HydrophobicContact CG-CD2 3.85Å; R145-W190 HydrophobicContact CG-CE3 4.38Å; R145-W190 HydrophobicContact CG-CG 4.38Å; R145-W190 HydrophobicContact CG-CH2 4.05Å; R145-W190 HydrophobicContact CG-CZ2 3.49Å; R145-W190 VanDerWaalsContact CG-CZ2 3.49Å; R145-W190 HydrophobicContact CG-CZ3 4.46Å; I149-W190 HydrophobicContact CD1-CH2 4.01Å; I149-W190 HydrophobicContact CD1-CZ2 4.37Å; I149-W190 HydrophobicContact CG1-CH2 4.36Å; I149-W190 HydrophobicContact CG1-CZ2 4.35Å; P179-W190 HydrophobicContact CB-CE3 4.31Å; P179-W190 HydrophobicContact CB-CH2 3.9Å; P179-W190 HydrophobicContact CB-CZ3 3.66Å; K181-W190 HydrophobicContact CB-CH2 3.95Å; K181-W190 HydrophobicContact CB-CZ3 4.48Å; Y185-W190 AromaticContact CD2-CE3 3.77Å; Y185-W190 HydrophobicContact CD2-CE3 3.77Å; Y185-W190 HydrophobicContact CD2-CZ3 4.27Å; Y185-W190 HydrophobicContact CE2-CE3 4.26Å; Y185-W190 HydrophobicContact CE2-CZ3 4.4Å; S186-W190 PolarHBondContact O-N 3.15Å; R187-W190 PolarHBondContact O-N 3.25Å; R188-W190 VanDerWaalsContact C-N 3.32Å; R188-W190 PolarHBondContact O-N 2.98Å; W190-Q192 VanDerWaalsContact C-N 3.26Å; W190-Q192 PolarHBondContact O-N 3.41Å; W190-Q193 PolarHBondContact O-N 2.85Å; W190-Q193 VanDerWaalsContact O-N 3.17Å; W190-I194 HydrophobicContact CD2-CG1 4.31Å; W190-I194 HydrophobicContact CH2-CD1 4.24Å; W190-I194 HydrophobicContact CZ2-CD1 3.64Å; W190-I194 HydrophobicContact CZ2-CG1 3.83Å; W190-I194 WeakPolarHBondContact O-CG1 3.2Å; W190-I194 PolarHBondContact O-N 3.43Å
191D97.6Very high96Very high47 Ų4769.5 Ų69.525%0.25133%0.331SS..Hα-helixtrans-61.5-37.6-178.5-71-18.4000111.3Q148 R187 R188 I194 K195Q148-D191 PolarHBondContact NE2-OD1 3.28Å; Q148-D191 VanDerWaalsContact NE2-OD1 3.14Å; R187-D191 IonicContact CZ-OD2 2.85Å; R187-D191 IonicContact NE-OD1 2.69Å; R187-D191 PolarHBondContact NE-OD1 2.88Å; R187-D191 IonicContact NE-OD2 3.64Å; R187-D191 PolarHBondContact NE-OD2 3.36Å; R187-D191 IonicContact NH2-OD2 2.75Å; R187-D191 PolarHBondContact NH2-OD2 3.38Å; R187-D191 PolarHBondContact O-N 3.47Å; R188-D191 PolarHBondContact O-N 2.9Å; D191-I194 PolarHBondContact O-N 2.97Å; D191-K195 WeakPolarHBondContact O-CB 3.34Å; D191-K195 PolarHBondContact O-N 3.21Å
192Q98Very high95.8Very high96 Ų9673.9 Ų73.945%0.44935%0.351SS..Hα-helixtrans-65.5-44175.3-173.46313.200112.3R188 W190 I194 K195 L196R188-Q192 WeakPolarHBondContact O-CB 3.33Å; R188-Q192 PolarHBondContact O-N 3.06Å; W190-Q192 VanDerWaalsContact C-N 3.26Å; W190-Q192 PolarHBondContact O-N 3.41Å; Q192-I194 VanDerWaalsContact C-N 3.3Å; Q192-I194 PolarHBondContact O-N 3.07Å; Q192-K195 PolarHBondContact O-N 2.96Å; Q192-L196 HydrophobicContact CG-CD1 4.2Å; Q192-L196 HydrophobicContact CG-CG 4.48Å; Q192-L196 WeakPolarHBondContact O-CG 3.35Å; Q192-L196 PolarHBondContact O-N 3.45Å
193Q97.7Very high95.7Very high49 Ų4981 Ų8123%0.22938%0.382CS..Hα-helixtrans-60.7-41.1175.6-7717189.300111.6P179 Y185 S189 W190 W197P179-Q193 HydrophobicContact CB-CB 4.23Å; P179-Q193 HydrophobicContact CG-CB 3.91Å; Y185-Q193 VanDerWaalsContact CZ-OE1 3.28Å; Y185-Q193 PolarHBondContact OH-OE1 2.84Å; S189-Q193 VanDerWaalsContact O-CG 3.32Å; S189-Q193 WeakPolarHBondContact O-CG 3.35Å; S189-Q193 PolarHBondContact O-N 3.48Å; S189-Q193 PolarHBondContact O-NE2 3.15Å; S189-Q193 PolarHBondContact OG-NE2 3.29Å; W190-Q193 PolarHBondContact O-N 2.85Å; W190-Q193 VanDerWaalsContact O-N 3.17Å; Q193-W197 WeakPolarHBondContact O-CB 3.12Å; Q193-W197 PolarHBondContact O-N 3.48Å
194I97.9Very high95.5Very high12 Ų1276.5 Ų76.56%0.06236%0.362CS..Hα-helixtrans-64.3-44.2175.3-69.8-68.7000111Q148 I149 P179 W190 D191 Q192 W197 K198Q148-I194 HydrophobicContact CB-CD1 4.36Å; Q148-I194 HydrophobicContact CB-CG1 4.47Å; Q148-I194 HydrophobicContact CB-CG2 4.38Å; I149-I194 HydrophobicContact CG1-CD1 4.16Å; P179-I194 HydrophobicContact CB-CD1 4.37Å; P179-I194 HydrophobicContact CG-CD1 3.97Å; W190-I194 HydrophobicContact CD2-CG1 4.31Å; W190-I194 HydrophobicContact CH2-CD1 4.24Å; W190-I194 HydrophobicContact CZ2-CD1 3.64Å; W190-I194 HydrophobicContact CZ2-CG1 3.83Å; W190-I194 WeakPolarHBondContact O-CG1 3.2Å; W190-I194 PolarHBondContact O-N 3.43Å; D191-I194 PolarHBondContact O-N 2.97Å; Q192-I194 VanDerWaalsContact C-N 3.3Å; Q192-I194 PolarHBondContact O-N 3.07Å; I194-W197 HydrophobicContact CD1-CE3 4.1Å; I194-W197 HydrophobicContact CD1-CZ3 4.43Å; I194-W197 PolarHBondContact O-N 3.32Å; I194-K198 HydrophobicContact CG2-CD 4.05Å; I194-K198 HydrophobicContact CG2-CG 4.43Å; I194-K198 WeakPolarHBondContact O-CB 3.31Å; I194-K198 WeakPolarHBondContact O-CG 3.41Å; I194-K198 PolarHBondContact O-N 3.07Å
195K97.3Very high95.2Very high137 Ų13773.6 Ų73.660%0.59635%0.352SS*.Hα-helixtrans-58.7-53.8177.7-175.1178.5-179.2179.10111.1D191 Q192 W197 K198 V199D191-K195 WeakPolarHBondContact O-CB 3.34Å; D191-K195 PolarHBondContact O-N 3.21Å; Q192-K195 PolarHBondContact O-N 2.96Å; K195-W197 VanDerWaalsContact C-N 3.33Å; K195-W197 PolarHBondContact O-N 3.5Å; K195-K198 PolarHBondContact O-N 3.38Å; K195-V199 WeakPolarHBondContact O-CG2 3.35Å; K195-V199 PolarHBondContact O-N 3.3Å
196L96.7Very high94.4Very high102 Ų10274 Ų7453%0.53436%0.362SS..Hα-helixtrans-61.1-42179.4-68175.4000111.9Q192 V199 A200Q192-L196 HydrophobicContact CG-CD1 4.2Å; Q192-L196 HydrophobicContact CG-CG 4.48Å; Q192-L196 WeakPolarHBondContact O-CG 3.35Å; Q192-L196 PolarHBondContact O-N 3.45Å; L196-V199 PolarHBondContact O-N 3.24Å; L196-A200 WeakPolarHBondContact O-CB 3.35Å; L196-A200 PolarHBondContact O-N 3.01Å
197W97.1Very high93.2Very high9 Ų976.3 Ų76.33%0.03438%0.375CS..Hα-helixtrans-61.7-45177.6173.659000112I149 K153 Y158 T178 P179 Q193 I194 K195 A200 L201I149-W197 HydrophobicContact CG2-CH2 4.19Å; I149-W197 WeakPolarHBondContact O-CH2 3.41Å; K153-W197 HydrophobicContact CG-CH2 3.94Å; K153-W197 HydrophobicContact CG-CZ2 4.26Å; Y158-W197 HydrophobicContact CD2-CZ2 4.2Å; Y158-W197 HydrophobicContact CE2-CZ2 4.04Å; T178-W197 HydrophobicContact CG2-CH2 4.16Å; T178-W197 HydrophobicContact CG2-CZ2 3.96Å; T178-W197 WeakPolarHBondContact OG1-CZ2 3.33Å; P179-W197 HydrophobicContact CG-CB 4.2Å; P179-W197 HydrophobicContact CG-CG 4.44Å; Q193-W197 WeakPolarHBondContact O-CB 3.12Å; Q193-W197 PolarHBondContact O-N 3.48Å; I194-W197 HydrophobicContact CD1-CE3 4.1Å; I194-W197 HydrophobicContact CD1-CZ3 4.43Å; I194-W197 PolarHBondContact O-N 3.32Å; K195-W197 VanDerWaalsContact C-N 3.33Å; K195-W197 PolarHBondContact O-N 3.5Å; W197-A200 PolarHBondContact O-N 3.13Å; W197-L201 HydrophobicContact CD2-CD1 4.24Å; W197-L201 HydrophobicContact CH2-CD1 4.24Å; W197-L201 HydrophobicContact CZ2-CD1 3.71Å; W197-L201 WeakPolarHBondContact O-CG 3.46Å; W197-L201 PolarHBondContact O-N 3.18Å; W197-L201 VanDerWaalsContact O-N 3.13Å
198K95.8Very high91.5Very high83 Ų8373.3 Ų73.336%0.36138%0.381SS..Hα-helixtrans-64.4-43.7176.5-72.9-179.865.8-178.30112.2I194 K195 A200 L201 H202I194-K198 HydrophobicContact CG2-CD 4.05Å; I194-K198 HydrophobicContact CG2-CG 4.43Å; I194-K198 WeakPolarHBondContact O-CB 3.31Å; I194-K198 WeakPolarHBondContact O-CG 3.41Å; I194-K198 PolarHBondContact O-N 3.07Å; K195-K198 PolarHBondContact O-N 3.38Å; K198-A200 VanDerWaalsContact C-N 3.34Å; K198-A200 PolarHBondContact O-N 3.39Å; K198-L201 WeakPolarHBondContact O-CB 3.39Å; K198-L201 PolarHBondContact O-N 2.78Å; K198-H202 PolarHBondContact O-CD2 3.02Å; K198-H202 VanDerWaalsContact O-CD2 3.24Å
199V95.1Very high89.5Confident94 Ų9472 Ų7257%0.5738%0.384SS*.Hα-helixtrans-59.4-46.5176.21710000110.7K195 L196 L201 H202K195-V199 WeakPolarHBondContact O-CG2 3.35Å; K195-V199 PolarHBondContact O-N 3.3Å; L196-V199 PolarHBondContact O-N 3.24Å; V199-L201 VanDerWaalsContact C-N 3.25Å; V199-L201 PolarHBondContact O-N 2.91Å; V199-H202 WeakPolarHBondContact O-CB 3.31Å; V199-H202 PolarHBondContact O-N 3.3Å; V199-H202 VanDerWaalsContact O-N 3.14Å
200A94.1Very high87.5Confident41 Ų4179.3 Ų79.334%0.33941%0.413SS..Hα-helixtrans-63.4-30179.200000112.9P176 L196 W197 K198 H202 F203 W204P176-A200 HydrophobicContact CB-CB 3.81Å; P176-A200 HydrophobicContact CG-CB 4.37Å; L196-A200 WeakPolarHBondContact O-CB 3.35Å; L196-A200 PolarHBondContact O-N 3.01Å; W197-A200 PolarHBondContact O-N 3.13Å; K198-A200 VanDerWaalsContact C-N 3.34Å; K198-A200 PolarHBondContact O-N 3.39Å; A200-H202 VanDerWaalsContact C-N 3.29Å; A200-H202 PolarHBondContact O-N 2.79Å; A200-F203 WeakPolarHBondContact O-CB 3.37Å; A200-F203 PolarHBondContact O-N 3.14Å; A200-W204 VanDerWaalsContact O-CZ3 3.26Å; A200-W204 WeakPolarHBondContact O-CZ3 3.39Å
201L94.6Very high85.2Confident2 Ų282.2 Ų82.21%0.0144%0.444CS..Hα-helixtrans-65.9-29.6175.9-73.5172.6000113.3G152 A157 Y158 Y161 P176 W197 K198 V199 F203 W204G152-L201 WeakPolarHBondContact O-CD1 3.36Å; A157-L201 HydrophobicContact CB-CB 4.48Å; A157-L201 WeakPolarHBondContact CB-O 3.35Å; Y158-L201 HydrophobicContact CD2-CD1 3.86Å; Y158-L201 HydrophobicContact CD2-CD2 3.68Å; Y158-L201 HydrophobicContact CD2-CG 4.45Å; Y158-L201 HydrophobicContact CE2-CD2 4.48Å; Y161-L201 HydrophobicContact CD1-CD2 3.77Å; Y161-L201 HydrophobicContact CE1-CD2 4.29Å; Y161-L201 HydrophobicContact CG-CD2 4.3Å; P176-L201 HydrophobicContact CB-CD2 4.33Å; P176-L201 HydrophobicContact CG-CD2 3.76Å; P176-L201 HydrophobicContact CG-CG 4.37Å; W197-L201 HydrophobicContact CD2-CD1 4.24Å; W197-L201 HydrophobicContact CH2-CD1 4.24Å; W197-L201 HydrophobicContact CZ2-CD1 3.71Å; W197-L201 WeakPolarHBondContact O-CG 3.46Å; W197-L201 PolarHBondContact O-N 3.18Å; W197-L201 VanDerWaalsContact O-N 3.13Å; K198-L201 WeakPolarHBondContact O-CB 3.39Å; K198-L201 PolarHBondContact O-N 2.78Å; V199-L201 VanDerWaalsContact C-N 3.25Å; V199-L201 PolarHBondContact O-N 2.91Å; L201-F203 PolarHBondContact O-N 2.96Å; L201-F203 VanDerWaalsContact O-N 3.12Å; L201-W204 PolarHBondContact O-N 3.32Å; L201-W204 VanDerWaalsContact O-N 3.12Å
202H91.8Very high82.6Confident103 Ų10385.6 Ų85.648%0.47747%0.47SS..G310 helixtrans-66.6-10.2178.9-71.5-64.6000113.6K198 V199 A200 W204 D205K198-H202 PolarHBondContact O-CD2 3.02Å; K198-H202 VanDerWaalsContact O-CD2 3.24Å; V199-H202 WeakPolarHBondContact O-CB 3.31Å; V199-H202 PolarHBondContact O-N 3.3Å; V199-H202 VanDerWaalsContact O-N 3.14Å; A200-H202 VanDerWaalsContact C-N 3.29Å; A200-H202 PolarHBondContact O-N 2.79Å; H202-W204 PolarHBondContact O-N 3.36Å; H202-W204 VanDerWaalsContact O-N 3.17Å; H202-D205 IonicContact CE1-OD2 3.22Å; H202-D205 PolarHBondContact CE1-OD2 2.98Å; H202-D205 IonicContact CG-OD2 3.04Å; H202-D205 IonicContact ND1-OD2 3.51Å; H202-D205 PolarHBondContact ND1-OD2 2.94Å; H202-D205 PolarHBondContact O-N 3Å
203F90.6Very high80.1Confident168 Ų16887 Ų8774%0.73748%0.48SS*.G310 helixtrans-57.5-26.4169-179.1-96.6000112.7A200 L201A200-F203 WeakPolarHBondContact O-CB 3.37Å; A200-F203 PolarHBondContact O-N 3.14Å; L201-F203 PolarHBondContact O-N 2.96Å; L201-F203 VanDerWaalsContact O-N 3.12Å
204W90.1Very high77.8Confident20 Ų2091.8 Ų91.88%0.07651%0.507CS..G310 helixtrans-971.9177.9-69.2-85.7000113.9A157 R160 Y161 E164 V165 P176 A200 L201 H202A157-W204 HydrophobicContact CB-CB 4.49Å; R160-W204 HydrophobicContact CB-CB 4.27Å; R160-W204 WeakPolarHBondContact CD-O 2.97Å; R160-W204 PolarHBondContact NE-O 3.23Å; Y161-W204 AromaticContact CD2-CD2 3.94Å; Y161-W204 HydrophobicContact CD2-CD2 3.94Å; Y161-W204 AromaticContact CD2-CE2 3.62Å; Y161-W204 HydrophobicContact CD2-CE3 4.14Å; Y161-W204 AromaticContact CD2-CH2 3.85Å; Y161-W204 HydrophobicContact CD2-CH2 3.85Å; Y161-W204 AromaticContact CD2-CZ2 3.56Å; Y161-W204 HydrophobicContact CD2-CZ2 3.56Å; Y161-W204 HydrophobicContact CD2-CZ3 4.12Å; Y161-W204 HydrophobicContact CE2-CH2 4.03Å; Y161-W204 AromaticContact CE2-CZ2 3.97Å; Y161-W204 HydrophobicContact CE2-CZ2 3.97Å; Y161-W204 HydrophobicContact CG-CD2 4.2Å; Y161-W204 HydrophobicContact CG-CE3 4.28Å; E164-W204 PolarHBondContact OE2-NE1 2.74Å; V165-W204 HydrophobicContact CG2-CZ2 4.45Å; P176-W204 HydrophobicContact CG-CE3 4.41Å; P176-W204 HydrophobicContact CG-CH2 3.89Å; P176-W204 HydrophobicContact CG-CZ3 3.47Å; P176-W204 VanDerWaalsContact CG-CZ3 3.47Å; A200-W204 VanDerWaalsContact O-CZ3 3.26Å; A200-W204 WeakPolarHBondContact O-CZ3 3.39Å; L201-W204 PolarHBondContact O-N 3.32Å; L201-W204 VanDerWaalsContact O-N 3.12Å; H202-W204 PolarHBondContact O-N 3.36Å; H202-W204 VanDerWaalsContact O-N 3.17Å
205D87.6Confident75.4Confident41 Ų4198.5 Ų98.522%0.21954%0.538CS..SBendtrans-79.9134.9166.9-78.4-27.6000108.4I156 A157 H202I156-D205 WeakPolarHBondContact CG1-OD1 3.43Å; A157-D205 WeakPolarHBondContact CA-OD1 3.27Å; A157-D205 HydrophobicContact CB-CB 4.35Å; A157-D205 WeakPolarHBondContact CB-OD1 3.26Å; A157-D205 WeakPolarHBondContact CB-OD2 3.4Å; A157-D205 PolarHBondContact N-OD1 3.05Å; H202-D205 IonicContact CE1-OD2 3.22Å; H202-D205 PolarHBondContact CE1-OD2 2.98Å; H202-D205 IonicContact CG-OD2 3.04Å; H202-D205 IonicContact ND1-OD2 3.51Å; H202-D205 PolarHBondContact ND1-OD2 2.94Å; H202-D205 PolarHBondContact O-N 3Å
206P76.8Confident72.7Confident70 Ų7099.9 Ų99.946%0.45555%0.546SS..PPolyproline II helixtrans-58137.1166.225.9-27.1000107.2A208P206-A208 PolarHBondContact O-N 2.73Å
207P70.6Confident70.8Confident123 Ų123102.6 Ų102.680%0.79956%0.56SS**PPolyproline II helixtrans-50.5121.417319.7-28.7000106.5E209P207-E209 PolarHBondContact O-N 2.94Å
208A60.1Low68.3Low80 Ų80108.5 Ų108.566%0.66159%0.587SS**PPolyproline II helixtrans-53.5120.2177.400000105.5P206 E210P206-A208 PolarHBondContact O-N 2.73Å; A208-E210 PolarHBondContact O-N 3.14Å
209E56Low66Low187 Ų187110.1 Ų110.187%0.87461%0.607SS**PPolyproline II helixtrans-52118.2160.2-72.4-153.5165.600105.5P207 G211P207-E209 PolarHBondContact O-N 2.94Å; E209-G211 PolarHBondContact O-N 2.86Å
210E54.8Low63.6Low199 Ų199110.6 Ų110.693%0.9361%0.609SS**SBendtrans-70.356.8178.6-69.6134.4162.200109.5A208A208-E210 PolarHBondContact O-N 3.14Å
211G49Very low61.5Low64 Ų64116.4 Ų116.466%0.6664%0.635SS**  trans-116.631.9175.100000111.1E209 D213E209-G211 PolarHBondContact O-N 2.86Å; G211-D213 VanDerWaalsContact C-N 3.3Å; G211-D213 PolarHBondContact O-N 2.68Å
212C42.5Very low58.9Low117 Ų117124.2 Ų124.279%0.79168%0.676SS**  trans-62.5106.9149.2-73.90000105.5L214C212-L214 PolarHBondContact O-N 2.65Å
213D46.3Very low56.3Low125 Ų125128 Ų12867%0.66869%0.694SS**  trans-47.876.5163.9-175.736.5000109.4G211 Q215G211-D213 VanDerWaalsContact C-N 3.3Å; G211-D213 PolarHBondContact O-N 2.68Å; D213-Q215 PolarHBondContact O-N 2.89Å; D213-Q215 VanDerWaalsContact O-N 3.1Å; D213-Q215 PolarHBondContact OD2-NE2 3.36Å
214L48.5Very low53.9Low151 Ų151125.6 Ų125.679%0.79170%0.697SS**  trans-62.499.6143-74.1173.8000102.8C212 E216C212-L214 PolarHBondContact O-N 2.65Å; L214-E216 PolarHBondContact O-N 3.27Å
215Q47.7Very low51.6Low153 Ų153129.6 Ų129.672%0.71574%0.735SS**  trans-5687.1151.3-71.517212.300105.5D213 I217D213-Q215 PolarHBondContact O-N 2.89Å; D213-Q215 VanDerWaalsContact O-N 3.1Å; D213-Q215 PolarHBondContact OD2-NE2 3.36Å; Q215-I217 PolarHBondContact O-N 3.03Å
216E41.6Very low49.3Very low166 Ų166136.9 Ų136.978%0.77677%0.768SS**  trans-51.597.1160.6-176172.3-162.500104.7L214 H218L214-E216 PolarHBondContact O-N 3.27Å; E216-H218 PolarHBondContact O-N 2.91Å
217I55.5Low47.3Very low158 Ų158139 Ų13981%0.8178%0.784SS**  trans-67.487.4169-59.1171.6000104.6Q215 P219Q215-I217 PolarHBondContact O-N 3.03Å; I217-P219 WeakPolarHBondContact O-CD 3.32Å
218H45.4Very low45.9Very low133 Ų133138.1 Ų138.162%0.61678%0.781SS**  trans-58.3120.2166-153.4-82.4000105.9E216 V220E216-H218 PolarHBondContact O-N 2.91Å; H218-V220 VanDerWaalsContact C-N 3.28Å; H218-V220 HydrophobicContact CB-CG2 4.36Å; H218-V220 PolarHBondContact O-N 2.8Å
219P48.6Very low45Very low118 Ų118139.8 Ų139.877%0.76679%0.787SS**  trans-67.996.3170.727.4-30.3000106.7I217I217-P219 WeakPolarHBondContact O-CD 3.32Å
220V43Very low44.6Very low103 Ų103137.6 Ų137.662%0.62478%0.777SS**  trans-86.4112.4169.2-169.80000106H218 L222H218-V220 VanDerWaalsContact C-N 3.28Å; H218-V220 HydrophobicContact CB-CG2 4.36Å; H218-V220 PolarHBondContact O-N 2.8Å; V220-L222 PolarHBondContact O-N 3.31Å; V220-L222 VanDerWaalsContact O-N 3.09Å
221D50Low44.2Very low164 Ų164133.5 Ų133.588%0.87777%0.768SS**  trans-48.8112.6166.7-108.5-27.5000108.9E223D221-E223 PolarHBondContact O-N 3.04Å
222L40.8Very low43.7Very low166 Ų166137.4 Ų137.487%0.86977%0.769SS**  trans-97.378.5-177.9-134.897.9000108.8V220V220-L222 PolarHBondContact O-N 3.31Å; V220-L222 VanDerWaalsContact O-N 3.09Å
223E37.7Very low43Very low183 Ų183137.4 Ų137.486%0.85577%0.766SS**  trans-81.8116.8164.4-99-168.5154.400110.5D221D221-E223 PolarHBondContact O-N 3.04Å
224S39.8Very low42.4Very low116 Ų116136.5 Ų136.581%0.81177%0.769SS**  trans42107.6144.1-60.30000120.2
225A42.1Very low42.2Very low104 Ų104133.9 Ų133.986%0.8676%0.763SS**  -168.3130.5120.900000111.8
226E39.3Very low41.8Very low195 Ų195134.6 Ų134.691%0.91177%0.767SS**  trans-42.4140.2179.6-63.516582.900116.4
227S34.5Very low41.7Very low114 Ų114133.8 Ų133.880%0.79777%0.767SS**  -172.1111.2113.3-151.30000113
228S41.9Very low40.7Very low105 Ų105133.4 Ų133.473%0.73477%0.767SS**  trans40.1111.7136.8-164.40000119.8
229S40.1Very low40.2Very low114 Ų114134.6 Ų134.680%0.79777%0.771SS**  173.3107.599.8-65.20000111.1
230E47.3Very low40.2Very low141 Ų141135.2 Ų135.266%0.65977%0.767SS**  trans-68.5160.9160.6-79.3-73.613600110Q232E230-Q232 WeakPolarHBondContact OE2-CG 3.46Å; E230-Q232 PolarHBondContact OE2-NE2 3.18Å
231P47.7Very low40.6Very low114 Ų114136.2 Ų136.274%0.7477%0.774SS**  cis-147.8147.349.333.5-9.6000119.8
232Q37.1Very low40.2Very low146 Ų146138.6 Ų138.668%0.68277%0.772SS**  35.8136.1120.3-46.4-77.4-73.400118.9E230E230-Q232 WeakPolarHBondContact OE2-CG 3.46Å; E230-Q232 PolarHBondContact OE2-NE2 3.18Å
233T28Very low40.6Very low117 Ų117136 Ų13672%0.71877%0.768SS**  -171.1141.759.349.20000112
234S34Very low40.6Very low106 Ų106129 Ų12974%0.74175%0.745SS**  trans42.2141.5137.571.70000121.4
235S45.2Very low40.8Very low95 Ų95129.7 Ų129.766%0.66474%0.744SS**  cis-173.4145.828.115.10000110.2
236Q39.2Very low40.9Very low169 Ų169130.8 Ų130.879%0.7974%0.742SS**  trans27.7142.4141.3-74.8149.7-58.200119.7
237D39Very low41Very low148 Ų148126.9 Ų126.979%0.79173%0.732SS**  -153.7134.453.8-11.5-73.3000110.9
238D34.8Very low41.7Very low150 Ų150130.6 Ų130.680%0.80273%0.734SS**  46.3129.897.9-108.6-89.9000113.9
239F34.9Very low41.8Very low159 Ų159131.3 Ų131.370%0.69773%0.734SS**  cis-168.3153.19.870.4-58.9000103.6
240D47.5Very low41.9Very low130 Ų130135.7 Ų135.770%0.69573%0.733SS**  -178137.681.5-147.6-6.6000110Y242D240-Y242 PolarHBondContact O-N 3.29Å
241V52.9Low41.8Very low124 Ų124136.7 Ų136.775%0.75274%0.737SS**  trans-83106.2-178.1168.40000108.2
242Y41Very low41.5Very low214 Ų214138.4 Ų138.484%0.83974%0.737SS**  trans-107.272.6166.3-162.8-99.2000110.4D240 G244D240-Y242 PolarHBondContact O-N 3.29Å; Y242-G244 PolarHBondContact O-N 3.34Å
243S49.6Very low41.5Very low112 Ų112137.8 Ų137.878%0.78374%0.738SS**  trans-85.593.5160.347.20000108.1
244G37.2Very low42Very low36 Ų36138.4 Ų138.437%0.37175%0.747SS.*  trans-145.569.6-175.200000113.2Y242Y242-G244 PolarHBondContact O-N 3.34Å
245T43.5Very low42.4Very low130 Ų130142 Ų14280%0.79875%0.753SS**  trans-103.1106.1158.724.20000109.1T247T245-T247 PolarHBondContact O-N 3.35Å
246P45.2Very low42.2Very low127 Ų127144.1 Ų144.183%0.82576%0.761SS**  trans-79.79317430.8-30.2000109.3K248P246-K248 PolarHBondContact O-N 3.42Å
247T40.6Very low42.7Very low114 Ų114145.3 Ų145.370%0.69977%0.767SS**  trans-81.194.1167.6-460000108.1T245 V249T245-T247 PolarHBondContact O-N 3.35Å; T247-V249 HydrophobicContact CG2-CG2 4.08Å; T247-V249 PolarHBondContact O-N 3.33Å
248K48Very low43.2Very low191 Ų191146 Ų14683%0.8377%0.77SS**  trans-75.875.9171.5-166.5179.9-179.31100109.1P246P246-K248 PolarHBondContact O-N 3.42Å
249V44.6Very low43.9Very low121 Ų121147.6 Ų147.673%0.73377%0.773SS**PPolyproline II helixtrans-74.3118.8163.8-118.20000107.1T247 H251T247-V249 HydrophobicContact CG2-CG2 4.08Å; T247-V249 PolarHBondContact O-N 3.33Å; V249-H251 PolarHBondContact O-N 3Å
250R43.4Very low44.5Very low206 Ų206147.6 Ų147.678%0.77777%0.773SS**PPolyproline II helixtrans-69.7117.8167.7-76.7-167.5164167.8-2.8107.5M252R250-M252 PolarHBondContact O-N 2.96Å
251H44.8Very low45.4Very low161 Ų161145.9 Ų145.975%0.74576%0.764SS**PPolyproline II helixtrans-56.2119160.5-160.3-90.1000107V249 D253V249-H251 PolarHBondContact O-N 3Å; H251-D253 IonicContact CE1-OD1 3.42Å; H251-D253 PolarHBondContact CE1-OD1 3.32Å; H251-D253 IonicContact ND1-OD1 2.74Å; H251-D253 PolarHBondContact ND1-OD1 3.14Å
252M41.1Very low45.6Very low151 Ų151145.9 Ų145.974%0.74476%0.759SS**  trans-116.8116171-154.761.376.600105.4R250 S254R250-M252 PolarHBondContact O-N 2.96Å; M252-S254 PolarHBondContact O-N 3.39Å
253D36.3Very low46.1Very low132 Ų132142.5 Ų142.571%0.70675%0.751SS**  trans-64.5114.2-176.6-61.9-49.5000109.3H251 Q255H251-D253 IonicContact CE1-OD1 3.42Å; H251-D253 PolarHBondContact CE1-OD1 3.32Å; H251-D253 IonicContact ND1-OD1 2.74Å; H251-D253 PolarHBondContact ND1-OD1 3.14Å; D253-Q255 PolarHBondContact O-N 3.05Å
254S38.3Very low46.6Very low130 Ų130139.9 Ų139.991%0.90974%0.736SS**  trans-81.1101.6172.1-73.60000109.3M252M252-S254 PolarHBondContact O-N 3.39Å
255Q43.4Very low47.6Very low182 Ų182142.7 Ų142.785%0.8575%0.749SS**  trans-140.198.7161.7-177.3176.560.700106.4D253D253-Q255 PolarHBondContact O-N 3.05Å
256V41Very low48.2Very low140 Ų140143.8 Ų143.885%0.84875%0.749SS**  -169.6129.4120.9-153.20000106.3D258V256-D258 PolarHBondContact O-N 2.97Å
257E50.1Low48.7Very low194 Ų194142.5 Ų142.591%0.90774%0.739SS**  trans-69.1122.2167.2-55.9-146.5141.200108.8
258D48.3Very low49.3Very low161 Ų161145.2 Ų145.286%0.86174%0.743SS**  trans-133.8101162.6-155.432.3000106.2V256 F260V256-D258 PolarHBondContact O-N 2.97Å; D258-F260 PolarHBondContact O-N 3.18Å
259E50.1Low49.6Very low184 Ų184141.3 Ų141.386%0.8674%0.738SS**  trans-67.6110.3-180-172.5171.1-173.100108.1D261E259-D261 PolarHBondContact O-N 3.33Å
260F47.7Very low49.9Very low159 Ų159143.7 Ų143.770%0.69775%0.745SS**  trans-7197.5178.5-177.4-101.6000109.6D258 L262D258-F260 PolarHBondContact O-N 3.18Å; F260-L262 HydrophobicContact CD1-CD1 4.32Å; F260-L262 HydrophobicContact CD1-CG 3.92Å; F260-L262 HydrophobicContact CE1-CD2 4.05Å; F260-L262 HydrophobicContact CE1-CG 3.81Å; F260-L262 PolarHBondContact O-N 2.89Å; F260-L262 VanDerWaalsContact O-N 3.12Å
261D66.6Low50.4Low94 Ų94145 Ų14550%0.50375%0.75SS.*  trans-72.799.4179.5-176.17.5000111.6E259 E263E259-D261 PolarHBondContact O-N 3.33Å; D261-E263 PolarHBondContact O-N 3.11Å; D261-E263 VanDerWaalsContact OD1-CB 3.24Å; D261-E263 WeakPolarHBondContact OD1-CB 2.92Å; D261-E263 PolarHBondContact OD1-N 3.5Å
262L56.5Low50.3Low124 Ų124144.7 Ų144.765%0.64975%0.754SS**SBendtrans-69.7-15.6175.5-91.2149.8000113.2F260F260-L262 HydrophobicContact CD1-CD1 4.32Å; F260-L262 HydrophobicContact CD1-CG 3.92Å; F260-L262 HydrophobicContact CE1-CD2 4.05Å; F260-L262 HydrophobicContact CE1-CG 3.81Å; F260-L262 PolarHBondContact O-N 2.89Å; F260-L262 VanDerWaalsContact O-N 3.12Å
263E51.7Low50.8Low144 Ų144147.9 Ų147.967%0.67376%0.764SS**SBendtrans-81-29.4-176.7-161.6174.9-171.800112.2D261 C265 L266 T267D261-E263 PolarHBondContact O-N 3.11Å; D261-E263 VanDerWaalsContact OD1-CB 3.24Å; D261-E263 WeakPolarHBondContact OD1-CB 2.92Å; D261-E263 PolarHBondContact OD1-N 3.5Å; E263-C265 VanDerWaalsContact C-N 3.28Å; E263-C265 PolarHBondContact O-N 3.37Å; E263-L266 PolarHBondContact O-N 2.98Å; E263-T267 PolarHBondContact O-OG1 3.16Å; E263-T267 VanDerWaalsContact O-OG1 3.11Å
264A59.9Low51.4Low56 Ų56146.9 Ų146.946%0.46377%0.767SS.*THydrogen-bonded Turntrans-64.8-28174.700000113.4L266A264-L266 VanDerWaalsContact C-N 3.33Å
265C57.5Low51.8Low95 Ų95144.9 Ų144.964%0.64276%0.759SS**THydrogen-bonded Turntrans-74.3-22.4177.2-70.20000113.4E263E263-C265 VanDerWaalsContact C-N 3.28Å; E263-C265 PolarHBondContact O-N 3.37Å
266L57.1Low51.7Low154 Ų154145.5 Ų145.581%0.80676%0.764SS**THydrogen-bonded Turntrans-93.9-7.9-174.8-68.1175.6000113.4E263 A264E263-L266 PolarHBondContact O-N 2.98Å; A264-L266 VanDerWaalsContact C-N 3.33Å
267T56.8Low52Low99 Ų99147.7 Ų147.761%0.60779%0.786SS**  trans-112.68.8-172.542.40000115.1E263 P269E263-T267 PolarHBondContact O-OG1 3.16Å; E263-T267 VanDerWaalsContact O-OG1 3.11Å; T267-P269 VanDerWaalsContact O-CD 3.25Å; T267-P269 WeakPolarHBondContact O-CD 3.25Å
268E52.6Low52.1Low171 Ų171145.4 Ų145.480%0.79978%0.78SS**  trans-67.7120.8171.9-82.9-132.9140.200111.9
269P53.1Low52.3Low110 Ų110144.5 Ų144.571%0.71478%0.775SS**  trans-75.3134.2172.7-8.125.6000110.2T267 R271T267-P269 VanDerWaalsContact O-CD 3.25Å; T267-P269 WeakPolarHBondContact O-CD 3.25Å; P269-R271 PolarHBondContact O-N 2.89Å
270L50.7Low52.4Low170 Ų170142.3 Ų142.389%0.8977%0.771SS**  trans-48.4107.3168.8-77.7163.3000110.1D272L270-D272 PolarHBondContact O-N 3.46Å
271R54Low52.7Low234 Ų234141.4 Ų141.488%0.88378%0.775SS**  trans-73.5117.5166.6-69.3-164.1-174-162.84108.5P269 F273P269-R271 PolarHBondContact O-N 2.89Å; R271-F273 PolarHBondContact O-N 3.27Å
272D44.3Very low51.9Low154 Ų154144.3 Ų144.382%0.82479%0.792SS**  trans-54.7126.6176.2-72.3-46.5000111.8L270 S274L270-D272 PolarHBondContact O-N 3.46Å; D272-S274 PolarHBondContact O-N 3.41Å; D272-S274 VanDerWaalsContact O-N 3.14Å
273F51Low51.6Low219 Ų219145.7 Ų145.796%0.96180%0.801SS**  trans-71.298.6163.4-88.3-93.4000108.6R271R271-F273 PolarHBondContact O-N 3.27Å
274S48.8Very low51.5Low110 Ų110145.8 Ų145.877%0.76981%0.811SS**  trans-146.9131.1162.1-165.80000111.6D272D272-S274 PolarHBondContact O-N 3.41Å; D272-S274 VanDerWaalsContact O-N 3.14Å
275A47Very low50.9Low89 Ų89152.7 Ų152.774%0.73684%0.837SS**  trans74.895166.700000118
276M41.3Very low50.4Low195 Ų195157.5 Ų157.596%0.96185%0.854SS**  -132.2115.7122.1-71.3-167.283.600108.9
277S47.7Very low49.7Very low185 Ų185157.8 Ų157.8100%1.29486%0.858SS**  trans-72.30163.7-178.60000111

Retrieved 277 of 277 residues in 141.8 ms (Link to these results)