A0A060WC78_ONCMY Loading...

Zinc finger and BTB domain containing 26

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A060WC78, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene zbtb26, Length 475 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
1M25Very low24.1Very low230 Ų230150.2 Ų150.2100%1.13378%0.776SS**  0126.10-68.6174.3-174.900106.4
2I23.2Very low23.8Very low151 Ų151143.8 Ų143.877%0.77476%0.762SS**  65.5115.567-63.4-176000108.6
3F22.6Very low23.6Very low155 Ų155145.1 Ų145.168%0.6877%0.767SS**  cis-164.6-175.53.3-135.7-101.6000110.1
4H20.1Very low23.4Very low146 Ų146142.9 Ų142.968%0.67676%0.761SS**  trans63.6120157.8-75.4-56.5000118.2
5I27.1Very low23.2Very low137 Ų137145.7 Ų145.770%0.70377%0.765SS**  cis54.712943.7-28.4158.2000110.1
6P36.2Very low23.1Very low107 Ų107143.1 Ų143.170%0.69576%0.763SS**  -168167.957.549.1-26.3000123.5
7V22.6Very low23.2Very low133 Ų133142.1 Ų142.181%0.80677%0.766SS**  trans59.4168.8154.5-1270000123.5
8I22.8Very low23.1Very low137 Ų137139.7 Ų139.770%0.70376%0.762SS**  trans94.1122.5157.5-53.2-154.7000114.1
9K22.3Very low23.2Very low181 Ų181142.2 Ų142.279%0.78777%0.767SS**  cis-159176.61.6-108.9164.5-171169.40107.4
10C22.3Very low23.5Very low105 Ų105145.5 Ų145.571%0.70978%0.778SS**  cis179.6-162.5-36.1-92.50000107.2
11I20.8Very low23.6Very low170 Ų170142.9 Ų142.987%0.87278%0.776SS**  trans79124.1164.6-55.2156.7000114.5
12A20.2Very low23.7Very low74 Ų74138 Ų13861%0.61276%0.764SS**  cis-153.9141.4-9.600000108.8
13I20.9Very low23.9Very low160 Ų160142.7 Ų142.782%0.82177%0.772SS**  26.3136.689.132.2174.4000115.8
14V21.4Very low24.2Very low114 Ų114144.6 Ų144.669%0.69178%0.782SS**  cis-133.2-169.611.4-123.70000109.1
15F20.5Very low24.5Very low185 Ų185146 Ų14681%0.81179%0.794SS**  cis-154.1-17011.6-127.8-49.1000110.1
16S21Very low24.5Very low105 Ų105148.6 Ų148.673%0.73480%0.803SS**  trans-154.5147.7161.3-620000109.1
17P25.9Very low24.1Very low125 Ų125153.1 Ų153.181%0.81282%0.815SS**  -139.9167.6109.234.8-20.5000111.9
18S21.3Very low24.1Very low100 Ų100151 Ų15170%0.69981%0.812SS**  cis-163.9124.8-7.136.80000110.3
19H24.7Very low24.3Very low186 Ų186151 Ų15186%0.86182%0.818SS**  -173.8125.4129.4-116.7-106.6000110A21H19-A21 PolarHBondContact O-N 2.82Å
20Q29.2Very low24.3Very low208 Ų208151.7 Ų151.797%0.97283%0.827SS**  trans-85.4100.1179.7-72.3167-9500110.6
21A25.7Very low24.5Very low91 Ų91151.6 Ų151.675%0.75283%0.827SS**SBendtrans-145-12.8172.800000115.5H19H19-A21 PolarHBondContact O-N 2.82Å
22C26.5Very low24.7Very low128 Ų128151.6 Ų151.687%0.86583%0.825SS**SBendtrans-135.577.7-178.2-64.30000111.8
23R26.8Very low24.9Very low250 Ų250152.7 Ų152.794%0.94383%0.834SS**  trans-150.241.2178.7-123.5-173.4-162.4-146.65.8115.4
24Q28.9Very low25.6Very low194 Ų194153.8 Ų153.891%0.90784%0.836SS**SBendtrans-133.96.9175.5-80.6-170.8-29.500115.2
25L27.9Very low25.9Very low177 Ų177157.1 Ų157.193%0.92784%0.844SS**SBendtrans-138.552.3-176-89.1168.7000112.5
26Q26.8Very low26.3Very low191 Ų191157.4 Ų157.489%0.89385%0.848SS**  trans-151.116.8175.5-137.9171.5500116.8
27E27.6Very low26.8Very low202 Ų202160.2 Ų160.294%0.94486%0.855SS**  trans-125.276.3173.8-71.7-174.1178.600111.1
28A23.4Very low26.8Very low89 Ų89161.3 Ų161.374%0.73685%0.849SS**SBendtrans-145.6104.8166.200000110.2
29T25.6Very low27Very low137 Ų137162.2 Ų162.284%0.8485%0.85SS**  trans44.390.9159.654.60000118.5
30M23.7Very low27.1Very low195 Ų195159 Ų15996%0.96184%0.838SS**  trans-85.5131.8137.3-69.3-138.377.100108.7
31S25.1Very low26.7Very low102 Ų102154.6 Ų154.671%0.71382%0.821SS**  trans-143.2109173.6-171.60000111.8
32M26.2Very low26.7Very low170 Ų170159 Ų15984%0.83783%0.825SS**  trans28.491.1149.7-64.8-67.5-73.900118.3
33A24.4Very low26.5Very low97 Ų97159.6 Ų159.680%0.80281%0.814SS**  trans-140104.9154.800000109.9Q35A33-Q35 PolarHBondContact O-N 3.46Å
34Q34.1Very low26.3Very low184 Ų184159.7 Ų159.786%0.8681%0.814SS**  trans-90.282.9173.7-73.1-176.4-69.600110.7
35Q28.1Very low26.1Very low183 Ų183159 Ų15986%0.85581%0.809SS**SBendtrans-164.7133.8155.4-112160.828.900111.8A33A33-Q35 PolarHBondContact O-N 3.46Å
36Q28.4Very low26Very low191 Ų191153.8 Ų153.889%0.89380%0.797SS**SBendtrans61.7145.9-178.9-58.2-172.7-4.200116Q38Q36-Q38 PolarHBondContact O-N 3.01Å
37N31.7Very low26.3Very low164 Ų164151.3 Ų151.388%0.87780%0.795SS**  trans-98.360.5-158.9-159.615.8000112.7
38Q26.6Very low26.4Very low149 Ų149150.4 Ų150.470%0.69679%0.789SS**  trans-113.9109.9175.1-70.2-167.4600111.8Q36 I40Q36-Q38 PolarHBondContact O-N 3.01Å; Q38-I40 PolarHBondContact O-N 3.38Å
39V25.2Very low26.8Very low118 Ų118149 Ų14972%0.71578%0.782SS**  trans-90.497.7166.2-176.60000108.3L41V39-L41 HydrophobicContact CG1-CD2 4.34Å; V39-L41 HydrophobicContact CG1-CG 4.24Å; V39-L41 PolarHBondContact O-N 3.22Å
40I26.5Very low27Very low120 Ų120148 Ų14862%0.61577%0.772SS**  trans-75.9106.9177.1-58.4175.8000108.8Q38Q38-I40 PolarHBondContact O-N 3.38Å
41L21.8Very low27.5Very low115 Ų115141.7 Ų141.760%0.60275%0.747SS**  trans-97.6100.1172.6-70175.4000110.1V39 F43V39-L41 HydrophobicContact CG1-CD2 4.34Å; V39-L41 HydrophobicContact CG1-CG 4.24Å; V39-L41 PolarHBondContact O-N 3.22Å; L41-F43 HydrophobicContact CB-CD2 4.11Å; L41-F43 HydrophobicContact CB-CE2 3.53Å; L41-F43 HydrophobicContact CB-CZ 4.12Å; L41-F43 HydrophobicContact CD1-CE2 4.15Å; L41-F43 HydrophobicContact CD1-CZ 4.21Å; L41-F43 HydrophobicContact CG-CE2 4.46Å; L41-F43 WeakPolarHBondContact O-CD2 3.3Å; L41-F43 PolarHBondContact O-N 3.29Å
42Q25.3Very low28Very low182 Ų182143.1 Ų143.185%0.8574%0.744SS**  trans-79.999-179.4-163177.727.100110.7
43F23.3Very low28.5Very low141 Ų141139.4 Ų139.462%0.61873%0.727SS**  trans-94.7111.2179.1-71-77.5000112.1L41 F45L41-F43 HydrophobicContact CB-CD2 4.11Å; L41-F43 HydrophobicContact CB-CE2 3.53Å; L41-F43 HydrophobicContact CB-CZ 4.12Å; L41-F43 HydrophobicContact CD1-CE2 4.15Å; L41-F43 HydrophobicContact CD1-CZ 4.21Å; L41-F43 HydrophobicContact CG-CE2 4.46Å; L41-F43 WeakPolarHBondContact O-CD2 3.3Å; L41-F43 PolarHBondContact O-N 3.29Å; F43-F45 HydrophobicContact CB-CD2 4.12Å; F43-F45 HydrophobicContact CB-CE1 4.45Å; F43-F45 HydrophobicContact CB-CE2 3.47Å; F43-F45 VanDerWaalsContact CB-CE2 3.47Å; F43-F45 HydrophobicContact CB-CZ 3.66Å; F43-F45 HydrophobicContact CG-CE2 4.41Å; F43-F45 HydrophobicContact CG-CZ 4.18Å; F43-F45 WeakPolarHBondContact O-CD2 3.5Å; F43-F45 PolarHBondContact O-N 3.23Å
44R22Very low29Very low253 Ų253141.6 Ų141.696%0.95572%0.721SS**  trans-86.498.3172.5-159.5173.8-164.5160.15.5109.8G46R44-G46 PolarHBondContact O-N 3.41Å
45F25.6Very low29.1Very low180 Ų180138.1 Ų138.179%0.78970%0.703SS**  trans-79.1118.5-175-72.4-77.1000112.8F43F43-F45 HydrophobicContact CB-CD2 4.12Å; F43-F45 HydrophobicContact CB-CE1 4.45Å; F43-F45 HydrophobicContact CB-CE2 3.47Å; F43-F45 VanDerWaalsContact CB-CE2 3.47Å; F43-F45 HydrophobicContact CB-CZ 3.66Å; F43-F45 HydrophobicContact CG-CE2 4.41Å; F43-F45 HydrophobicContact CG-CZ 4.18Å; F43-F45 WeakPolarHBondContact O-CD2 3.5Å; F43-F45 PolarHBondContact O-N 3.23Å
46G24.3Very low29.5Very low67 Ų67133.7 Ų133.769%0.69168%0.683SS**  trans-68.2158.3161.200000112R44 F48R44-G46 PolarHBondContact O-N 3.41Å; G46-F48 PolarHBondContact O-N 3.48Å
47T34.4Very low29.7Very low139 Ų139127.9 Ų127.985%0.85366%0.658SS**SBendtrans-67.588.9-166.443.50000115.6
48F29.1Very low29.9Very low183 Ų183125.2 Ų125.280%0.80364%0.643SS**  trans-146.196.2162.6-81.5-71.6000112.8G46 D50G46-F48 PolarHBondContact O-N 3.48Å; F48-D50 PolarHBondContact O-N 3.25Å
49G31Very low30.5Very low58 Ų58123.1 Ų123.160%0.59864%0.637SS**THydrogen-bonded Turntrans-70.2-23.4-171.700000116.6S51 M52 L53G49-S51 PolarHBondContact O-N 3.09Å; G49-M52 PolarHBondContact O-N 2.79Å; G49-L53 PolarHBondContact O-N 3.37Å
50D30.2Very low31Very low116 Ų116126.9 Ų126.962%0.6264%0.638SS**Hα-helixtrans-68.9-30.6-170.5-62.7-61000113.8F48 M52 L53 Q54F48-D50 PolarHBondContact O-N 3.25Å; D50-M52 VanDerWaalsContact C-N 3.34Å; D50-M52 PolarHBondContact O-N 3.33Å; D50-L53 PolarHBondContact O-N 3.18Å; D50-Q54 WeakPolarHBondContact O-CB 3.14Å; D50-Q54 PolarHBondContact O-N 3.25Å
51S35.1Very low31.4Very low64 Ų64131.2 Ų131.245%0.44865%0.647SS.*Hα-helixtrans-64.2-37.2178.8-174.10000112.4G49 K55G49-S51 PolarHBondContact O-N 3.09Å; S51-K55 WeakPolarHBondContact O-CG 3.18Å; S51-K55 PolarHBondContact O-N 3.23Å
52M35.1Very low31.9Very low131 Ų131131.6 Ų131.665%0.64565%0.645SS**Hα-helixtrans-69.1-47.2176.7-173.4178.4-176.600110.8G49 D50 Q54 K55 M56G49-M52 PolarHBondContact O-N 2.79Å; D50-M52 VanDerWaalsContact C-N 3.34Å; D50-M52 PolarHBondContact O-N 3.33Å; M52-Q54 VanDerWaalsContact C-N 3.29Å; M52-Q54 PolarHBondContact O-N 3.16Å; M52-K55 PolarHBondContact O-N 2.68Å; M52-M56 HydrophobicContact CE-SD 4.25Å; M52-M56 HydrophobicContact CG-SD 4.21Å; M52-M56 WeakPolarHBondContact O-CG 3.34Å; M52-M56 PolarHBondContact O-N 2.94Å
53L36.4Very low32.1Very low92 Ų92129.1 Ų129.148%0.48264%0.642SS.*Hα-helixtrans-63.5-35-178.7-163.669.8000112.2G49 D50 N57G49-L53 PolarHBondContact O-N 3.37Å; D50-L53 PolarHBondContact O-N 3.18Å; L53-N57 PolarHBondContact O-N 3.06Å; L53-N57 VanDerWaalsContact O-N 3.13Å; L53-N57 PolarHBondContact O-ND2 2.99Å
54Q34.9Very low32.6Very low144 Ų144129.9 Ų129.967%0.67364%0.641SS**Hα-helixtrans-67.8-40176.2-159.3175.540.600112D50 M52 N57 L58D50-Q54 WeakPolarHBondContact O-CB 3.14Å; D50-Q54 PolarHBondContact O-N 3.25Å; M52-Q54 VanDerWaalsContact C-N 3.29Å; M52-Q54 PolarHBondContact O-N 3.16Å; Q54-N57 PolarHBondContact O-N 3Å; Q54-L58 PolarHBondContact O-N 3.05Å
55K36.8Very low33Very low110 Ų110124.2 Ų124.248%0.47862%0.624SS.*Hα-helixtrans-70.5-40175.9-70.2174.3-177.1177.20112.8S51 M52 N57 L58 L59S51-K55 WeakPolarHBondContact O-CG 3.18Å; S51-K55 PolarHBondContact O-N 3.23Å; M52-K55 PolarHBondContact O-N 2.68Å; K55-N57 VanDerWaalsContact C-N 3.3Å; K55-N57 PolarHBondContact O-N 3.12Å; K55-L58 WeakPolarHBondContact O-CB 3.46Å; K55-L58 PolarHBondContact O-N 3.02Å; K55-L58 VanDerWaalsContact O-N 3.08Å; K55-L59 PolarHBondContact O-N 3.35Å
56M35.4Very low33.4Very low91 Ų91117.7 Ų117.745%0.44860%0.6SS.*Hα-helixtrans-61.8-37173.4-68.4178.776.900112.2M52 L58 L59 R60M52-M56 HydrophobicContact CE-SD 4.25Å; M52-M56 HydrophobicContact CG-SD 4.21Å; M52-M56 WeakPolarHBondContact O-CG 3.34Å; M52-M56 PolarHBondContact O-N 2.94Å; M56-L58 VanDerWaalsContact C-N 3.29Å; M56-L58 PolarHBondContact O-N 2.93Å; M56-L59 PolarHBondContact O-N 3.11Å; M56-R60 PolarHBondContact O-N 3.35Å; M56-R60 VanDerWaalsContact O-N 3.11Å
57N33.8Very low33.7Very low68 Ų68117.9 Ų117.936%0.36459%0.585SS.*Hα-helixtrans-72.4-16.8174.6-82.1-78000114.2L53 Q54 K55 R60L53-N57 PolarHBondContact O-N 3.06Å; L53-N57 VanDerWaalsContact O-N 3.13Å; L53-N57 PolarHBondContact O-ND2 2.99Å; Q54-N57 PolarHBondContact O-N 3Å; K55-N57 VanDerWaalsContact C-N 3.3Å; K55-N57 PolarHBondContact O-N 3.12Å; N57-R60 PolarHBondContact OD1-NH1 3.42Å
58L35.8Very low33.5Very low108 Ų108112.8 Ų112.857%0.56555%0.554SS**Hα-helixtrans-74.7-45.8167.9-81.2162.4000111.3Q54 K55 M56 R60 R61Q54-L58 PolarHBondContact O-N 3.05Å; K55-L58 WeakPolarHBondContact O-CB 3.46Å; K55-L58 PolarHBondContact O-N 3.02Å; K55-L58 VanDerWaalsContact O-N 3.08Å; M56-L58 VanDerWaalsContact C-N 3.29Å; M56-L58 PolarHBondContact O-N 2.93Å; L58-R60 VanDerWaalsContact C-N 3.28Å; L58-R60 PolarHBondContact O-N 3.22Å; L58-R61 WeakPolarHBondContact O-CB 3.4Å; L58-R61 PolarHBondContact O-N 3.08Å
59L38.1Very low33.6Very low106 Ų106105.4 Ų105.456%0.55552%0.524SS*.Hα-helixtrans-58.3-40.9175.9-65.8172.6000111.7K55 M56 R61 Q62K55-L59 PolarHBondContact O-N 3.35Å; M56-L59 PolarHBondContact O-N 3.11Å; L59-R61 PolarHBondContact O-N 3.26Å; L59-Q62 PolarHBondContact O-N 3.39Å; L59-Q62 VanDerWaalsContact O-N 3.09Å
60R36.8Very low33.6Very low196 Ų196104.6 Ų104.674%0.7451%0.507SS*.THydrogen-bonded Turntrans-52.1-27.2173.1179.2-179.9170.6-163.3-0.7114.3M56 N57 L58M56-R60 PolarHBondContact O-N 3.35Å; M56-R60 VanDerWaalsContact O-N 3.11Å; N57-R60 PolarHBondContact OD1-NH1 3.42Å; L58-R60 VanDerWaalsContact C-N 3.28Å; L58-R60 PolarHBondContact O-N 3.22Å
61R33.3Very low33.7Very low212 Ų212103.6 Ų103.680%0.850%0.495SS*.THydrogen-bonded Turntrans-81.9-12.4-178.9-72.5-174.1173.4-166.3-1.3114.7L58 L59L58-R61 WeakPolarHBondContact O-CB 3.4Å; L58-R61 PolarHBondContact O-N 3.08Å; L59-R61 PolarHBondContact O-N 3.26Å
62Q34.3Very low33.6Very low122 Ų122103.5 Ų103.557%0.5749%0.489SS*.SBendtrans-106.2-5-170.6-66.1-165.4-8.900115.4L59 R64L59-Q62 PolarHBondContact O-N 3.39Å; L59-Q62 VanDerWaalsContact O-N 3.09Å; Q62-R64 VanDerWaalsContact C-N 3.32Å; Q62-R64 PolarHBondContact O-N 3.45Å
63T29.5Very low33.5Very low130 Ų130102.5 Ų102.580%0.79849%0.486SS*.  trans43.452.4173.555.60000114
64R33.1Very low33.4Very low158 Ų158105.1 Ų105.160%0.59650%0.501SS*.  trans-104.4136.2172.5-65-171.1175.9-163.9-4.4109.7Q62 C116Q62-R64 VanDerWaalsContact C-N 3.32Å; Q62-R64 PolarHBondContact O-N 3.45Å; R64-C116 PolarHBondContact NH1-SG 2.88Å
65F30.9Very low33.2Very low133 Ų133103.3 Ų103.358%0.58350%0.495SS*.  trans-73138.6166.9-54.3-86.9000108.1V83F65-V83 HydrophobicContact CD1-CG2 4.38Å; F65-V83 HydrophobicContact CE1-CG2 4.25Å
66C33.2Very low33.1Very low44 Ų44103.9 Ų103.930%0.29750%0.499SS..BIsolated β-bridgetrans-116.7135.5165.7-62.10000107.6V82 M109C66-V82 PolarHBondContact O-N 3.32Å; C66-M109 HydrophobicContact CB-CE 3.56Å
67D29.6Very low32.9Very low71 Ų71102 Ų10238%0.3849%0.493SS..  trans-75.9147.5162.9-64-70000108.6K81D67-K81 WeakPolarHBondContact OD1-CG 3.34Å; D67-K81 PolarHBondContact OD1-N 3.32Å
68V30.7Very low32.9Very low31 Ų31103.7 Ų103.719%0.18851%0.508CS..  trans-136.696.5-170.3-177.40000108.7V70 V82 M109V68-V70 HydrophobicContact CG1-CG2 4.33Å; V68-V82 HydrophobicContact CB-CG2 4.33Å; V68-V82 HydrophobicContact CG2-CB 4.2Å; V68-V82 HydrophobicContact CG2-CG2 4.31Å; V68-M109 HydrophobicContact CG2-CE 4.3Å
69T32.4Very low32.7Very low29 Ų2999.6 Ų99.618%0.17849%0.492CS..  trans-83.6115.5176.6-20.50000109T110T69-T110 PolarHBondContact OG1-OG1 3.43Å
70V31.1Very low32.4Very low41 Ų41102.5 Ų102.525%0.24850%0.502CS..EExtended strand (participates in β ladder)trans-97.8119.5175.5-176.60000107.9V68 I72V68-V70 HydrophobicContact CG1-CG2 4.33Å; V70-I72 HydrophobicContact CG1-CD1 4.48Å; V70-I72 HydrophobicContact CG1-CG1 4.14Å
71R31.9Very low31.9Very low94 Ų9499.7 Ų99.736%0.35550%0.495SS..EExtended strand (participates in β ladder)trans-100.9131.2171.4-70.1-175.472.3145.8-5.2109.2L75 E76R71-L75 WeakPolarHBondContact CA-O 3.43Å; R71-E76 HydrophobicContact CG-CG 3.6Å; R71-E76 IonicContact CZ-OE1 3.48Å; R71-E76 IonicContact NE-OE1 3.76Å; R71-E76 IonicContact NH1-OE1 2.68Å; R71-E76 PolarHBondContact NH1-OE1 3.21Å; R71-E76 IonicContact NH1-OE2 3.85Å
72I31.6Very low31.7Very low63 Ų6390.8 Ų90.832%0.32346%0.464SS..EExtended strand (participates in β ladder)trans-128.8115.2172.3-55.5177.5000106.3V70 D74 L75V70-I72 HydrophobicContact CG1-CD1 4.48Å; V70-I72 HydrophobicContact CG1-CG1 4.14Å; I72-D74 PolarHBondContact O-N 3.19Å; I72-L75 PolarHBondContact N-O 3.3Å; I72-L75 PolarHBondContact O-N 2.95Å
73N34Very low31.3Very low110 Ų11090.1 Ų90.159%0.58847%0.468SS*.THydrogen-bonded Turntrans40.966.5172.1-56.8-12.1000112.7L75N73-L75 VanDerWaalsContact C-N 3.27Å; N73-L75 PolarHBondContact O-N 3.35Å
74D34.7Very low31.3Very low147 Ų14790.7 Ų90.779%0.78647%0.466SS*.THydrogen-bonded Turntrans68-2.8179.6-58.2-47.8000118.5I72I72-D74 PolarHBondContact O-N 3.19Å
75L30.8Very low30.9Very low106 Ų10686.6 Ų86.656%0.55547%0.466SS*.EExtended strand (participates in β ladder)trans-89.3125.6171-139.576.4000112.1R71 I72 N73R71-L75 WeakPolarHBondContact CA-O 3.43Å; I72-L75 PolarHBondContact N-O 3.3Å; I72-L75 PolarHBondContact O-N 2.95Å; N73-L75 VanDerWaalsContact C-N 3.27Å; N73-L75 PolarHBondContact O-N 3.35Å
76E33.9Very low30.8Very low121 Ų12184.5 Ų84.557%0.56547%0.473SS*.EExtended strand (participates in β ladder)trans-90.9124.3168.2-85.9-174.8150.800111.3R71R71-E76 HydrophobicContact CG-CG 3.6Å; R71-E76 IonicContact CZ-OE1 3.48Å; R71-E76 IonicContact NE-OE1 3.76Å; R71-E76 IonicContact NH1-OE1 2.68Å; R71-E76 PolarHBondContact NH1-OE1 3.21Å; R71-E76 IonicContact NH1-OE2 3.85Å
77V32.5Very low30.5Very low53 Ų5386.1 Ų86.132%0.32150%0.497SS..EExtended strand (participates in β ladder)trans-115109.2170.6-174.40000109G79V77-G79 PolarHBondContact O-N 3.04Å
78P33.4Very low30.5Very low103 Ų10386.2 Ų86.267%0.66950%0.503SS*.  trans-76.987.6-175.729.2-34.2000112.7
79G30.9Very low30.4Very low22 Ų2290.2 Ų90.223%0.22753%0.53CS..  trans-79.3119.6178.500000114.2V77V77-G79 PolarHBondContact O-N 3.04Å
80H31Very low30.2Very low166 Ų16696.4 Ų96.477%0.76956%0.555SS**  trans-75.8137.7176.8-78.538.6000113.3
81K26.8Very low30.2Very low137 Ų13799.8 Ų99.860%0.59657%0.57SS**  trans29.987.5157.3-62.8-173.91801700117.1D67D67-K81 WeakPolarHBondContact OD1-CG 3.34Å; D67-K81 PolarHBondContact OD1-N 3.32Å
82V30.4Very low30Very low26 Ų26104.3 Ų104.316%0.15859%0.588CS.*BIsolated β-bridgetrans-94.1136.9176.1177.30000111.7C66 V68 L84 M147C66-V82 PolarHBondContact O-N 3.32Å; V68-V82 HydrophobicContact CB-CG2 4.33Å; V68-V82 HydrophobicContact CG2-CB 4.2Å; V68-V82 HydrophobicContact CG2-CG2 4.31Å; V82-L84 HydrophobicContact CG1-CD2 4.33Å; V82-M147 HydrophobicContact CB-CE 4.35Å; V82-M147 HydrophobicContact CG1-CE 3.53Å; V82-M147 HydrophobicContact CG1-SD 3.88Å; V82-M147 HydrophobicContact CG2-CE 3.86Å
83V26Very low29.8Very low107 Ų107107.8 Ų107.865%0.64861%0.607SS**  trans-99.3105172.6179.50000109.8F65 A85F65-V83 HydrophobicContact CD1-CG2 4.38Å; F65-V83 HydrophobicContact CE1-CG2 4.25Å; V83-A85 PolarHBondContact O-N 2.98Å
84L29.3Very low29.6Very low143 Ų143109.4 Ų109.475%0.74961%0.611SS**  trans-73.292-177-69.9172.8000113V82 A86V82-L84 HydrophobicContact CG1-CD2 4.33Å; L84-A86 PolarHBondContact O-N 3.1Å
85A24.1Very low29.3Very low72 Ų72108.2 Ų108.260%0.59560%0.599SS**  trans-89.160.7176.700000113.3V83 G87V83-A85 PolarHBondContact O-N 2.98Å; A85-G87 PolarHBondContact O-N 3.03Å
86A29.2Very low29Very low89 Ų89113.4 Ų113.474%0.73662%0.617SS**  trans-73.3117.717700000111.9L84L84-A86 PolarHBondContact O-N 3.1Å
87G27.1Very low28.7Very low78 Ų78113.6 Ų113.680%0.80462%0.622SS**  trans-174.944.4-172.600000117.3A85A85-G87 PolarHBondContact O-N 3.03Å
88S28.7Very low28.3Very low72 Ų72119.4 Ų119.450%0.50365%0.645SS.*  trans-126.4119.4173.5-170.90000111.6F90S88-F90 PolarHBondContact O-N 3Å; S88-F90 WeakPolarHBondContact OG-CB 3.41Å; S88-F90 PolarHBondContact OG-N 3.05Å
89P29.7Very low27.9Very low116 Ų116120.5 Ų120.575%0.75365%0.645SS**G310 helixtrans-64.1-18.2171.8-22.234.3000113.8L91 R92P89-L91 PolarHBondContact O-N 3.4Å; P89-L91 VanDerWaalsContact O-N 3.13Å; P89-R92 WeakPolarHBondContact O-CB 3.42Å; P89-R92 PolarHBondContact O-N 2.87Å
90F27.6Very low28.2Very low159 Ų159124.2 Ų124.270%0.69767%0.668SS**G310 helixtrans-63.1-18.4-172.6-140.4-89.6000114.1S88 R92S88-F90 PolarHBondContact O-N 3Å; S88-F90 WeakPolarHBondContact OG-CB 3.41Å; S88-F90 PolarHBondContact OG-N 3.05Å; F90-R92 VanDerWaalsContact C-N 3.3Å; F90-R92 PolarHBondContact O-N 3.5Å
91L30.3Very low27.9Very low111 Ų111121.6 Ų121.658%0.58167%0.668SS**G310 helixtrans-81.7-2.5179.1-65.6173.1000113.9P89 F95P89-L91 PolarHBondContact O-N 3.4Å; P89-L91 VanDerWaalsContact O-N 3.13Å; L91-F95 HydrophobicContact CD2-CE2 4.31Å
92R28.9Very low28.1Very low190 Ų190121.1 Ų121.172%0.71768%0.677SS**G310 helixtrans-76.6-29.3-175.5-176.2172-86.3-133.9-9.9113.8P89 F90P89-R92 WeakPolarHBondContact O-CB 3.42Å; P89-R92 PolarHBondContact O-N 2.87Å; F90-R92 VanDerWaalsContact C-N 3.3Å; F90-R92 PolarHBondContact O-N 3.5Å
93D26.6Very low28Very low135 Ų135129.1 Ų129.172%0.72270%0.704SS**SBendtrans-113.89.6-158-55.1-28.4000114.6
94Q30.1Very low28Very low145 Ų145131 Ų13168%0.67871%0.706SS**SBendtrans-119.6-12.1-178.3-73.9-168.8-46.300116.1F96Q94-F96 PolarHBondContact O-N 2.86Å
95F27.7Very low27.9Very low121 Ų121126.7 Ų126.753%0.53169%0.686SS.*  trans-99.962.2-175.7-68.5-75.1000113.5L91L91-F95 HydrophobicContact CD2-CE2 4.31Å
96F25.6Very low28.1Very low215 Ų215128.6 Ų128.694%0.94368%0.682SS**  trans-106.589.8152-89.1-83.2000107.9Q94Q94-F96 PolarHBondContact O-N 2.86Å
97L27.1Very low28.1Very low126 Ų126127.1 Ų127.166%0.6666%0.661SS**  trans-112.4137.8169.5-79.1171.4000109.5
98Q24.8Very low28.2Very low174 Ų174125 Ų12581%0.81363%0.634SS**  trans-124.1138.9-174.1-178.7176.7-17.400109.3
99D25Very low28.1Very low126 Ų126124.8 Ų124.867%0.67463%0.626SS**  trans63.195.7172.2-76.7-58.6000119.9
100S36.6Very low28Very low100 Ų100123.3 Ų123.370%0.69962%0.615SS**  44.9105.6122.665.50000121
101S25.4Very low28.2Very low111 Ų111122 Ų12278%0.77661%0.611SS**  -170.799.4124.229.20000114.4
102T30.7Very low28.1Very low128 Ų128125.6 Ų125.679%0.78563%0.625SS**  trans45.4109.1150.257.80000120.8
103R26.9Very low28Very low193 Ų193120.9 Ų120.973%0.72863%0.627SS**  -176.8122.7120.6-96.9160.2-169.6-177.34.2108.9E132R103-E132 IonicContact NH1-OE2 3.02Å; R103-E132 PolarHBondContact NH1-OE2 3.36Å
104E25.8Very low28.2Very low147 Ų147123.6 Ų123.669%0.68764%0.635SS**  trans-82.2139.9-176.3-64.3-175.3151.600112.2
105V27.3Very low28.1Very low52 Ų52123.1 Ų123.132%0.31564%0.642SS.*  trans-127.7118.4167.5179.80000108.5
106Q29.7Very low28Very low112 Ų112119.7 Ų119.752%0.52363%0.632SS.*EExtended strand (participates in β ladder)trans-104.8106-171.3-168.8-179.512.900111.5
107I28.6Very low28.2Very low58 Ų58119.1 Ų119.130%0.29763%0.632SS.*EExtended strand (participates in β ladder)trans-93.1124.6175-55.2176.2000109.2
108S28.8Very low28.2Very low33 Ų33124.8 Ų124.823%0.23165%0.645CS.*  trans-121.8136.8178.457.30000111.1
109M26.8Very low28.3Very low69 Ų69123 Ų12334%0.3464%0.64SS.*  trans-106.2110.8177.3-65.9-176.46600109.5C66 V68C66-M109 HydrophobicContact CB-CE 3.56Å; V68-M109 HydrophobicContact CG2-CE 4.3Å
110T28.6Very low28.3Very low85 Ų85124.3 Ų124.352%0.52165%0.646SS.*  trans-97.1138.8172.347.40000110.3T69T69-T110 PolarHBondContact OG1-OG1 3.43Å
111Q31.8Very low27.9Very low130 Ų130128.3 Ų128.361%0.60766%0.659SS**  trans-125115.1174.6172.616393.900108.4
112E26.3Very low28.1Very low188 Ų188125.9 Ų125.988%0.87964%0.642SS**  trans-78.7173.7170.6-62.6-164.5153.200111.5
113A28.6Very low27.9Very low91 Ų91125.2 Ų125.275%0.75264%0.641SS**  -100.4178.9-118.600000118.6
114E29.9Very low28Very low191 Ų191122 Ų12289%0.89363%0.63SS**SBendtrans90.36.3142.5-134.4165-129.300121.3
115V27.6Very low28Very low136 Ų136119.2 Ų119.282%0.82462%0.623SS**SBendtrans-120.9-18.1167.8-171.40000114.2
116C26.6Very low28.2Very low48 Ų48119 Ų11932%0.32463%0.631SS.*  trans-943.9-168.9-70.10000116.5R64 R118 L119R64-C116 PolarHBondContact NH1-SG 2.88Å; C116-R118 PolarHBondContact O-N 3Å; C116-L119 PolarHBondContact O-N 3.26Å
117Q28.7Very low28.1Very low203 Ų203117.7 Ų117.795%0.94963%0.631SS**THydrogen-bonded Turntrans-65.42.8-170-146.6-173.836.100116
118R28.3Very low28.2Very low246 Ų246118.9 Ų118.993%0.92864%0.638SS**THydrogen-bonded Turntrans-119.4-0.1173.1-79.4-175.6171.2165.5-1115.1C116C116-R118 PolarHBondContact O-N 3Å
119L25.3Very low28.3Very low136 Ų136123.9 Ų123.971%0.71266%0.657SS**SBendtrans-137104.8-178.1-77.8172.2000112.5C116C116-L119 PolarHBondContact O-N 3.26Å
120L26.3Very low28.6Very low153 Ų153122.6 Ų122.680%0.80165%0.652SS**  trans69.8101.5161.4-58.7166.3000117.1S122L120-S122 PolarHBondContact O-N 3.47Å
121L28Very low28.8Very low185 Ų185122 Ų12297%0.96965%0.649SS**  trans-68.2107.1154.1-77.977.8000109
122S28.7Very low28.9Very low59 Ų59122.5 Ų122.541%0.41365%0.652SS.*  trans-161.388157.759.30000110.6L120 Y124L120-S122 PolarHBondContact O-N 3.47Å; S122-Y124 WeakPolarHBondContact O-CD2 3.47Å; S122-Y124 PolarHBondContact O-N 2.78Å; S122-Y124 WeakPolarHBondContact OG-CE2 3.05Å
123C26.9Very low29.2Very low115 Ų115120.9 Ų120.978%0.77765%0.648SS**  trans-68.8111.2163.3-57.40000107.6T125C123-T125 PolarHBondContact O-N 3.29Å; C123-T125 VanDerWaalsContact O-N 3.16Å
124Y28.9Very low29.5Very low126 Ų126119.2 Ų119.249%0.49463%0.625SS.*  trans-84.587.3178.5-75.1-83.9000110.1S122S122-Y124 WeakPolarHBondContact O-CD2 3.47Å; S122-Y124 PolarHBondContact O-N 2.78Å; S122-Y124 WeakPolarHBondContact OG-CE2 3.05Å
125T26.6Very low30.1Very low88 Ų88113.1 Ų113.154%0.5460%0.598SS.*  trans-85122.9162.951.10000109.2C123C123-T125 PolarHBondContact O-N 3.29Å; C123-T125 VanDerWaalsContact O-N 3.16Å
126G31.1Very low30.5Very low47 Ų47110.8 Ų110.849%0.48558%0.584SS.*EExtended strand (participates in β ladder)trans-129.1119.6173.200000109.7
127T27.9Very low31Very low85 Ų85113.5 Ų113.552%0.52160%0.595SS.*EExtended strand (participates in β ladder)trans-76.3137.4165.442.90000108.9
128L31.5Very low31.6Very low83 Ų83110.1 Ų110.144%0.43558%0.575SS.*  trans-124.996.4172.9-174.870.2000107.3L130 Y138L128-L130 HydrophobicContact CD2-CD1 3.93Å; L128-L130 HydrophobicContact CD2-CG 4.41Å; L128-L130 HydrophobicContact CG-CD1 4.26Å; L128-L130 HydrophobicContact CG-CG 4.2Å; L128-L130 PolarHBondContact O-N 3.47Å; L128-Y138 HydrophobicContact CD2-CD2 4.42Å; L128-Y138 HydrophobicContact CD2-CE2 3.85Å
129E30Very low32.2Very low137 Ų13799.7 Ų99.764%0.6454%0.537SS*.  trans-75.4113.9176.1-69.4167.4-130.900108.8
130L32.8Very low32.7Very low42 Ų4296.4 Ų96.422%0.2252%0.523CS..  trans-131.2137.3172.2-72.5173.3000108.6L128 E134 Y138L128-L130 HydrophobicContact CD2-CD1 3.93Å; L128-L130 HydrophobicContact CD2-CG 4.41Å; L128-L130 HydrophobicContact CG-CD1 4.26Å; L128-L130 HydrophobicContact CG-CG 4.2Å; L128-L130 PolarHBondContact O-N 3.47Å; L130-E134 HydrophobicContact CD2-CB 4.43Å; L130-Y138 HydrophobicContact CD1-CD2 3.87Å; L130-Y138 HydrophobicContact CD1-CG 4Å
131P32.8Very low33.1Very low73 Ų7392.9 Ų92.947%0.47451%0.507SS..  trans-63.8153.417227.9-33.6000110.7L133 E134 L135P131-L133 PolarHBondContact O-N 3.36Å; P131-E134 HydrophobicContact CG-CB 4Å; P131-E134 HydrophobicContact CG-CG 3.83Å; P131-E134 PolarHBondContact O-N 2.86Å; P131-L135 PolarHBondContact O-N 3.13Å
132E34.3Very low33.6Very low141 Ų14185.1 Ų85.166%0.65947%0.47SS*.Hα-helixtrans-56.3-29.4-171.1-158.2160.6172.400113.1R103R103-E132 IonicContact NH1-OE2 3.02Å; R103-E132 PolarHBondContact NH1-OE2 3.36Å
133L33.7Very low33.9Very low153 Ų15384.7 Ų84.780%0.80147%0.467SS*.Hα-helixtrans-73.9-30175.9-145.174.5000113.9P131P131-L133 PolarHBondContact O-N 3.36Å
134E34.3Very low34.1Very low57 Ų5787.6 Ų87.627%0.26647%0.467SS..Hα-helixtrans-87.6-23.2179.8-72.4-174.2176.900113L130 P131 V136 N137 Y138L130-E134 HydrophobicContact CD2-CB 4.43Å; P131-E134 HydrophobicContact CG-CB 4Å; P131-E134 HydrophobicContact CG-CG 3.83Å; P131-E134 PolarHBondContact O-N 2.86Å; E134-V136 PolarHBondContact O-N 3.03Å; E134-N137 WeakPolarHBondContact O-CB 3.44Å; E134-N137 PolarHBondContact O-N 3.37Å; E134-Y138 PolarHBondContact O-N 3.44Å
135L41.4Very low34.4Very low62 Ų6286.6 Ų86.633%0.32547%0.469SS..Hα-helixtrans-57.8-36.6173.3-176.862.1000111.8P131 Y138 L139P131-L135 PolarHBondContact O-N 3.13Å; L135-Y138 PolarHBondContact O-N 3Å; L135-L139 HydrophobicContact CG-CD1 4.22Å; L135-L139 WeakPolarHBondContact O-CB 3.19Å; L135-L139 WeakPolarHBondContact O-CG 3.39Å; L135-L139 PolarHBondContact O-N 3.26Å
136V36.4Very low35Very low87 Ų8791.2 Ų91.253%0.52749%0.485SS..Hα-helixtrans-64.6-42174.4-178.30000111.3E134 L139 T140E134-V136 PolarHBondContact O-N 3.03Å; V136-L139 PolarHBondContact O-N 3.34Å; V136-T140 WeakPolarHBondContact O-CB 3.44Å; V136-T140 PolarHBondContact O-N 3.43Å; V136-T140 PolarHBondContact O-OG1 3.03Å
137N37.4Very low35.4Very low105 Ų10591.4 Ų91.456%0.56147%0.474SS*.Hα-helixtrans-65.2-41174.9-70.4-32.1000111.3E134 T140 V141E134-N137 WeakPolarHBondContact O-CB 3.44Å; E134-N137 PolarHBondContact O-N 3.37Å; N137-T140 WeakPolarHBondContact O-CB 3.43Å; N137-T140 PolarHBondContact O-N 3.36Å; N137-V141 WeakPolarHBondContact O-CG2 3.38Å; N137-V141 PolarHBondContact O-N 3.09Å
138Y41Very low35.6Very low133 Ų13389.1 Ų89.152%0.52247%0.467SS..Hα-helixtrans-63.6-45.5176.7-168.4-87000112.2L128 L130 E134 L135 T140 V141 A142L128-Y138 HydrophobicContact CD2-CD2 4.42Å; L128-Y138 HydrophobicContact CD2-CE2 3.85Å; L130-Y138 HydrophobicContact CD1-CD2 3.87Å; L130-Y138 HydrophobicContact CD1-CG 4Å; E134-Y138 PolarHBondContact O-N 3.44Å; L135-Y138 PolarHBondContact O-N 3Å; Y138-T140 VanDerWaalsContact C-N 3.29Å; Y138-T140 PolarHBondContact O-N 3.35Å; Y138-V141 PolarHBondContact O-N 3.27Å; Y138-A142 PolarHBondContact O-N 3.05Å
139L41.5Very low35.8Very low27 Ų2792 Ų9214%0.14148%0.478CS..Hα-helixtrans-63.4-34.7174-72.8169.3000112.2L135 V136 A142 S143 V151 C154 L158L135-L139 HydrophobicContact CG-CD1 4.22Å; L135-L139 WeakPolarHBondContact O-CB 3.19Å; L135-L139 WeakPolarHBondContact O-CG 3.39Å; L135-L139 PolarHBondContact O-N 3.26Å; V136-L139 PolarHBondContact O-N 3.34Å; L139-A142 WeakPolarHBondContact O-CB 3.45Å; L139-A142 PolarHBondContact O-N 3.29Å; L139-S143 PolarHBondContact O-N 3.38Å; L139-V151 HydrophobicContact CB-CG1 4.41Å; L139-V151 HydrophobicContact CD2-CG2 4.44Å; L139-V151 WeakPolarHBondContact O-CG2 3.37Å; L139-C154 HydrophobicContact CD2-CB 4.21Å; L139-L158 HydrophobicContact CD1-CD1 4.1Å
140T35.7Very low36.2Very low67 Ų6788.1 Ų88.141%0.41146%0.463SS..Hα-helixtrans-68.3-39.9173.9-56.90000111.6V136 N137 Y138 A142 S143 F144V136-T140 WeakPolarHBondContact O-CB 3.44Å; V136-T140 PolarHBondContact O-N 3.43Å; V136-T140 PolarHBondContact O-OG1 3.03Å; N137-T140 WeakPolarHBondContact O-CB 3.43Å; N137-T140 PolarHBondContact O-N 3.36Å; Y138-T140 VanDerWaalsContact C-N 3.29Å; Y138-T140 PolarHBondContact O-N 3.35Å; T140-A142 VanDerWaalsContact C-N 3.3Å; T140-A142 PolarHBondContact O-N 3.27Å; T140-S143 PolarHBondContact O-N 3.46Å; T140-S143 PolarHBondContact O-OG 3.29Å; T140-F144 WeakPolarHBondContact O-CD2 3.42Å; T140-F144 PolarHBondContact O-N 3.38Å
141V35.2Very low36.4Very low78 Ų7887 Ų8747%0.47346%0.458SS..Hα-helixtrans-66.3-32.9172171.80000111.4N137 Y138N137-V141 WeakPolarHBondContact O-CG2 3.38Å; N137-V141 PolarHBondContact O-N 3.09Å; Y138-V141 PolarHBondContact O-N 3.27Å
142A37Very low36.7Very low22 Ų2288.6 Ų88.618%0.18246%0.46CS..Hα-helixtrans-68.3-40.717500000112.9Y138 L139 T140 F144 L145 M147 V151Y138-A142 PolarHBondContact O-N 3.05Å; L139-A142 WeakPolarHBondContact O-CB 3.45Å; L139-A142 PolarHBondContact O-N 3.29Å; T140-A142 VanDerWaalsContact C-N 3.3Å; T140-A142 PolarHBondContact O-N 3.27Å; A142-F144 VanDerWaalsContact C-N 3.29Å; A142-F144 PolarHBondContact O-N 3.46Å; A142-L145 WeakPolarHBondContact O-CA 3.26Å; A142-L145 WeakPolarHBondContact O-CB 3.41Å; A142-L145 PolarHBondContact O-N 3.14Å; A142-M147 WeakPolarHBondContact O-CB 3.43Å; A142-V151 HydrophobicContact CB-CG2 4.01Å
143S35Very low37Very low50 Ų5086.4 Ų86.435%0.3545%0.449SS..Hα-helixtrans-64.7-33.1177.762.90000112.3L139 T140 L145 Q146L139-S143 PolarHBondContact O-N 3.38Å; T140-S143 PolarHBondContact O-N 3.46Å; T140-S143 PolarHBondContact O-OG 3.29Å; S143-L145 PolarHBondContact O-N 2.91Å; S143-Q146 PolarHBondContact O-N 3.47Å
144F31.5Very low37.3Very low176 Ų17680.3 Ų80.377%0.77242%0.419SS*.THydrogen-bonded Turntrans-60.7-18.1169.4-92.7-75.3000114.6T140 A142T140-F144 WeakPolarHBondContact O-CD2 3.42Å; T140-F144 PolarHBondContact O-N 3.38Å; A142-F144 VanDerWaalsContact C-N 3.29Å; A142-F144 PolarHBondContact O-N 3.46Å
145L36.3Very low37.6Very low105 Ų10580.8 Ų80.855%0.5543%0.426SS..THydrogen-bonded Turntrans-96.720.3177.7-64.9171.6000113.4A142 S143 M147A142-L145 WeakPolarHBondContact O-CA 3.26Å; A142-L145 WeakPolarHBondContact O-CB 3.41Å; A142-L145 PolarHBondContact O-N 3.14Å; S143-L145 PolarHBondContact O-N 2.91Å; L145-M147 PolarHBondContact O-N 3.42Å
146Q37.7Very low37.6Very low185 Ų18582.7 Ų82.786%0.86443%0.433SS*.THydrogen-bonded Turntrans64.918.2-176.3-52.2-166.2-78.600115.2S143 G148S143-Q146 PolarHBondContact O-N 3.47Å; Q146-G148 PolarHBondContact O-N 2.87Å
147M39.2Very low37.8Very low51 Ų5180.1 Ų80.125%0.25142%0.421SS..  trans-78.930.2173.6-64-67-67.600113.4V82 A142 L145 H149 V150 V151V82-M147 HydrophobicContact CB-CE 4.35Å; V82-M147 HydrophobicContact CG1-CE 3.53Å; V82-M147 HydrophobicContact CG1-SD 3.88Å; V82-M147 HydrophobicContact CG2-CE 3.86Å; A142-M147 WeakPolarHBondContact O-CB 3.43Å; L145-M147 PolarHBondContact O-N 3.42Å; M147-H149 PolarHBondContact O-N 3.32Å; M147-V150 HydrophobicContact CE-CB 4.17Å; M147-V150 HydrophobicContact CE-CG1 4.49Å; M147-V150 HydrophobicContact CE-CG2 3.81Å; M147-V150 PolarHBondContact O-N 2.92Å; M147-V151 PolarHBondContact O-N 2.91Å; M147-V151 VanDerWaalsContact O-N 3.09Å
148G32.9Very low37.9Very low37 Ų3777.9 Ų77.938%0.38141%0.409SS..Hα-helixtrans-53.4-49.2-166.400000114Q146 V150 V151 E152Q146-G148 PolarHBondContact O-N 2.87Å; G148-V150 VanDerWaalsContact C-N 3.28Å; G148-V150 PolarHBondContact O-N 3.44Å; G148-V151 PolarHBondContact O-N 2.92Å; G148-E152 WeakPolarHBondContact O-CB 3.44Å; G148-E152 PolarHBondContact O-N 3.5Å
149H35.8Very low37.8Very low144 Ų14477.5 Ų77.567%0.66741%0.413SS*.Hα-helixtrans-60.8-33.2179.7-119.6-80.4000113.9M147 Q153M147-H149 PolarHBondContact O-N 3.32Å; H149-Q153 WeakPolarHBondContact O-CG 3.42Å; H149-Q153 PolarHBondContact O-N 3.02Å; H149-Q153 VanDerWaalsContact O-N 3.14Å
150V37.3Very low37.7Very low55 Ų5583.8 Ų83.833%0.33344%0.44SS..Hα-helixtrans-76.9-43.7179.2178.30000110M147 G148 E152 Q153 C154M147-V150 HydrophobicContact CE-CB 4.17Å; M147-V150 HydrophobicContact CE-CG1 4.49Å; M147-V150 HydrophobicContact CE-CG2 3.81Å; M147-V150 PolarHBondContact O-N 2.92Å; G148-V150 VanDerWaalsContact C-N 3.28Å; G148-V150 PolarHBondContact O-N 3.44Å; V150-E152 VanDerWaalsContact C-N 3.34Å; V150-E152 PolarHBondContact O-N 3.3Å; V150-Q153 PolarHBondContact O-N 3.41Å; V150-C154 WeakPolarHBondContact O-CB 3.48Å; V150-C154 PolarHBondContact O-N 3.41Å; V150-C154 PolarHBondContact O-SG 3.39Å; V150-C154 VanDerWaalsContact O-SG 3.32Å
151V37.7Very low37.7Very low19 Ų1987.3 Ų87.312%0.11545%0.45CS..Hα-helixtrans-62.8-43.6175.3177.40000110.5L139 A142 M147 G148 Q153 C154 T155L139-V151 HydrophobicContact CB-CG1 4.41Å; L139-V151 HydrophobicContact CD2-CG2 4.44Å; L139-V151 WeakPolarHBondContact O-CG2 3.37Å; A142-V151 HydrophobicContact CB-CG2 4.01Å; M147-V151 PolarHBondContact O-N 2.91Å; M147-V151 VanDerWaalsContact O-N 3.09Å; G148-V151 PolarHBondContact O-N 2.92Å; V151-Q153 PolarHBondContact O-N 2.84Å; V151-C154 PolarHBondContact O-N 3.41Å; V151-T155 WeakPolarHBondContact O-CB 3.38Å; V151-T155 PolarHBondContact O-N 3.22Å; V151-T155 PolarHBondContact O-OG1 2.82Å; V151-T155 VanDerWaalsContact O-OG1 3.05Å
152E38.4Very low37.7Very low107 Ų10789.4 Ų89.450%0.546%0.457SS..Hα-helixtrans-59.7-45.5176.6-175.7172.2-175.500112.4G148 V150 T155 Q156G148-E152 WeakPolarHBondContact O-CB 3.44Å; G148-E152 PolarHBondContact O-N 3.5Å; V150-E152 VanDerWaalsContact C-N 3.34Å; V150-E152 PolarHBondContact O-N 3.3Å; E152-T155 PolarHBondContact O-N 3.26Å; E152-Q156 WeakPolarHBondContact O-CB 3.49Å; E152-Q156 VanDerWaalsContact O-CG 3.26Å; E152-Q156 WeakPolarHBondContact O-CG 3.23Å; E152-Q156 PolarHBondContact O-N 3.27Å; E152-Q156 PolarHBondContact OE1-NE2 3.42Å
153Q40.9Very low37.4Very low94 Ų9495.2 Ų95.244%0.43948%0.48SS..Hα-helixtrans-67.2-39.5175.9-74.9-176-8.900112.9H149 V150 V151 Q156 A157H149-Q153 WeakPolarHBondContact O-CG 3.42Å; H149-Q153 PolarHBondContact O-N 3.02Å; H149-Q153 VanDerWaalsContact O-N 3.14Å; V150-Q153 PolarHBondContact O-N 3.41Å; V151-Q153 PolarHBondContact O-N 2.84Å; Q153-Q156 PolarHBondContact O-N 3.03Å; Q153-A157 WeakPolarHBondContact O-CB 3.48Å; Q153-A157 PolarHBondContact O-N 2.99Å
154C40.8Very low37.2Very low26 Ų2698 Ų9818%0.17650%0.497CS..Hα-helixtrans-64.2-42174-71.90000112.1L139 V150 V151 A157 L158L139-C154 HydrophobicContact CD2-CB 4.21Å; V150-C154 WeakPolarHBondContact O-CB 3.48Å; V150-C154 PolarHBondContact O-N 3.41Å; V150-C154 PolarHBondContact O-SG 3.39Å; V150-C154 VanDerWaalsContact O-SG 3.32Å; V151-C154 PolarHBondContact O-N 3.41Å; C154-A157 PolarHBondContact O-N 3.2Å; C154-L158 WeakPolarHBondContact O-CB 3.16Å; C154-L158 WeakPolarHBondContact O-CG 3.39Å; C154-L158 PolarHBondContact O-N 3.35Å
155T40.3Very low37.3Very low66 Ų66101.2 Ų101.241%0.40550%0.504SS..Hα-helixtrans-65.4-41.3174.8-61.40000111.2V151 E152 A157 L158 M159V151-T155 WeakPolarHBondContact O-CB 3.38Å; V151-T155 PolarHBondContact O-N 3.22Å; V151-T155 PolarHBondContact O-OG1 2.82Å; V151-T155 VanDerWaalsContact O-OG1 3.05Å; E152-T155 PolarHBondContact O-N 3.26Å; T155-A157 VanDerWaalsContact C-N 3.32Å; T155-A157 PolarHBondContact O-N 3.36Å; T155-L158 PolarHBondContact O-N 3.37Å; T155-M159 HydrophobicContact CG2-CG 4.27Å; T155-M159 WeakPolarHBondContact O-CB 3.27Å; T155-M159 WeakPolarHBondContact O-CG 3.39Å; T155-M159 PolarHBondContact O-N 2.9Å
156Q42.2Very low36.9Very low102 Ų102104.8 Ų104.848%0.47752%0.518SS..Hα-helixtrans-64.1-34.9174-73.1176.718.700112.6E152 Q153 K160E152-Q156 WeakPolarHBondContact O-CB 3.49Å; E152-Q156 VanDerWaalsContact O-CG 3.26Å; E152-Q156 WeakPolarHBondContact O-CG 3.23Å; E152-Q156 PolarHBondContact O-N 3.27Å; E152-Q156 PolarHBondContact OE1-NE2 3.42Å; Q153-Q156 PolarHBondContact O-N 3.03Å; Q156-K160 WeakPolarHBondContact O-CG 3.46Å; Q156-K160 PolarHBondContact O-N 3.26Å
157A40.2Very low36.4Very low34 Ų34101.5 Ų101.528%0.28151%0.514SS..Hα-helixtrans-68.8-44.2173.700000112.1Q153 C154 T155 K160 F161Q153-A157 WeakPolarHBondContact O-CB 3.48Å; Q153-A157 PolarHBondContact O-N 2.99Å; C154-A157 PolarHBondContact O-N 3.2Å; T155-A157 VanDerWaalsContact C-N 3.32Å; T155-A157 PolarHBondContact O-N 3.36Å; A157-K160 PolarHBondContact O-N 3.43Å; A157-F161 PolarHBondContact O-N 3.3Å
158L38.8Very low35.9Very low58 Ų58108.5 Ų108.530%0.30455%0.546SS..Hα-helixtrans-62.6-43174.8-77.8162.4000112.1L139 C154 T155 K160 F161 I162L139-L158 HydrophobicContact CD1-CD1 4.1Å; C154-L158 WeakPolarHBondContact O-CB 3.16Å; C154-L158 WeakPolarHBondContact O-CG 3.39Å; C154-L158 PolarHBondContact O-N 3.35Å; T155-L158 PolarHBondContact O-N 3.37Å; L158-K160 VanDerWaalsContact C-N 3.25Å; L158-K160 PolarHBondContact O-N 3.05Å; L158-F161 CarbonylContact O-C 3.59Å; L158-F161 WeakPolarHBondContact O-CA 3.36Å; L158-F161 WeakPolarHBondContact O-CB 3.45Å; L158-F161 PolarHBondContact O-N 3.44Å; L158-I162 HydrophobicContact CB-CD1 4.4Å; L158-I162 VanDerWaalsContact O-CG1 3.31Å; L158-I162 WeakPolarHBondContact O-CG1 3.49Å; L158-I162 PolarHBondContact O-N 3.05Å
159M38.5Very low35.6Very low124 Ų124113.1 Ų113.161%0.61157%0.567SS**Hα-helixtrans-63.7-28.1177.1-71.6-68.3-74.900113T155T155-M159 HydrophobicContact CG2-CG 4.27Å; T155-M159 WeakPolarHBondContact O-CB 3.27Å; T155-M159 WeakPolarHBondContact O-CG 3.39Å; T155-M159 PolarHBondContact O-N 2.9Å
160K41.3Very low35.4Very low160 Ų160115.8 Ų115.870%0.69658%0.576SS**Hα-helixtrans-73.1-27.7169.5-72.3172.1-178.8178.20112.9Q156 A157 L158Q156-K160 WeakPolarHBondContact O-CG 3.46Å; Q156-K160 PolarHBondContact O-N 3.26Å; A157-K160 PolarHBondContact O-N 3.43Å; L158-K160 VanDerWaalsContact C-N 3.25Å; L158-K160 PolarHBondContact O-N 3.05Å
161F34.7Very low34.8Very low140 Ų140122.3 Ų122.361%0.61460%0.603SS**Hα-helixtrans-81.4-29.2177.9-119.2-88.1000113.4A157 L158A157-F161 PolarHBondContact O-N 3.3Å; L158-F161 CarbonylContact O-C 3.59Å; L158-F161 WeakPolarHBondContact O-CA 3.36Å; L158-F161 WeakPolarHBondContact O-CB 3.45Å; L158-F161 PolarHBondContact O-N 3.44Å
162I34.2Very low34.1Very low122 Ų122130.4 Ų130.463%0.62664%0.64SS**SBendtrans-85.8-8.6-175.1-67.9164.7000112.7L158L158-I162 HydrophobicContact CB-CD1 4.4Å; L158-I162 VanDerWaalsContact O-CG1 3.31Å; L158-I162 WeakPolarHBondContact O-CG1 3.49Å; L158-I162 PolarHBondContact O-N 3.05Å
163Q31.9Very low34Very low145 Ų145130.2 Ų130.268%0.67865%0.648SS**SBendtrans-58.6128.6175.1-73.2-166.3-14.100111.4R165Q163-R165 PolarHBondContact O-N 3Å
164P31.6Very low33.2Very low109 Ų109133.2 Ų133.271%0.70866%0.662SS**  trans-65.6128.7-177.325.8-33.7000110.7H166P164-H166 VanDerWaalsContact C-N 3.31Å; P164-H166 PolarHBondContact O-N 3.42Å
165R32.2Very low32.4Very low243 Ų243139.1 Ų139.192%0.91769%0.687SS**  trans-7079.2-179.9-67.2-179.5176.4-178.6-1.9111.8Q163Q163-R165 PolarHBondContact O-N 3Å
166H29Very low31.7Very low179 Ų179144.1 Ų144.183%0.82971%0.706SS**  trans-65.9137.6163.8-99.8-95.2000110.5P164 Q168P164-H166 VanDerWaalsContact C-N 3.31Å; P164-H166 PolarHBondContact O-N 3.42Å; H166-Q168 PolarHBondContact O-N 2.86Å
167C27.1Very low31Very low117 Ų117148.8 Ų148.879%0.79173%0.727SS**  trans-57.3132.4-165.7-71.40000114.4V169C167-V169 PolarHBondContact O-N 3.37Å
168Q27.7Very low30.3Very low197 Ų197150.3 Ų150.392%0.92175%0.747SS**  trans-73.7114.9153.3-69.7-178.7-11.300109H166H166-Q168 PolarHBondContact O-N 2.86Å
169V28.1Very low29.6Very low135 Ų135155.8 Ų155.882%0.81878%0.777SS**  trans-100135.9154.3179.50000106.9C167C167-V169 PolarHBondContact O-N 3.37Å
170K31.1Very low29.1Very low199 Ų199153.6 Ų153.687%0.86579%0.785SS**  trans-65.2143-167.3-59.2174.8-178.6177.40112.3
171Q25Very low28.4Very low192 Ų192154.6 Ų154.690%0.89779%0.792SS**  trans-134.3131.4152.8-74.6-170.6-16.400110.5
172Q22.8Very low27.9Very low189 Ų189153.1 Ų153.188%0.88380%0.795SS**  trans-158.4151.7163.5-114.9-171.7-3.900106
173P35Very low27.5Very low104 Ų104154.8 Ų154.868%0.67581%0.805SS**  -117.2-157.9-94.738.6-29.6000112.1
174Q23.9Very low27.1Very low156 Ų156159.8 Ų159.873%0.72982%0.817SS**  trans75.3148.2-179-47.9-178.5-96.300113.2
175E25.2Very low26.7Very low150 Ų150158.9 Ų158.970%0.70182%0.819SS**  cis-156.4171.4-16.9-118143.5-143.900109
176E26.2Very low26.4Very low171 Ų171152.4 Ų152.480%0.79981%0.811SS**  trans8.3140.8162.7-59.2180153.500122.8
177E26.6Very low27Very low200 Ų200148.6 Ų148.694%0.93580%0.802SS**  trans58.1144.6158.3-59.7-179.616600118.4
178G26.5Very low26.9Very low67 Ų67151 Ų15169%0.69181%0.805SS**  cis-172-152.33.700000111.7
179D23.8Very low26.8Very low173 Ų173149 Ų14993%0.92580%0.796SS**  trans-47159.8177.529.6-75.1000118.4
180G27.7Very low26.7Very low77 Ų77152.8 Ų152.879%0.79480%0.801SS**  trans142.392.5156.900000119.6
181E26.1Very low26.5Very low181 Ų181149.2 Ų149.285%0.84679%0.79SS**  trans-9140.4150.7-76.7-165.5166.100123.7
182T25.4Very low26.5Very low109 Ų109148.9 Ų148.967%0.66979%0.786SS**  82.7114.7125.1-62.70000123.1
183L25Very low26.6Very low158 Ų158147.1 Ų147.183%0.82778%0.778SS**  trans32.4127.3141.4-56171.1000121.3
184R24Very low26Very low250 Ų250150 Ų15094%0.94379%0.786SS**  -170.4152.4102.2-106.3175.2-179.5-166-0.1115.6
185A22.7Very low27.1Very low89 Ų89147.6 Ų147.674%0.73678%0.784SS**  trans-76.4-179.4162.500000110.2
186S25.7Very low27.1Very low107 Ų107149.2 Ų149.275%0.74879%0.791SS**  cis178.3-155.935.2-136.50000106.7
187P40.6Very low27.1Very low100 Ų100145 Ų14565%0.64979%0.786SS**  -124.1-168.1-51.338.9-23.7000111
188I25.3Very low27Very low167 Ų167144.9 Ų144.986%0.85679%0.785SS**  -169.3150.7124.5-99.9158.5000110.1
189Q27.3Very low27Very low154 Ų154147.4 Ų147.472%0.7279%0.787SS**  trans-114.5164.4-166-57.3161-49.700113.2
190K25.7Very low27Very low215 Ų215149 Ų14994%0.93579%0.786SS**  trans-150.1153.8135.4-114.8168.6-174.3175.30111.2
191I26.9Very low26.9Very low124 Ų124152.7 Ų152.764%0.63678%0.782SS**  trans-134.4145.4-159.8-64.8163.2000109.8
192K25Very low26.7Very low186 Ų186153.3 Ų153.381%0.80978%0.776SS**  trans-16999.8142.1-111.4178.4177.7-165.60115.9
193E24.7Very low26.8Very low151 Ų151155.1 Ų155.171%0.70678%0.778SS**  43.7108.9125.3-60.9166.1151.900121.7
194L22.2Very low27Very low164 Ų164152.9 Ų152.986%0.85976%0.763SS**  21.7165.5109.5-68.9161.9000120.8
195P46.8Very low27.3Very low106 Ų106148.7 Ų148.769%0.68875%0.754SS**  cis-114.9-146-3.720.75.5000110.7
196H24Very low27.5Very low184 Ų184151.2 Ų151.285%0.85276%0.755SS**  cis-154.6-158.38-137.8-32.3000111.5
197A26.4Very low27.6Very low82 Ų82153.2 Ų153.268%0.67876%0.757SS**  trans-151.3171.4-171.800000115.2
198Q25.6Very low27.1Very low199 Ų199157.9 Ų157.993%0.9377%0.771SS**  trans-158.4169.9149.1-118.8172.658.800113.6
199V26.5Very low27.2Very low119 Ų119157.8 Ų157.872%0.72177%0.772SS**  trans-138.9155-157.11730000111.4
200K23Very low27.3Very low206 Ų206158.2 Ų158.290%0.89678%0.779SS**  trans-157.5139.5147.6-116.6168.4-174.8-179.70114.4
201H25.6Very low27.3Very low155 Ų155153.8 Ų153.872%0.71877%0.766SS**  trans-103.3168.3168.5-90.3-124.6000110.4
202R22.7Very low27.3Very low194 Ų194154.2 Ų154.273%0.73277%0.774SS**  trans-157.1156.3130.6-162.3151.9-173.5-176.5-5.9112E204R202-E204 IonicContact CZ-OE1 3.13Å; R202-E204 IonicContact CZ-OE2 3.18Å; R202-E204 VanDerWaalsContact NE-CD 3.34Å; R202-E204 IonicContact NE-OE1 2.69Å; R202-E204 PolarHBondContact NE-OE1 3.28Å; R202-E204 IonicContact NE-OE2 3.22Å; R202-E204 PolarHBondContact NE-OE2 3.09Å; R202-E204 IonicContact NH2-OE1 2.75Å; R202-E204 PolarHBondContact NH2-OE1 3.47Å; R202-E204 IonicContact NH2-OE2 2.69Å; R202-E204 PolarHBondContact NH2-OE2 3.38Å
203E26.8Very low27.3Very low148 Ų148150.5 Ų150.569%0.69276%0.761SS**  trans-108.8-143.7178.7-64120.1140.700111.3
204E30Very low27.4Very low111 Ų111150.2 Ų150.252%0.51976%0.763SS.*  trans77131.4178-57.3138.4-132.400116.4R202R202-E204 IonicContact CZ-OE1 3.13Å; R202-E204 IonicContact CZ-OE2 3.18Å; R202-E204 VanDerWaalsContact NE-CD 3.34Å; R202-E204 IonicContact NE-OE1 2.69Å; R202-E204 PolarHBondContact NE-OE1 3.28Å; R202-E204 IonicContact NE-OE2 3.22Å; R202-E204 PolarHBondContact NE-OE2 3.09Å; R202-E204 IonicContact NH2-OE1 2.75Å; R202-E204 PolarHBondContact NH2-OE1 3.47Å; R202-E204 IonicContact NH2-OE2 2.69Å; R202-E204 PolarHBondContact NH2-OE2 3.38Å
205E30Very low27.6Very low161 Ų161150.7 Ų150.775%0.75276%0.761SS**  cis-169.7135-21.4-121131.8-116.800112.6
206D26.7Very low27.2Very low142 Ų142150.1 Ų150.176%0.75976%0.758SS**  trans45.9156.9148.7-53.5-19.9000129
207D26.8Very low27.2Very low150 Ų150150.3 Ų150.380%0.80276%0.761SS**  trans34.4138148.4-60.2-16.2000126.8
208E31.5Very low27Very low198 Ų198152.2 Ų152.293%0.92577%0.765SS**  178.5159.1107.5-97.2-170.2169.600113.8
209D27Very low27.6Very low164 Ų164147.9 Ų147.988%0.87775%0.753SS**  trans-93.4163.9-176.9-65.2-70.5000114.5
210D29.8Very low27.6Very low164 Ų164149.1 Ų149.188%0.87776%0.762SS**  trans-158.1139.9141.4-140.1-16.2000112.9
211D24.8Very low27.7Very low122 Ų122147 Ų14765%0.65276%0.755SS**  trans-141.6125.4-164.9-170.716.4000113.9
212V27.6Very low27.7Very low133 Ų133150.3 Ų150.381%0.80676%0.761SS**  trans-151.796.2-178-179.40000108.3
213I25.1Very low27.9Very low107 Ų107151.2 Ų151.255%0.54977%0.765SS.*  56.511951.9-35.1175.3000110.7
214I26Very low27.8Very low145 Ų145149.5 Ų149.574%0.74476%0.76SS**  cis-148.1133.245.5-57.6-93.6000106.9
215Q26Very low27.8Very low174 Ų174155.4 Ų155.481%0.81378%0.778SS**  75.8166.269.9-114.7-159.980.600115.8
216P40.3Very low27.6Very low95 Ų95151.5 Ų151.562%0.61778%0.78SS**  -131.9-178-111.244.2-27.9000116.4
217M23.7Very low27.7Very low187 Ų187154.4 Ų154.492%0.92179%0.789SS**  trans-145.2152149.5-75.2-147.387.900113.3
218T21.2Very low27.6Very low123 Ų123150.9 Ų150.976%0.75579%0.789SS**  trans-130-167.2178.457.50000108.7
219P37.6Very low27.4Very low107 Ų107151 Ų15170%0.69579%0.789SS**  -124.1176.3-55.734.1-19.5000111.9
220T26.4Very low27.4Very low146 Ų146152.6 Ų152.690%0.89679%0.791SS**  trans-144.8137.1148.3-27.50000112.5
221Q26.5Very low27.2Very low162 Ų162150 Ų15076%0.75779%0.786SS**  trans-105.4146179-62.5175-14.700112.3
222R25.2Very low27.4Very low224 Ų224150 Ų15085%0.84579%0.793SS**  176.7120.5126.6-94156.8-170.6-1472.2108.5
223R26.4Very low27.2Very low213 Ų213151.3 Ų151.380%0.80479%0.794SS**  65.913087.7-72.7-169.9179.6178.20.9113
224D25.5Very low27.1Very low111 Ų111152.3 Ų152.359%0.59481%0.805SS**  cis-154152.26.3-124.2-50.8000113.9
225R28.8Very low27Very low236 Ų236152.6 Ų152.689%0.89181%0.806SS**  trans13.6140.1159.9-71.6160.1172.6164.7-3.4122.6
226G26.6Very low26.9Very low78 Ų78150.5 Ų150.580%0.80481%0.805SS**  trans17244.8157.400000116
227E29.4Very low25.9Very low203 Ų203155.1 Ų155.195%0.94982%0.815SS**  trans-77.8157.6-175.3-69.9175.2144.200114.1
228G24.1Very low25.9Very low77 Ų77152.5 Ų152.579%0.79481%0.81SS**  trans-104.7-157.1-176.200000114.8
229E26.7Very low25.9Very low199 Ų199155.6 Ų155.693%0.9382%0.815SS**  trans-71.7136.8-170.9-53.6167.7137.200113.5
230E27.5Very low25.2Very low199 Ų199154.9 Ų154.993%0.9382%0.819SS**  trans-154.8155140.8-124176.5-140.500110.3
231S26.7Very low25.1Very low108 Ų108154.5 Ų154.576%0.75582%0.816SS**  trans-136.7133.5-164.2590000114.3
232P27.8Very low24.9Very low124 Ų124152.8 Ų152.881%0.80582%0.821SS**PPolyproline II helixtrans-86.6129.6173.732.8-32.3000112
233I23.7Very low24.8Very low160 Ų160148.5 Ų148.582%0.82181%0.81SS**PPolyproline II helixtrans-73.6129.7176.4-63.8168.3000110.1
234T24Very low24.8Very low127 Ų127147.6 Ų147.678%0.77981%0.807SS**PPolyproline II helixtrans-95.9128.5172.3-36.70000110.8
235I22.7Very low24.6Very low152 Ų152148.7 Ų148.778%0.77982%0.817SS**PPolyproline II helixtrans-87.4123.7178.6-61.7169.6000109.5
236V23Very low24.4Very low130 Ų130142.3 Ų142.379%0.78881%0.809SS**  trans-120.3123.4163.8-179.40000108
237K21Very low24.3Very low191 Ų191146.4 Ų146.483%0.8381%0.807SS**  trans-117.7120.2-178.4-173.7-177.4-179.1-173.60108.3
238V22.6Very low24Very low133 Ų133143.8 Ų143.881%0.80680%0.797SS**  trans-110.2148.3172-1780000108.2
239E21.7Very low23.9Very low187 Ų187145.2 Ų145.287%0.87479%0.794SS**  trans-86.3173.7-161.5-60.4-176.4116.400114
240A23.8Very low23.8Very low93 Ų93140.1 Ų140.177%0.76979%0.786SS**  trans-83.3155.7-178.800000112.4
241V23Very low23.7Very low138 Ų138136.3 Ų136.384%0.83678%0.781SS**  -177.9148.5118.8147.80000107.9
242C23.1Very low23.7Very low126 Ų126139.2 Ų139.285%0.85179%0.787SS**  trans-132.3112175.4-179.20000109.1
243E22.7Very low23.4Very low133 Ų133137.9 Ų137.962%0.62179%0.786SS**  trans-141.7129.6170.4-79.2-138.9149.700113.5
244R25.8Very low23.4Very low194 Ų194133.6 Ų133.673%0.73278%0.781SS**  trans65.9118.3137.3-66.9-171.3-134.4-127.9-3.6122.4
245V21.9Very low23.4Very low135 Ų135133.6 Ų133.682%0.81879%0.785SS**  93.3141.5124.7171.90000118.9
246S25Very low23.3Very low102 Ų102135.5 Ų135.571%0.71379%0.788SS**  trans-63.5154.5179.9-40.60000114.3
247E23.8Very low23.3Very low163 Ų163138.5 Ų138.576%0.76279%0.793SS**  -177167.2105-105.2-176.7174.600115.8
248M23.3Very low23.3Very low149 Ų149135.3 Ų135.373%0.73479%0.79SS**  trans55.590.9148.8-69.5179.7-16900122.5
249S22.9Very low23.4Very low107 Ų107134.5 Ų134.575%0.74879%0.79SS**  56.9132.411069.50000124.3
250A24.8Very low23.5Very low91 Ų91131.1 Ų131.175%0.75279%0.787SS**  trans97.1139.7133.900000121.1
251S24.4Very low24.1Very low119 Ų119132.2 Ų132.283%0.83279%0.786SS**  trans66.7147.5171.6-61.60000115.8
252I26.6Very low24.1Very low169 Ų169133.5 Ų133.587%0.86779%0.788SS**  cis-117.615622.6-70.7166.5000112.3
253A22.1Very low24.1Very low96 Ų96132.9 Ų132.979%0.79378%0.78SS**  trans-115.6160175.300000112.4
254G22.4Very low24.1Very low70 Ų70133.5 Ų133.572%0.72279%0.787SS**  trans104.6146.8176.900000113.3
255C24.2Very low24Very low127 Ų127132.3 Ų132.386%0.85879%0.789SS**  cis-125.2145.18.4-64.10000112.6
256F20.8Very low24.1Very low192 Ų192131.2 Ų131.284%0.84279%0.788SS**  trans-79.3151.8157.1-75.2-104.9000109.2
257H22.9Very low24.1Very low194 Ų194132.1 Ų132.190%0.89879%0.791SS**  trans-145148.5132.4-98.9-65.5000110.9
258T22.3Very low24.3Very low124 Ų124132.9 Ų132.976%0.76180%0.795SS**  trans-97.8139-161.5490000113.5
259S23.8Very low25.2Very low115 Ų115130.4 Ų130.480%0.80479%0.79SS**  trans-156.9142.7139.851.90000112.1
260S23.6Very low25.2Very low117 Ų117132.9 Ų132.982%0.81879%0.789SS**  trans-167.9160.1176.3-83.40000107.9
261P37.8Very low25.4Very low115 Ų115135.9 Ų135.975%0.74779%0.788SS**  cis-123.8-178.7-17.139.7-26.1000111.7
262L21.4Very low25.5Very low165 Ų165135.1 Ų135.186%0.86478%0.782SS**  -169.5157.7127.4-104.4169000112.2
263T24.6Very low25.5Very low113 Ų113132.8 Ų132.869%0.69377%0.771SS**  trans-71.9146.8-170.747.80000115.5
264L21.8Very low25.7Very low147 Ų147136.2 Ų136.277%0.7777%0.774SS**  -173.1155.3114.2-99.9155.8000114.5
265H23.3Very low25.8Very low169 Ų169139 Ų13978%0.78277%0.773SS**  trans9.9126174.8-66.8-47.1000123.1
266S23.8Very low25.9Very low112 Ų112138.5 Ų138.578%0.78377%0.771SS**  trans-93.6136.3146.4177.30000110.3
267P25.9Very low26.2Very low121 Ų121134.7 Ų134.779%0.78676%0.763SS**  trans-108.898.6174.636.4-27.8000113.8
268E28.3Very low26.5Very low178 Ų178131.5 Ų131.583%0.83276%0.757SS**  trans-126.2163.9147.7-90.2-158.6167.400107.6
269P41.9Very low26.7Very low98 Ų98132.3 Ų132.364%0.63676%0.757SS**  cis-122.9-152.8-2.539.9-23.6000110.9
270Q23.5Very low27Very low158 Ų158133.8 Ų133.874%0.73876%0.761SS**  -178.1106.5123.7-90.3-91.6-24.300113.2
271H27.6Very low27.2Very low154 Ų154139.5 Ų139.571%0.71377%0.765SS**  trans57.3169.6150.3-65.1-96.6000118.6
272S27Very low26.9Very low103 Ų103138.9 Ų138.972%0.7277%0.769SS**  cis-153.7160.71243.20000108.7
273L27.3Very low27.2Very low120 Ų120134 Ų13463%0.62876%0.76SS**  cis-165156.6-1.3-114.5166.5000108.9N275L273-N275 WeakPolarHBondContact CD2-OD1 3.34Å
274I25.3Very low27.7Very low169 Ų169138.3 Ų138.387%0.86777%0.771SS**  -165.2132.7125.6-95.7160.4000106.2
275N24.2Very low28Very low129 Ų129140 Ų14069%0.6978%0.777SS**  trans-86.9140.4-171.3-68.7-26.7000113.1L273L273-N275 WeakPolarHBondContact CD2-OD1 3.34Å
276S26.9Very low28.1Very low116 Ų116138.5 Ų138.581%0.81178%0.781SS**  -156.3121.9123.2-161.40000110.1
277T27.9Very low28.4Very low112 Ų112140.4 Ų140.469%0.68778%0.78SS**  trans-88.2134.2-174.944.50000112.1
278V28.4Very low28.6Very low127 Ų127140.6 Ų140.677%0.7778%0.782SS**  trans-139.199.7154.5-174.60000107.8T280V278-T280 PolarHBondContact O-N 3.39Å
279D26.6Very low28.5Very low141 Ų141139.3 Ų139.375%0.75478%0.776SS**  trans-65.9125.1-177.9-67.2-80.2000112.6R281D279-R281 PolarHBondContact O-N 3.36Å
280T30.1Very low27.9Very low146 Ų146142 Ų14290%0.89678%0.782SS**  trans-79.572.5168.6460000110.5V278 A282V278-T280 PolarHBondContact O-N 3.39Å; T280-A282 PolarHBondContact O-N 3.19Å
281R28Very low28.5Very low236 Ų236139.1 Ų139.189%0.89178%0.776SS**  trans-74.295.5166.6-168.2170.4-171.1159.83109.4D279 G283D279-R281 PolarHBondContact O-N 3.36Å; R281-G283 PolarHBondContact O-N 3.17Å
282A30.9Very low28.9Very low102 Ų102135.5 Ų135.584%0.84378%0.78SS**  trans-58.9125.916200000108.6T280T280-A282 PolarHBondContact O-N 3.19Å
283G28.2Very low29Very low64 Ų64141 Ų14166%0.6679%0.787SS**  trans-154.312317600000107.5R281 M285R281-G283 PolarHBondContact O-N 3.17Å; G283-M285 PolarHBondContact O-N 2.95Å
284E35.4Very low29.5Very low202 Ų202143.4 Ų143.494%0.94480%0.799SS**  trans-65.2121.9-177.4-65.5168.6106.500110.1
285M27Very low29.6Very low182 Ų182143.7 Ų143.790%0.89780%0.802SS**  trans-133.1117.4159.9-71-167.1171.600108.1G283G283-M285 PolarHBondContact O-N 2.95Å
286T25.5Very low29.7Very low138 Ų138142.5 Ų142.585%0.84780%0.803SS**PPolyproline II helixtrans-55138.7-178.638.40000112.3P288T286-P288 VanDerWaalsContact O-CD 3.3Å; T286-P288 WeakPolarHBondContact O-CD 3.4Å
287I30.9Very low30.1Very low152 Ų152142.8 Ų142.878%0.77980%0.803SS**PPolyproline II helixtrans-72.3120.5175.5-59.5168.2000109.4
288P29.9Very low30.2Very low125 Ų125142.8 Ų142.881%0.81281%0.805SS**PPolyproline II helixtrans-75.4126.7161.5-928000108.7T286T286-P288 VanDerWaalsContact O-CD 3.3Å; T286-P288 WeakPolarHBondContact O-CD 3.4Å
289H26.2Very low30.5Very low152 Ų152142.6 Ų142.670%0.70481%0.806SS**PPolyproline II helixtrans-94.7156.6-177.6-146.1-71000111
290M29.6Very low30.8Very low155 Ų155143.8 Ų143.876%0.76481%0.811SS**  trans72167.4167.4-54.9-55-166.500116.9
291P36.2Very low30.9Very low97 Ų97142.9 Ų142.963%0.6381%0.808SS**  -139.1147.4-56.338.5-23.9000115.3Y293P291-Y293 WeakPolarHBondContact O-CD2 3.48Å
292G36.4Very low30.9Very low77 Ų77138.6 Ų138.679%0.79481%0.808SS**  trans69.4-157149.200000118.6
293Y27.6Very low31Very low220 Ų220139.5 Ų139.586%0.86381%0.808SS**  trans68110.3-178.7-60.4-78.3000118.5P291P291-Y293 WeakPolarHBondContact O-CD2 3.48Å
294L37.8Very low31.1Very low169 Ų169141.3 Ų141.389%0.88582%0.817SS**  trans-61.9151.7156.9-60.8157000110.1
295L27.5Very low31Very low176 Ų176138.8 Ų138.892%0.92182%0.816SS**  trans-161146.5149.6-110.3161.8000111.7
296S27.5Very low31Very low103 Ų103133.8 Ų133.872%0.7281%0.811SS**PPolyproline II helixtrans-82.9159.7-178.6-58.10000112.3
297P34.5Very low31.2Very low123 Ų123138.8 Ų138.880%0.79981%0.814SS**PPolyproline II helixtrans-71.2144.817729.4-35.5000112.9
298P31Very low32.2Very low112 Ų112136 Ų13673%0.72781%0.806SS**PPolyproline II helixtrans-81.6162.6174.134.2-35.5000112.9
299P32.8Very low32.1Very low123 Ų123137 Ų13780%0.79981%0.805SS**PPolyproline II helixtrans-79.7163.2-176.733-36.8000114.4
300L32.9Very low32.3Very low166 Ų166137.5 Ų137.587%0.86981%0.811SS**PPolyproline II helixtrans-82.2143.4174.3-75.673.9000111.9
301P32.8Very low32.3Very low126 Ų126133.9 Ų133.982%0.81881%0.813SS**PPolyproline II helixtrans-86160.5164.735.4-33.8000112.6
302T28.4Very low31.9Very low147 Ų147132.9 Ų132.990%0.90282%0.821SS**  trans-91.7178-176.839.30000114.1
303S33.9Very low31.9Very low120 Ų120138.9 Ų138.984%0.83983%0.828SS**  trans-79146.9-16254.90000117.1
304A28.9Very low32Very low103 Ų103136 Ų13685%0.85183%0.826SS**  trans-144.2141.3150.600000112.2
305T33.1Very low32.2Very low148 Ų148139.5 Ų139.591%0.90883%0.828SS**  trans-61.9151.4-174.448.60000117.4
306G28.2Very low32.4Very low77 Ų77136 Ų13679%0.79481%0.81SS**  trans144.5131.5150.400000118
307R30Very low33.1Very low244 Ų244136.9 Ų136.992%0.92182%0.816SS**  trans-171.5165169.1-112.2-171.1-176.3-143.71.8109.9
308P50.4Low33.4Very low92 Ų92137.3 Ų137.360%0.59781%0.812SS**  cis-134.3-179.6-7.341.1-24.8000115.6
309N29.1Very low33.8Very low148 Ų148140.3 Ų140.379%0.79181%0.813SS**  trans68.2144.8158.5-74.5-10.4000118
310L30.2Very low34.1Very low162 Ų162139.3 Ų139.385%0.84881%0.81SS**  cis-156.7149.623.5-130.4162.1000111.3
311G29.9Very low34.8Very low78 Ų78137.7 Ų137.780%0.80480%0.801SS**  trans61.5116.3151.100000121.4
312G26.8Very low35.4Very low76 Ų76137 Ų13778%0.78479%0.787SS**  trans162.2139.3163.500000114.6L314G312-L314 PolarHBondContact O-N 3.38Å
313H37.5Very low36.9Very low204 Ų204138.8 Ų138.894%0.94478%0.777SS**  trans-76.1116176.7-81.5-89.9000111.8
314L29.1Very low39Very low159 Ų159138.5 Ų138.583%0.83276%0.759SS**  trans-115.9128.5161.3-89.7159.7000110G312 N316G312-L314 PolarHBondContact O-N 3.38Å; L314-N316 PolarHBondContact O-N 3Å
315R40.9Very low41.4Very low243 Ų243136.1 Ų136.192%0.91773%0.73SS**  trans-71.890.2172.7-82.8-175.4167.3-160.2-1109.5S317R315-S317 VanDerWaalsContact C-N 3.25Å; R315-S317 PolarHBondContact O-N 2.98Å
316N33.2Very low43.4Very low101 Ų101135.1 Ų135.154%0.5472%0.715SS.*  trans-74.683.9160.4-92.978.4000109.7L314 D318 K319L314-N316 PolarHBondContact O-N 3Å; N316-D318 PolarHBondContact ND2-O 3.42Å; N316-D318 PolarHBondContact O-N 2.85Å; N316-D318 VanDerWaalsContact O-N 3.1Å; N316-K319 HydrophobicContact CB-CD 4.42Å; N316-K319 HydrophobicContact CB-CG 4.24Å
317S40.7Very low45.8Very low123 Ų123131.7 Ų131.786%0.8668%0.679SS**  trans-7326.8155.854.10000112R315R315-S317 VanDerWaalsContact C-N 3.25Å; R315-S317 PolarHBondContact O-N 2.98Å
318D42.7Very low47.8Very low132 Ų132125.5 Ų125.571%0.70667%0.67SS**  trans-149.181.1-177-168.8-0.4000108.7N316N316-D318 PolarHBondContact ND2-O 3.42Å; N316-D318 PolarHBondContact O-N 2.85Å; N316-D318 VanDerWaalsContact O-N 3.1Å
319K39.4Very low48.3Very low174 Ų174127.9 Ų127.976%0.75767%0.671SS**  trans-159.4132.6166.8-69.7-174.2-174.9171.40105.7N316N316-K319 HydrophobicContact CB-CD 4.42Å; N316-K319 HydrophobicContact CB-CG 4.24Å
320S37.8Very low50.5Low103 Ų103123 Ų12372%0.7265%0.648SS**  cis-153.8166-7.7-175.30000107.6Q322S320-Q322 PolarHBondContact O-N 3.28Å
321L48.4Very low52.5Low132 Ų132119.7 Ų119.769%0.69164%0.644SS**  trans-40.5111.6167.1-70.3152.5000110.2W323L321-W323 VanDerWaalsContact C-N 3.26Å; L321-W323 PolarHBondContact O-N 2.89Å
322Q44.3Very low54.7Low110 Ų110123.6 Ų123.651%0.51463%0.634SS.*  trans-77.780.3-178.8-173170.160.100109.4S320 Y324S320-Q322 PolarHBondContact O-N 3.28Å; Q322-Y324 HydrophobicContact CB-CE2 4.36Å; Q322-Y324 HydrophobicContact CG-CD2 4.49Å; Q322-Y324 HydrophobicContact CG-CE2 4.01Å; Q322-Y324 WeakPolarHBondContact O-CD2 3.39Å; Q322-Y324 WeakPolarHBondContact O-CE2 3.34Å; Q322-Y324 PolarHBondContact O-N 3.46Å; Q322-Y324 PolarHBondContact OE1-OH 2.81Å
323W61.1Low57.1Low186 Ų186123.4 Ų123.471%0.70562%0.618SS**  trans-62.4107.5177.2-72.192.5000110.6L321L321-W323 VanDerWaalsContact C-N 3.26Å; L321-W323 PolarHBondContact O-N 2.89Å
324Y77.1Confident59.4Low114 Ų114115.6 Ų115.645%0.44758%0.581SS.*  trans-78121.1175.1-77.3-94.9000110Q322 Q326 V333 R335Q322-Y324 HydrophobicContact CB-CE2 4.36Å; Q322-Y324 HydrophobicContact CG-CD2 4.49Å; Q322-Y324 HydrophobicContact CG-CE2 4.01Å; Q322-Y324 WeakPolarHBondContact O-CD2 3.39Å; Q322-Y324 WeakPolarHBondContact O-CE2 3.34Å; Q322-Y324 PolarHBondContact O-N 3.46Å; Q322-Y324 PolarHBondContact OE1-OH 2.81Å; Y324-Q326 PolarHBondContact O-N 3.05Å; Y324-V333 HydrophobicContact CD1-CG1 3.84Å; Y324-V333 HydrophobicContact CG-CG1 4.22Å; Y324-R335 HydrophobicContact CD1-CG 3.94Å; Y324-R335 HydrophobicContact CE1-CG 3.39Å; Y324-R335 PolarHBondContact OH-NE 3.41Å; Y324-R335 PolarHBondContact OH-NH2 3.16Å; Y324-R335 VanDerWaalsContact OH-NH2 3.12Å
325H78.9Confident61.8Low53 Ų53116 Ų11625%0.24557%0.572CS.*EExtended strand (participates in β ladder)trans-89.2103.3177.1-53.3-66.4000110.3F334 L337 Y340H325-F334 PolarHBondContact N-O 3.47Å; H325-F334 PolarHBondContact O-N 3.34Å; H325-L337 WeakPolarHBondContact NE2-CA 3.31Å; H325-Y340 HydrophobicContact CB-CD1 3.74Å; H325-Y340 HydrophobicContact CB-CD2 3.51Å; H325-Y340 HydrophobicContact CB-CE1 4.2Å; H325-Y340 HydrophobicContact CB-CE2 4Å; H325-Y340 HydrophobicContact CB-CG 3.36Å; H325-Y340 AromaticContact CG-CG 4Å
326Q76.6Confident63.7Low126 Ų126110.1 Ų110.159%0.58956%0.555SS**EExtended strand (participates in β ladder)trans-85.6137.2173.4-176.5167.351.500110.8Y324 V333Y324-Q326 PolarHBondContact O-N 3.05Å; Q326-V333 HydrophobicContact CB-CG1 4.45Å; Q326-V333 HydrophobicContact CB-CG2 4.19Å; Q326-V333 HydrophobicContact CG-CG2 4.02Å
327C78.1Confident65.9Low6 Ų6110.7 Ų110.74%0.04156%0.557CS.*  trans-82.3130.1177.5-173.70000112K329 C330 R332 Y340 H347C327-K329 PolarHBondContact O-N 3.37Å; C327-K329 PolarHBondContact SG-N 2.85Å; C327-K329 VanDerWaalsContact SG-N 3.44Å; C327-C330 WeakPolarHBondContact CB-O 3.45Å; C327-R332 PolarHBondContact N-O 2.84Å; C327-Y340 HydrophobicContact CB-CE2 4.27Å; C327-H347 VanDerWaalsContact SG-CD2 3.51Å; C327-H347 PolarHBondContact SG-NE2 3.02Å; C327-H347 VanDerWaalsContact SG-NE2 3.36Å
328P71.1Confident67.6Low114 Ų114111.7 Ų111.774%0.7455%0.548SS*.SBendtrans-73.5-10.2176.329.9-35.9000113.7
329K62.4Low69.3Low142 Ų142108.4 Ų108.462%0.61753%0.531SS*.SBendtrans-101.9-17.4-179-73179.4167.6-173.20114.5C327 H347C327-K329 PolarHBondContact O-N 3.37Å; C327-K329 PolarHBondContact SG-N 2.85Å; C327-K329 VanDerWaalsContact SG-N 3.44Å; K329-H347 WeakPolarHBondContact CB-CE1 3.43Å; K329-H347 WeakPolarHBondContact CB-ND1 3.35Å; K329-H347 HydrophobicContact CD-CB 3.6Å; K329-H347 PolarHBondContact NZ-O 3.05Å
330C73.5Confident71.1Confident45 Ų45102.2 Ų102.230%0.30450%0.503SS..SBendtrans-157152.2168.974.90000109.8C327 R332 H343C327-C330 WeakPolarHBondContact CB-O 3.45Å; C330-R332 PolarHBondContact O-N 2.94Å; C330-H343 PolarHBondContact SG-CE1 3.34Å; C330-H343 PolarHBondContact SG-NE2 3.29Å
331A73.5Confident73Confident92 Ų9299.1 Ų99.176%0.7648%0.483SS*.SBendtrans-68.116.1-170.600000116.6
332R76.5Confident74.2Confident160 Ų16095.6 Ų95.660%0.60447%0.465SS*.  trans-75.6144.3175.7-67.4-174.1178-171.1-0.7111.5C327 C330 F334C327-R332 PolarHBondContact N-O 2.84Å; C330-R332 PolarHBondContact O-N 2.94Å; R332-F334 HydrophobicContact CB-CE2 3.59Å; R332-F334 HydrophobicContact CB-CZ 3.8Å
333V77.3Confident75.8Confident73 Ų7391.1 Ų91.144%0.44244%0.444SS..EExtended strand (participates in β ladder)trans-127.2137.5-177.7-1690000109.3Y324 Q326Y324-V333 HydrophobicContact CD1-CG1 3.84Å; Y324-V333 HydrophobicContact CG-CG1 4.22Å; Q326-V333 HydrophobicContact CB-CG1 4.45Å; Q326-V333 HydrophobicContact CB-CG2 4.19Å; Q326-V333 HydrophobicContact CG-CG2 4.02Å
334F84.2Confident76.4Confident39 Ų3985.2 Ų85.217%0.17143%0.426CS..EExtended strand (participates in β ladder)trans-125.7133.9-171.4-61.2-93.4000111.5H325 R332 Q336 N339 Y340 H343H325-F334 PolarHBondContact N-O 3.47Å; H325-F334 PolarHBondContact O-N 3.34Å; R332-F334 HydrophobicContact CB-CE2 3.59Å; R332-F334 HydrophobicContact CB-CZ 3.8Å; F334-Q336 VanDerWaalsContact C-N 3.31Å; F334-Q336 PolarHBondContact O-N 2.75Å; F334-N339 HydrophobicContact CD1-CB 4.13Å; F334-Y340 HydrophobicContact CD2-CD2 4.03Å; F334-H343 HydrophobicContact CE1-CB 3.95Å; F334-H343 HydrophobicContact CE2-CB 3.96Å; F334-H343 AromaticContact CE2-CD2 3.19Å; F334-H343 WeakPolarHBondContact CE2-CD2 3.2Å; F334-H343 AromaticContact CE2-CG 3.53Å; F334-H343 AromaticContact CE2-NE2 3.72Å; F334-H343 HydrophobicContact CZ-CB 3.57Å; F334-H343 AromaticContact CZ-CD2 3.44Å; F334-H343 VanDerWaalsContact CZ-CD2 3.44Å; F334-H343 WeakPolarHBondContact CZ-CD2 3.38Å; F334-H343 AromaticContact CZ-CG 3.25Å; F334-H343 AromaticContact CZ-ND1 3.65Å; F334-H343 AromaticContact CZ-NE2 3.91Å
335R80.5Confident76.2Confident169 Ų16985.8 Ų85.864%0.63843%0.431SS*.SBendtrans-80.2-5.4177.8-78.2179.6170154.11.1114.8Y324Y324-R335 HydrophobicContact CD1-CG 3.94Å; Y324-R335 HydrophobicContact CE1-CG 3.39Å; Y324-R335 PolarHBondContact OH-NE 3.41Å; Y324-R335 PolarHBondContact OH-NH2 3.16Å; Y324-R335 VanDerWaalsContact OH-NH2 3.12Å
336Q79.8Confident75.5Confident119 Ų11987.1 Ų87.156%0.55644%0.438SS*.SBendtrans-139.8134.1-173.1-72.6172.3-23.300110.3F334 E338 N339 Y340F334-Q336 VanDerWaalsContact C-N 3.31Å; F334-Q336 PolarHBondContact O-N 2.75Å; Q336-E338 VanDerWaalsContact C-N 3.3Å; Q336-E338 PolarHBondContact O-N 2.81Å; Q336-N339 HydrophobicContact CB-CB 4.38Å; Q336-N339 PolarHBondContact O-N 2.88Å; Q336-N339 PolarHBondContact OE1-ND2 2.82Å; Q336-Y340 PolarHBondContact O-N 3.16Å
337L80.9Confident75Confident113 Ų11383.4 Ų83.459%0.59242%0.421SS*.Hα-helixtrans-62.1-35.4-177.5-176.762.4000112.8H325 Y340 A341H325-L337 WeakPolarHBondContact NE2-CA 3.31Å; L337-Y340 HydrophobicContact CD1-CD1 4.22Å; L337-Y340 WeakPolarHBondContact O-CB 3.41Å; L337-Y340 PolarHBondContact O-N 3.07Å; L337-A341 WeakPolarHBondContact O-CB 3.04Å; L337-A341 PolarHBondContact O-N 2.97Å
338E76.3Confident74.4Confident143 Ų14391.2 Ų91.267%0.66845%0.454SS*.Hα-helixtrans-67.2-46178.2179.9166.6-158.200112.2Q336 Y340 A341 N342Q336-E338 VanDerWaalsContact C-N 3.3Å; Q336-E338 PolarHBondContact O-N 2.81Å; E338-Y340 VanDerWaalsContact C-N 3.29Å; E338-Y340 PolarHBondContact O-N 3.36Å; E338-A341 PolarHBondContact O-N 3.31Å; E338-A341 VanDerWaalsContact O-N 3.16Å; E338-N342 WeakPolarHBondContact O-CB 3.46Å; E338-N342 PolarHBondContact O-N 3.27Å; E338-N342 PolarHBondContact O-ND2 2.81Å
339N77.4Confident74.5Confident64 Ų6488.7 Ų88.734%0.34243%0.434SS..Hα-helixtrans-64.2-36175.3-74.9-26.1000111.7F334 Q336 H343F334-N339 HydrophobicContact CD1-CB 4.13Å; Q336-N339 HydrophobicContact CB-CB 4.38Å; Q336-N339 PolarHBondContact O-N 2.88Å; Q336-N339 PolarHBondContact OE1-ND2 2.82Å; N339-H343 VanDerWaalsContact O-CB 3.23Å; N339-H343 WeakPolarHBondContact O-CB 3.42Å; N339-H343 PolarHBondContact O-N 3.4Å
340Y78.4Confident75.3Confident44 Ų4485.6 Ų85.617%0.17342%0.421CS..Hα-helixtrans-63.3-46170.1179.4-116000112.5H325 C327 F334 Q336 L337 E338 H343 L344H325-Y340 HydrophobicContact CB-CD1 3.74Å; H325-Y340 HydrophobicContact CB-CD2 3.51Å; H325-Y340 HydrophobicContact CB-CE1 4.2Å; H325-Y340 HydrophobicContact CB-CE2 4Å; H325-Y340 HydrophobicContact CB-CG 3.36Å; H325-Y340 AromaticContact CG-CG 4Å; C327-Y340 HydrophobicContact CB-CE2 4.27Å; F334-Y340 HydrophobicContact CD2-CD2 4.03Å; Q336-Y340 PolarHBondContact O-N 3.16Å; L337-Y340 HydrophobicContact CD1-CD1 4.22Å; L337-Y340 WeakPolarHBondContact O-CB 3.41Å; L337-Y340 PolarHBondContact O-N 3.07Å; E338-Y340 VanDerWaalsContact C-N 3.29Å; E338-Y340 PolarHBondContact O-N 3.36Å; Y340-H343 WeakPolarHBondContact O-CB 3.35Å; Y340-H343 PolarHBondContact O-N 3.23Å; Y340-L344 HydrophobicContact CD1-CD1 4.04Å; Y340-L344 HydrophobicContact CE1-CD1 3.49Å; Y340-L344 VanDerWaalsContact CE1-CD1 3.49Å; Y340-L344 HydrophobicContact CE1-CG 4.22Å; Y340-L344 HydrophobicContact CE2-CD1 4.28Å; Y340-L344 HydrophobicContact CE2-CD2 4.3Å; Y340-L344 HydrophobicContact CE2-CG 4.16Å; Y340-L344 WeakPolarHBondContact O-CG 3.43Å; Y340-L344 PolarHBondContact O-N 2.92Å
341A76.8Confident75.5Confident38 Ų3887.3 Ų87.331%0.31443%0.425SS..Hα-helixtrans-64.2-41.317800000112L337 E338 L344 K345L337-A341 WeakPolarHBondContact O-CB 3.04Å; L337-A341 PolarHBondContact O-N 2.97Å; E338-A341 PolarHBondContact O-N 3.31Å; E338-A341 VanDerWaalsContact O-N 3.16Å; A341-L344 PolarHBondContact O-N 3.2Å; A341-K345 WeakPolarHBondContact O-CG 3.34Å; A341-K345 PolarHBondContact O-N 3.18Å
342N74.4Confident75.8Confident58 Ų5883 Ų8331%0.3139%0.389SS..Hα-helixtrans-67.2-36.3174.8-69.6-24.9000111.7E338 K345 M346E338-N342 WeakPolarHBondContact O-CB 3.46Å; E338-N342 PolarHBondContact O-N 3.27Å; E338-N342 PolarHBondContact O-ND2 2.81Å; N342-K345 WeakPolarHBondContact O-CB 3.45Å; N342-K345 PolarHBondContact O-N 2.83Å; N342-K345 WeakPolarHBondContact OD1-CE 3.47Å; N342-K345 PolarHBondContact OD1-NZ 2.94Å; N342-M346 PolarHBondContact O-N 2.82Å
343H77.5Confident75.7Confident15 Ų1583 Ų837%0.06940%0.4CS..Hα-helixtrans-65.7-39.3170.2178.462.8000112.9C330 F334 N339 Y340 K345 M346 H347C330-H343 PolarHBondContact SG-CE1 3.34Å; C330-H343 PolarHBondContact SG-NE2 3.29Å; F334-H343 HydrophobicContact CE1-CB 3.95Å; F334-H343 HydrophobicContact CE2-CB 3.96Å; F334-H343 AromaticContact CE2-CD2 3.19Å; F334-H343 WeakPolarHBondContact CE2-CD2 3.2Å; F334-H343 AromaticContact CE2-CG 3.53Å; F334-H343 AromaticContact CE2-NE2 3.72Å; F334-H343 HydrophobicContact CZ-CB 3.57Å; F334-H343 AromaticContact CZ-CD2 3.44Å; F334-H343 VanDerWaalsContact CZ-CD2 3.44Å; F334-H343 WeakPolarHBondContact CZ-CD2 3.38Å; F334-H343 AromaticContact CZ-CG 3.25Å; F334-H343 AromaticContact CZ-ND1 3.65Å; F334-H343 AromaticContact CZ-NE2 3.91Å; N339-H343 VanDerWaalsContact O-CB 3.23Å; N339-H343 WeakPolarHBondContact O-CB 3.42Å; N339-H343 PolarHBondContact O-N 3.4Å; Y340-H343 WeakPolarHBondContact O-CB 3.35Å; Y340-H343 PolarHBondContact O-N 3.23Å; H343-K345 VanDerWaalsContact C-N 3.35Å; H343-M346 WeakPolarHBondContact O-CA 3.37Å; H343-M346 WeakPolarHBondContact O-CB 3.24Å; H343-M346 PolarHBondContact O-N 3.45Å; H343-H347 AromaticContact CD2-CD2 3.83Å; H343-H347 AromaticContact CD2-NE2 3.85Å; H343-H347 AromaticContact CE1-CD2 3.66Å; H343-H347 AromaticContact CE1-NE2 3.2Å; H343-H347 PolarHBondContact CE1-NE2 3.45Å; H343-H347 AromaticContact NE2-CD2 3.43Å; H343-H347 PolarHBondContact NE2-CD2 2.9Å; H343-H347 AromaticContact NE2-NE2 2.99Å; H343-H347 PolarHBondContact NE2-NE2 3.13Å; H343-H347 PolarHBondContact O-CD2 3.19Å; H343-H347 VanDerWaalsContact O-CD2 3.3Å; H343-H347 PolarHBondContact O-N 3.04Å
344L73Confident75.7Confident62 Ų6284.9 Ų84.933%0.32541%0.407SS..Hα-helixtrans-66-34.1172.4-72.1-179000112.5Y340 A341 M346 H347 K348Y340-L344 HydrophobicContact CD1-CD1 4.04Å; Y340-L344 HydrophobicContact CE1-CD1 3.49Å; Y340-L344 VanDerWaalsContact CE1-CD1 3.49Å; Y340-L344 HydrophobicContact CE1-CG 4.22Å; Y340-L344 HydrophobicContact CE2-CD1 4.28Å; Y340-L344 HydrophobicContact CE2-CD2 4.3Å; Y340-L344 HydrophobicContact CE2-CG 4.16Å; Y340-L344 WeakPolarHBondContact O-CG 3.43Å; Y340-L344 PolarHBondContact O-N 2.92Å; A341-L344 PolarHBondContact O-N 3.2Å; L344-M346 VanDerWaalsContact C-N 3.29Å; L344-H347 CarbonylContact O-C 3.47Å; L344-H347 WeakPolarHBondContact O-CA 3.35Å; L344-H347 WeakPolarHBondContact O-CB 3.36Å; L344-H347 PolarHBondContact O-N 3.42Å; L344-H347 VanDerWaalsContact O-N 3.16Å; L344-K348 PolarHBondContact O-N 3.41Å
345K72.2Confident75.5Confident127 Ų12785.5 Ų85.555%0.55242%0.416SS*.Hα-helixtrans-61.9-37.4167.4-66.1168.9-161.51670110.9A341 N342 H343 H347 K348 L349A341-K345 WeakPolarHBondContact O-CG 3.34Å; A341-K345 PolarHBondContact O-N 3.18Å; N342-K345 WeakPolarHBondContact O-CB 3.45Å; N342-K345 PolarHBondContact O-N 2.83Å; N342-K345 WeakPolarHBondContact OD1-CE 3.47Å; N342-K345 PolarHBondContact OD1-NZ 2.94Å; H343-K345 VanDerWaalsContact C-N 3.35Å; K345-H347 VanDerWaalsContact C-N 3.28Å; K345-H347 PolarHBondContact O-N 3.25Å; K345-K348 CarbonylContact O-C 3.55Å; K345-K348 WeakPolarHBondContact O-CA 3.48Å; K345-K348 VanDerWaalsContact O-CB 3.24Å; K345-K348 WeakPolarHBondContact O-CB 3.34Å; K345-K348 PolarHBondContact O-N 3.01Å; K345-L349 PolarHBondContact O-N 2.85Å
346M65.7Low75.2Confident81 Ų8179.4 Ų79.440%0.39941%0.406SS..Hα-helixtrans-62.3-34.7172.7-134.4-157.494.800112.4N342 H343 L344 K348 L349 M351N342-M346 PolarHBondContact O-N 2.82Å; H343-M346 WeakPolarHBondContact O-CA 3.37Å; H343-M346 WeakPolarHBondContact O-CB 3.24Å; H343-M346 PolarHBondContact O-N 3.45Å; L344-M346 VanDerWaalsContact C-N 3.29Å; M346-K348 PolarHBondContact O-N 3.18Å; M346-L349 HydrophobicContact CG-CD1 4.41Å; M346-L349 WeakPolarHBondContact O-CB 3.46Å; M346-L349 PolarHBondContact O-N 3.05Å; M346-L349 VanDerWaalsContact O-N 3.07Å; M346-M351 HydrophobicContact CE-CE 3.61Å
347H65.3Low75.1Confident48 Ų4879.7 Ų79.722%0.22241%0.406CS..THydrogen-bonded Turntrans-76.61169.7-75.8-74.3000115.1C327 K329 H343 L344 K345C327-H347 VanDerWaalsContact SG-CD2 3.51Å; C327-H347 PolarHBondContact SG-NE2 3.02Å; C327-H347 VanDerWaalsContact SG-NE2 3.36Å; K329-H347 WeakPolarHBondContact CB-CE1 3.43Å; K329-H347 WeakPolarHBondContact CB-ND1 3.35Å; K329-H347 HydrophobicContact CD-CB 3.6Å; K329-H347 PolarHBondContact NZ-O 3.05Å; H343-H347 AromaticContact CD2-CD2 3.83Å; H343-H347 AromaticContact CD2-NE2 3.85Å; H343-H347 AromaticContact CE1-CD2 3.66Å; H343-H347 AromaticContact CE1-NE2 3.2Å; H343-H347 PolarHBondContact CE1-NE2 3.45Å; H343-H347 AromaticContact NE2-CD2 3.43Å; H343-H347 PolarHBondContact NE2-CD2 2.9Å; H343-H347 AromaticContact NE2-NE2 2.99Å; H343-H347 PolarHBondContact NE2-NE2 3.13Å; H343-H347 PolarHBondContact O-CD2 3.19Å; H343-H347 VanDerWaalsContact O-CD2 3.3Å; H343-H347 PolarHBondContact O-N 3.04Å; L344-H347 CarbonylContact O-C 3.47Å; L344-H347 WeakPolarHBondContact O-CA 3.35Å; L344-H347 WeakPolarHBondContact O-CB 3.36Å; L344-H347 PolarHBondContact O-N 3.42Å; L344-H347 VanDerWaalsContact O-N 3.16Å; K345-H347 VanDerWaalsContact C-N 3.28Å; K345-H347 PolarHBondContact O-N 3.25Å
348K66.5Low75.1Confident169 Ų16977.5 Ų77.574%0.73540%0.397SS*.THydrogen-bonded Turntrans-99.8-8.9165.4-162179.6178.8-179.30111.2L344 K345 M346L344-K348 PolarHBondContact O-N 3.41Å; K345-K348 CarbonylContact O-C 3.55Å; K345-K348 WeakPolarHBondContact O-CA 3.48Å; K345-K348 VanDerWaalsContact O-CB 3.24Å; K345-K348 WeakPolarHBondContact O-CB 3.34Å; K345-K348 PolarHBondContact O-N 3.01Å; M346-K348 PolarHBondContact O-N 3.18Å
349L73.4Confident75.4Confident61 Ų6172.8 Ų72.832%0.31937%0.374SS..SBendtrans-88.6151.8166.5-54.6178.4000110.1K345 M346 F359 T360K345-L349 PolarHBondContact O-N 2.85Å; M346-L349 HydrophobicContact CG-CD1 4.41Å; M346-L349 WeakPolarHBondContact O-CB 3.46Å; M346-L349 PolarHBondContact O-N 3.05Å; M346-L349 VanDerWaalsContact O-N 3.07Å; L349-F359 CarbonylContact C-O 3.59Å; L349-F359 WeakPolarHBondContact CA-O 3.24Å; L349-T360 HydrophobicContact CD2-CG2 4Å
350F77.5Confident75.4Confident78 Ų7874.7 Ų74.734%0.34239%0.389SS..EExtended strand (participates in β ladder)trans-102.8110-179.7-60.5-90.1000108.4F359 K362 L365F350-F359 PolarHBondContact N-O 3.26Å; F350-F359 WeakPolarHBondContact O-CD2 3.22Å; F350-F359 PolarHBondContact O-N 3.49Å; F350-K362 HydrophobicContact CD1-CB 3.93Å; F350-K362 HydrophobicContact CD1-CG 4.12Å; F350-K362 HydrophobicContact CD2-CB 4.46Å; F350-K362 VanDerWaalsContact CD2-N 3.33Å; F350-K362 HydrophobicContact CE1-CB 3.68Å; F350-K362 HydrophobicContact CE1-CD 4.49Å; F350-K362 HydrophobicContact CE1-CG 4.02Å; F350-K362 HydrophobicContact CE2-CB 4.25Å; F350-K362 HydrophobicContact CG-CB 4.32Å; F350-K362 HydrophobicContact CZ-CB 3.85Å; F350-L365 HydrophobicContact CB-CB 3.81Å; F350-L365 HydrophobicContact CB-CD2 3.75Å; F350-L365 HydrophobicContact CB-CG 4.4Å
351M77.6Confident75.3Confident81 Ų8176.7 Ų76.740%0.39940%0.4SS..EExtended strand (participates in β ladder)trans-90135.9-176.9-179.7175.8-8000112M346 T358 L365M346-M351 HydrophobicContact CE-CE 3.61Å; M351-T358 HydrophobicContact CB-CG2 4.31Å; M351-T358 HydrophobicContact CE-CG2 3.75Å; M351-T358 HydrophobicContact CG-CG2 4.45Å; M351-L365 WeakPolarHBondContact O-CD2 3.46Å
352C80.3Confident75.1Confident1 Ų182.3 Ų82.31%0.00742%0.417CS..  trans-77.6118.9164-179.50000109.9L354 G356 K357 F359 L365 H368 M369C352-L354 PolarHBondContact O-N 2.93Å; C352-L354 PolarHBondContact SG-N 3.23Å; C352-G356 VanDerWaalsContact O-CA 3.27Å; C352-G356 WeakPolarHBondContact O-CA 3.26Å; C352-G356 PolarHBondContact O-N 3.43Å; C352-K357 PolarHBondContact N-O 2.74Å; C352-F359 HydrophobicContact CB-CE2 4.32Å; C352-L365 HydrophobicContact CB-CD1 3.71Å; C352-H368 PolarHBondContact SG-NE2 3.35Å; C352-M369 HydrophobicContact CB-SD 4.43Å
353L75.8Confident75.4Confident159 Ų15981.5 Ų81.583%0.83242%0.423SS*.THydrogen-bonded Turntrans-72-16.7179.4-58.2179.8000113.3
354L75.3Confident75.6Confident113 Ų11382.5 Ų82.559%0.59243%0.428SS*.THydrogen-bonded Turntrans-88.2-20.7-178.7-60.3175.7000114.1C352 M369 H372C352-L354 PolarHBondContact O-N 2.93Å; C352-L354 PolarHBondContact SG-N 3.23Å; L354-M369 HydrophobicContact CD1-CE 3.74Å; L354-M369 HydrophobicContact CG-CE 4.35Å; L354-H372 HydrophobicContact CD1-CB 3.57Å
355C81.4Confident76Confident52 Ų5281 Ų8135%0.35142%0.42SS..THydrogen-bonded Turntrans-145.511.6179.569.80000115.1K357 H368 H372C355-K357 PolarHBondContact O-N 2.88Å; C355-H368 PolarHBondContact SG-NE2 2.93Å; C355-H372 PolarHBondContact SG-NE2 2.77Å; C355-H372 VanDerWaalsContact SG-NE2 3.37Å
356G74.5Confident76.4Confident42 Ų4281.3 Ų81.343%0.43342%0.423SS..  trans70.7-10.1177.300000116.2C352 T358C352-G356 VanDerWaalsContact O-CA 3.27Å; C352-G356 WeakPolarHBondContact O-CA 3.26Å; C352-G356 PolarHBondContact O-N 3.43Å; G356-T358 PolarHBondContact O-N 3.25Å
357K77.9Confident77.1Confident124 Ų12479.5 Ų79.554%0.53941%0.412SS..  trans-61.3130.8-175.7-68.7178.7-175.3174.30111.9C352 C355 F359C352-K357 PolarHBondContact N-O 2.74Å; C355-K357 PolarHBondContact O-N 2.88Å; K357-F359 HydrophobicContact CB-CE2 3.76Å; K357-F359 HydrophobicContact CB-CZ 3.92Å; K357-F359 WeakPolarHBondContact O-CE2 3.46Å
358T80.9Confident78Confident67 Ų6778.5 Ų78.541%0.41141%0.408SS..EExtended strand (participates in β ladder)trans-103.3133.6-178.853.60000112.1M351 G356M351-T358 HydrophobicContact CB-CG2 4.31Å; M351-T358 HydrophobicContact CE-CG2 3.75Å; M351-T358 HydrophobicContact CG-CG2 4.45Å; G356-T358 PolarHBondContact O-N 3.25Å
359F80.9Confident78.7Confident44 Ų4473.4 Ų73.419%0.19339%0.387CS..EExtended strand (participates in β ladder)trans-118.1145.2-178.2-60.1-88.9000111.2L349 F350 C352 K357 Q361 N364 L365 H368L349-F359 CarbonylContact C-O 3.59Å; L349-F359 WeakPolarHBondContact CA-O 3.24Å; F350-F359 PolarHBondContact N-O 3.26Å; F350-F359 WeakPolarHBondContact O-CD2 3.22Å; F350-F359 PolarHBondContact O-N 3.49Å; C352-F359 HydrophobicContact CB-CE2 4.32Å; K357-F359 HydrophobicContact CB-CE2 3.76Å; K357-F359 HydrophobicContact CB-CZ 3.92Å; K357-F359 WeakPolarHBondContact O-CE2 3.46Å; F359-Q361 VanDerWaalsContact C-N 3.29Å; F359-Q361 PolarHBondContact O-N 2.9Å; F359-N364 HydrophobicContact CB-CB 4.1Å; F359-N364 HydrophobicContact CD1-CB 4.02Å; F359-N364 HydrophobicContact CG-CB 4.37Å; F359-L365 HydrophobicContact CB-CB 4.3Å; F359-L365 HydrophobicContact CD2-CB 4Å; F359-L365 HydrophobicContact CD2-CD1 3.88Å; F359-L365 HydrophobicContact CE2-CD1 4.08Å; F359-L365 HydrophobicContact CG-CB 4.32Å; F359-H368 HydrophobicContact CE1-CB 3.94Å; F359-H368 HydrophobicContact CE2-CB 4.06Å; F359-H368 AromaticContact CE2-CD2 3.22Å; F359-H368 WeakPolarHBondContact CE2-CD2 3.49Å; F359-H368 AromaticContact CE2-CG 3.77Å; F359-H368 AromaticContact CE2-NE2 3.98Å; F359-H368 HydrophobicContact CZ-CB 3.56Å; F359-H368 AromaticContact CZ-CD2 3.24Å; F359-H368 WeakPolarHBondContact CZ-CD2 3.41Å; F359-H368 AromaticContact CZ-CG 3.32Å; F359-H368 AromaticContact CZ-NE2 3.94Å
360T77.9Confident79.3Confident105 Ų10572.9 Ų72.964%0.64438%0.381SS*.SBendtrans-74.5-15.1179.649.20000114.3L349L349-T360 HydrophobicContact CD2-CG2 4Å
361Q76.4Confident79.6Confident86 Ų8673.5 Ų73.540%0.40239%0.391SS..SBendtrans-139.3145.8-175.4-64.3174.5-16.300110.8F359 G363 N364 L365F359-Q361 VanDerWaalsContact C-N 3.29Å; F359-Q361 PolarHBondContact O-N 2.9Å; Q361-G363 VanDerWaalsContact C-N 3.35Å; Q361-G363 PolarHBondContact O-N 3.34Å; Q361-N364 HydrophobicContact CB-CB 4.36Å; Q361-N364 PolarHBondContact O-N 2.86Å; Q361-N364 VanDerWaalsContact O-N 3.17Å; Q361-N364 PolarHBondContact OE1-ND2 3.22Å; Q361-L365 PolarHBondContact O-N 2.85Å
362K73.3Confident79.7Confident155 Ų15573.6 Ų73.667%0.67439%0.39SS*.Hα-helixtrans-60.3-42.1178.5-168.9-176.5176-170.70112.1F350 N364 L365 H366F350-K362 HydrophobicContact CD1-CB 3.93Å; F350-K362 HydrophobicContact CD1-CG 4.12Å; F350-K362 HydrophobicContact CD2-CB 4.46Å; F350-K362 VanDerWaalsContact CD2-N 3.33Å; F350-K362 HydrophobicContact CE1-CB 3.68Å; F350-K362 HydrophobicContact CE1-CD 4.49Å; F350-K362 HydrophobicContact CE1-CG 4.02Å; F350-K362 HydrophobicContact CE2-CB 4.25Å; F350-K362 HydrophobicContact CG-CB 4.32Å; F350-K362 HydrophobicContact CZ-CB 3.85Å; K362-N364 VanDerWaalsContact C-N 3.29Å; K362-N364 PolarHBondContact O-N 3.05Å; K362-L365 PolarHBondContact O-N 3.02Å; K362-H366 PolarHBondContact O-N 3.24Å
363G79.2Confident79.7Confident42 Ų4276.6 Ų76.643%0.43342%0.415SS..Hα-helixtrans-60.1-36.1176.300000113Q361 H366 R367Q361-G363 VanDerWaalsContact C-N 3.35Å; Q361-G363 PolarHBondContact O-N 3.34Å; G363-H366 PolarHBondContact O-N 3.24Å; G363-R367 WeakPolarHBondContact O-CB 3.41Å; G363-R367 PolarHBondContact O-N 3Å
364N81.9Confident80Confident36 Ų3671.5 Ų71.519%0.19340%0.401CS..Hα-helixtrans-70.4-38.2176.3-72.8-28.9000112.7F359 Q361 K362 R367 H368F359-N364 HydrophobicContact CB-CB 4.1Å; F359-N364 HydrophobicContact CD1-CB 4.02Å; F359-N364 HydrophobicContact CG-CB 4.37Å; Q361-N364 HydrophobicContact CB-CB 4.36Å; Q361-N364 PolarHBondContact O-N 2.86Å; Q361-N364 VanDerWaalsContact O-N 3.17Å; Q361-N364 PolarHBondContact OE1-ND2 3.22Å; K362-N364 VanDerWaalsContact C-N 3.29Å; K362-N364 PolarHBondContact O-N 3.05Å; N364-R367 PolarHBondContact OD1-NH2 3.38Å; N364-H368 WeakPolarHBondContact O-CB 3.4Å; N364-H368 PolarHBondContact O-N 3.29Å
365L81.5Confident80.2Confident30 Ų3070.6 Ų70.616%0.15740%0.396CS..Hα-helixtrans-62-49.6169.5173.160.2000110.9F350 M351 C352 F359 Q361 K362 R367 H368 M369F350-L365 HydrophobicContact CB-CB 3.81Å; F350-L365 HydrophobicContact CB-CD2 3.75Å; F350-L365 HydrophobicContact CB-CG 4.4Å; M351-L365 WeakPolarHBondContact O-CD2 3.46Å; C352-L365 HydrophobicContact CB-CD1 3.71Å; F359-L365 HydrophobicContact CB-CB 4.3Å; F359-L365 HydrophobicContact CD2-CB 4Å; F359-L365 HydrophobicContact CD2-CD1 3.88Å; F359-L365 HydrophobicContact CE2-CD1 4.08Å; F359-L365 HydrophobicContact CG-CB 4.32Å; Q361-L365 PolarHBondContact O-N 2.85Å; K362-L365 PolarHBondContact O-N 3.02Å; L365-R367 PolarHBondContact O-N 3.02Å; L365-H368 CarbonylContact O-C 3.55Å; L365-H368 WeakPolarHBondContact O-CA 3.33Å; L365-H368 WeakPolarHBondContact O-CB 3.36Å; L365-H368 PolarHBondContact O-N 3.42Å; L365-M369 HydrophobicContact CD1-CG 4.12Å; L365-M369 HydrophobicContact CD1-SD 4.12Å; L365-M369 HydrophobicContact CG-CG 4.37Å; L365-M369 WeakPolarHBondContact O-CG 3.44Å; L365-M369 PolarHBondContact O-N 3.35Å
366H80.3Confident80.4Confident133 Ų13373.4 Ų73.462%0.61640%0.402SS*.Hα-helixtrans-61.9-42.3-178.9-170.894.4000112K362 G363 H368 M369 R370K362-H366 PolarHBondContact O-N 3.24Å; G363-H366 PolarHBondContact O-N 3.24Å; H366-H368 VanDerWaalsContact C-N 3.27Å; H366-H368 PolarHBondContact O-N 3.43Å; H366-M369 PolarHBondContact O-N 2.81Å; H366-R370 PolarHBondContact O-N 2.95Å
367R81.7Confident80.7Confident44 Ų4475 Ų7517%0.16640%0.404CS..Hα-helixtrans-57.7-38.3171.8172.5158.164.4167.6-20.5112.2G363 N364 L365 Q389 C458G363-R367 WeakPolarHBondContact O-CB 3.41Å; G363-R367 PolarHBondContact O-N 3Å; N364-R367 PolarHBondContact OD1-NH2 3.38Å; L365-R367 PolarHBondContact O-N 3.02Å; R367-Q389 HydrophobicContact CG-CG 4.42Å; R367-C458 PolarHBondContact NH2-O 3.17Å
368H84.6Confident81.1Confident26 Ų2671.8 Ų71.812%0.1239%0.391CS..Hα-helixtrans-73.3-35.8175.2165.955.9000113.4C352 C355 F359 N364 L365 H366 R370 V371 H372C352-H368 PolarHBondContact SG-NE2 3.35Å; C355-H368 PolarHBondContact SG-NE2 2.93Å; F359-H368 HydrophobicContact CE1-CB 3.94Å; F359-H368 HydrophobicContact CE2-CB 4.06Å; F359-H368 AromaticContact CE2-CD2 3.22Å; F359-H368 WeakPolarHBondContact CE2-CD2 3.49Å; F359-H368 AromaticContact CE2-CG 3.77Å; F359-H368 AromaticContact CE2-NE2 3.98Å; F359-H368 HydrophobicContact CZ-CB 3.56Å; F359-H368 AromaticContact CZ-CD2 3.24Å; F359-H368 WeakPolarHBondContact CZ-CD2 3.41Å; F359-H368 AromaticContact CZ-CG 3.32Å; F359-H368 AromaticContact CZ-NE2 3.94Å; N364-H368 WeakPolarHBondContact O-CB 3.4Å; N364-H368 PolarHBondContact O-N 3.29Å; L365-H368 CarbonylContact O-C 3.55Å; L365-H368 WeakPolarHBondContact O-CA 3.33Å; L365-H368 WeakPolarHBondContact O-CB 3.36Å; L365-H368 PolarHBondContact O-N 3.42Å; H366-H368 VanDerWaalsContact C-N 3.27Å; H366-H368 PolarHBondContact O-N 3.43Å; H368-R370 PolarHBondContact O-N 3.25Å; H368-V371 VanDerWaalsContact O-CB 3.26Å; H368-V371 WeakPolarHBondContact O-CB 3.2Å; H368-V371 WeakPolarHBondContact O-CG2 3.26Å; H368-V371 PolarHBondContact O-N 3.19Å; H368-H372 AromaticContact CE1-CD2 3.71Å; H368-H372 AromaticContact CE1-NE2 3.51Å; H368-H372 AromaticContact NE2-CD2 3.76Å; H368-H372 AromaticContact NE2-NE2 3.54Å
369M81.1Confident81.4Confident63 Ų6374 Ų7431%0.3140%0.396SS..Hα-helixtrans-59.3-29.6176.6-68.5-57-64.900112.6C352 L354 L365 H366 V371 H372 A373C352-M369 HydrophobicContact CB-SD 4.43Å; L354-M369 HydrophobicContact CD1-CE 3.74Å; L354-M369 HydrophobicContact CG-CE 4.35Å; L365-M369 HydrophobicContact CD1-CG 4.12Å; L365-M369 HydrophobicContact CD1-SD 4.12Å; L365-M369 HydrophobicContact CG-CG 4.37Å; L365-M369 WeakPolarHBondContact O-CG 3.44Å; L365-M369 PolarHBondContact O-N 3.35Å; H366-M369 PolarHBondContact O-N 2.81Å; M369-V371 PolarHBondContact O-N 3.48Å; M369-H372 PolarHBondContact O-N 3.33Å; M369-A373 PolarHBondContact O-N 3.39Å
370R86Confident81.8Confident49 Ų4972 Ų7219%0.18539%0.388CS..Hα-helixtrans-55.6-29.3170.5-70.2-170.1-76.5-157.5-8.8113.6H366 H368 G374 I375H366-R370 PolarHBondContact O-N 2.95Å; H368-R370 PolarHBondContact O-N 3.25Å; R370-G374 CarbonylContact O-C 3.34Å; R370-G374 PolarHBondContact O-N 2.98Å; R370-I375 HydrophobicContact CB-CB 4.44Å; R370-I375 HydrophobicContact CG-CB 4.41Å; R370-I375 PolarHBondContact O-N 2.78Å
371V83.2Confident82.2Confident91 Ų9174.9 Ų74.955%0.55240%0.399SS*.Hα-helixtrans-68.6-40.8175.7-176.10000111.1H368 M369 G374H368-V371 VanDerWaalsContact O-CB 3.26Å; H368-V371 WeakPolarHBondContact O-CB 3.2Å; H368-V371 WeakPolarHBondContact O-CG2 3.26Å; H368-V371 PolarHBondContact O-N 3.19Å; M369-V371 PolarHBondContact O-N 3.48Å; V371-G374 PolarHBondContact O-N 3.3Å
372H80Confident82.6Confident83 Ų8375.4 Ų75.438%0.38440%0.404SS..Hα-helixtrans-72.1-33.9176.8-75.7-75.1000112.7L354 C355 H368 M369 G374L354-H372 HydrophobicContact CD1-CB 3.57Å; C355-H372 PolarHBondContact SG-NE2 2.77Å; C355-H372 VanDerWaalsContact SG-NE2 3.37Å; H368-H372 AromaticContact CE1-CD2 3.71Å; H368-H372 AromaticContact CE1-NE2 3.51Å; H368-H372 AromaticContact NE2-CD2 3.76Å; H368-H372 AromaticContact NE2-NE2 3.54Å; M369-H372 PolarHBondContact O-N 3.33Å; H372-G374 VanDerWaalsContact C-N 3.31Å
373A79.9Confident83.2Confident65 Ų6570.3 Ų70.354%0.53739%0.387SS..THydrogen-bonded Turntrans-83.4-2.2176.200000114M369 I375M369-A373 PolarHBondContact O-N 3.39Å; A373-I375 HydrophobicContact CB-CD1 3.75Å; A373-I375 HydrophobicContact CB-CG1 3.78Å; A373-I375 PolarHBondContact O-N 2.88Å; A373-I375 VanDerWaalsContact O-N 3.09Å
374G81.5Confident83.4Confident51 Ų5170.1 Ų70.153%0.52639%0.385SS..THydrogen-bonded Turntrans68.3-0.8-175.400000115.8R370 V371 H372 K376R370-G374 CarbonylContact O-C 3.34Å; R370-G374 PolarHBondContact O-N 2.98Å; V371-G374 PolarHBondContact O-N 3.3Å; H372-G374 VanDerWaalsContact C-N 3.31Å; G374-K376 PolarHBondContact O-N 3.22Å
375I80.1Confident83.6Confident94 Ų9474.3 Ų74.348%0.48240%0.401SS..  trans-68.9115.5-170.4-58172.8000110.9R370 A373 P377R370-I375 HydrophobicContact CB-CB 4.44Å; R370-I375 HydrophobicContact CG-CB 4.41Å; R370-I375 PolarHBondContact O-N 2.78Å; A373-I375 HydrophobicContact CB-CD1 3.75Å; A373-I375 HydrophobicContact CB-CG1 3.78Å; A373-I375 PolarHBondContact O-N 2.88Å; A373-I375 VanDerWaalsContact O-N 3.09Å; I375-P377 WeakPolarHBondContact O-CD 3.35Å
376K85Confident83.9Confident112 Ų11275.5 Ų75.549%0.48741%0.41SS..  trans-118.781.8178.2-68.1169.8175-174.40110.1G374 F378 T386 F387 T388G374-K376 PolarHBondContact O-N 3.22Å; K376-F378 VanDerWaalsContact C-N 3.27Å; K376-F378 PolarHBondContact O-N 2.95Å; K376-T386 WeakPolarHBondContact CD-OG1 3.46Å; K376-F387 CarbonylContact C-O 3.57Å; K376-F387 VanDerWaalsContact C-O 3.22Å; K376-F387 VanDerWaalsContact CA-O 3.26Å; K376-F387 WeakPolarHBondContact CA-O 3.31Å; K376-T388 HydrophobicContact CG-CG2 3.81Å
377P81.5Confident84.1Confident74 Ų7471.3 Ų71.348%0.48139%0.39SS..  trans-81.5-1.4-167.233.8-34.4000114.1I375 F387I375-P377 WeakPolarHBondContact O-CD 3.35Å; P377-F387 WeakPolarHBondContact CD-O 3.39Å
378F86.1Confident84.2Confident58 Ų5870.9 Ų70.925%0.25439%0.393SS..EExtended strand (participates in β ladder)trans-110.3111.9-179.2-56.5-74.6000109.6K376 T386 F387 K390 L393K376-F378 VanDerWaalsContact C-N 3.27Å; K376-F378 PolarHBondContact O-N 2.95Å; F378-T386 CarbonylContact O-C 3.5Å; F378-T386 WeakPolarHBondContact O-CA 3.37Å; F378-F387 HydrophobicContact CB-CB 4.37Å; F378-F387 PolarHBondContact N-O 3.33Å; F378-F387 PolarHBondContact O-N 2.88Å; F378-K390 HydrophobicContact CD1-CB 4.17Å; F378-K390 HydrophobicContact CE1-CB 3.86Å; F378-K390 HydrophobicContact CE1-CG 4.46Å; F378-K390 HydrophobicContact CE2-CB 4.49Å; F378-K390 HydrophobicContact CZ-CB 4.03Å; F378-L393 HydrophobicContact CB-CB 4.18Å; F378-L393 HydrophobicContact CB-CD2 3.9Å
379Q88.3Confident84.2Confident112 Ų11272.3 Ų72.352%0.52340%0.399SS..EExtended strand (participates in β ladder)trans-102.8147.4178.8-167.516626.800111.5G384 K385 T386 L393Q379-G384 WeakPolarHBondContact CG-O 3.45Å; Q379-G384 PolarHBondContact NE2-O 3.36Å; Q379-K385 CarbonylContact C-O 3.55Å; Q379-T386 HydrophobicContact CB-CG2 4.07Å; Q379-T386 HydrophobicContact CG-CG2 3.86Å; Q379-L393 VanDerWaalsContact O-CD2 3.31Å; Q379-L393 WeakPolarHBondContact O-CD2 3.35Å
380C88.8Confident84.3Confident2 Ų275.6 Ų75.61%0.01441%0.412CS..  trans-89115.6169.7178.60000110.3I382 C383 G384 K385 F387 L393 H400C380-I382 PolarHBondContact O-N 2.81Å; C380-C383 PolarHBondContact O-N 2.83Å; C380-G384 VanDerWaalsContact O-CA 3.32Å; C380-G384 WeakPolarHBondContact O-CA 3.47Å; C380-G384 PolarHBondContact O-N 2.92Å; C380-K385 PolarHBondContact N-O 3.2Å; C380-F387 HydrophobicContact CB-CE2 4.32Å; C380-L393 HydrophobicContact CB-CD1 3.67Å; C380-H400 PolarHBondContact SG-NE2 2.93Å; C380-H400 VanDerWaalsContact SG-NE2 3.45Å
381N85.9Confident84.1Confident166 Ų16675.2 Ų75.289%0.88842%0.416SS*.THydrogen-bonded Turntrans-63.2-25.4-178.4-59.83.6000113
382I83.9Confident84.1Confident97 Ų9772.7 Ų72.750%0.49740%0.403SS..THydrogen-bonded Turntrans-80.1-30.1-176.2-57.2172.6000112.4C380 H400C380-I382 PolarHBondContact O-N 2.81Å; I382-H400 HydrophobicContact CD1-CB 3.56Å; I382-H400 HydrophobicContact CG2-CB 4.26Å
383C86.6Confident84.4Confident49 Ų4970.3 Ų70.333%0.33139%0.393SS..THydrogen-bonded Turntrans-144.315-174.471.60000115.6C380 K385 H396 H400C380-C383 PolarHBondContact O-N 2.83Å; C383-K385 PolarHBondContact O-N 3.21Å; C383-H396 PolarHBondContact SG-NE2 2.96Å; C383-H400 VanDerWaalsContact SG-CE1 3.54Å; C383-H400 PolarHBondContact SG-NE2 3.07Å
384G83.8Confident84.6Confident37 Ų3770 Ų7038%0.38138%0.382SS..  trans68.2-7.1175.700000116.6Q379 C380Q379-G384 WeakPolarHBondContact CG-O 3.45Å; Q379-G384 PolarHBondContact NE2-O 3.36Å; C380-G384 VanDerWaalsContact O-CA 3.32Å; C380-G384 WeakPolarHBondContact O-CA 3.47Å; C380-G384 PolarHBondContact O-N 2.92Å
385K86.4Confident84.6Confident124 Ų12470 Ų7054%0.53937%0.37SS..  trans-64.1136.1-175.9-69.8176.3-174167.80112Q379 C380 C383 F387Q379-K385 CarbonylContact C-O 3.55Å; C380-K385 PolarHBondContact N-O 3.2Å; C383-K385 PolarHBondContact O-N 3.21Å; K385-F387 HydrophobicContact CB-CE2 3.89Å; K385-F387 HydrophobicContact CB-CZ 4.1Å; K385-F387 WeakPolarHBondContact O-CE2 3.35Å
386T87.4Confident84.7Confident56 Ų5666.5 Ų66.534%0.34435%0.351SS..EExtended strand (participates in β ladder)trans-110.6143.1-175.456.10000113.4K376 F378 Q379K376-T386 WeakPolarHBondContact CD-OG1 3.46Å; F378-T386 CarbonylContact O-C 3.5Å; F378-T386 WeakPolarHBondContact O-CA 3.37Å; Q379-T386 HydrophobicContact CB-CG2 4.07Å; Q379-T386 HydrophobicContact CG-CG2 3.86Å
387F85.1Confident84.6Confident45 Ų4564 Ų6420%0.19734%0.341CS..EExtended strand (participates in β ladder)trans-131.6152-171.5-59.8-89.5000111.9K376 P377 F378 C380 K385 L393 H396K376-F387 CarbonylContact C-O 3.57Å; K376-F387 VanDerWaalsContact C-O 3.22Å; K376-F387 VanDerWaalsContact CA-O 3.26Å; K376-F387 WeakPolarHBondContact CA-O 3.31Å; P377-F387 WeakPolarHBondContact CD-O 3.39Å; F378-F387 HydrophobicContact CB-CB 4.37Å; F378-F387 PolarHBondContact N-O 3.33Å; F378-F387 PolarHBondContact O-N 2.88Å; C380-F387 HydrophobicContact CB-CE2 4.32Å; K385-F387 HydrophobicContact CB-CE2 3.89Å; K385-F387 HydrophobicContact CB-CZ 4.1Å; K385-F387 WeakPolarHBondContact O-CE2 3.35Å; F387-L393 HydrophobicContact CB-CB 4.43Å; F387-L393 HydrophobicContact CD2-CB 4.11Å; F387-L393 HydrophobicContact CD2-CD1 3.95Å; F387-L393 HydrophobicContact CE2-CD1 4.11Å; F387-L393 HydrophobicContact CG-CB 4.38Å; F387-H396 HydrophobicContact CE1-CB 4.04Å; F387-H396 HydrophobicContact CE2-CB 4.15Å; F387-H396 AromaticContact CE2-CD2 3.39Å; F387-H396 WeakPolarHBondContact CE2-CD2 3.32Å; F387-H396 AromaticContact CE2-CG 3.89Å; F387-H396 HydrophobicContact CZ-CB 3.61Å; F387-H396 AromaticContact CZ-CD2 3.31Å; F387-H396 WeakPolarHBondContact CZ-CD2 3.42Å; F387-H396 AromaticContact CZ-CG 3.37Å
388T82.6Confident84.5Confident35 Ų3561.4 Ų61.422%0.21532%0.323CS..SBendtrans-84.4-10.6178.154.30000113.9K376K376-T388 HydrophobicContact CG-CG2 3.81Å
389Q84.1Confident84.1Confident55 Ų5563.2 Ų63.226%0.25734%0.335SS..SBendtrans-144.7141.2-174.3-53.6-173.16300111.9R367 C391 S392 L393R367-Q389 HydrophobicContact CG-CG 4.42Å; Q389-C391 VanDerWaalsContact C-N 3.35Å; Q389-C391 PolarHBondContact O-N 3.16Å; Q389-S392 PolarHBondContact O-N 3.29Å; Q389-S392 VanDerWaalsContact O-N 3.15Å; Q389-L393 PolarHBondContact O-N 3.27Å
390K84Confident83.6Confident133 Ų13361.2 Ų61.258%0.57833%0.326SS*.Hα-helixtrans-59.8-40.9178.7-172.1179.1179.8-178.70112.5F378 S392 L393 L394F378-K390 HydrophobicContact CD1-CB 4.17Å; F378-K390 HydrophobicContact CE1-CB 3.86Å; F378-K390 HydrophobicContact CE1-CG 4.46Å; F378-K390 HydrophobicContact CE2-CB 4.49Å; F378-K390 HydrophobicContact CZ-CB 4.03Å; K390-S392 VanDerWaalsContact C-N 3.3Å; K390-S392 PolarHBondContact O-N 2.98Å; K390-L393 WeakPolarHBondContact O-CB 3.29Å; K390-L393 PolarHBondContact O-N 3.49Å; K390-L394 PolarHBondContact O-N 3.09Å
391C81.6Confident83Confident40 Ų4064.2 Ų64.227%0.2735%0.346SS..Hα-helixtrans-62.7-33.9176.755.10000113.1Q389 L394 D395Q389-C391 VanDerWaalsContact C-N 3.35Å; Q389-C391 PolarHBondContact O-N 3.16Å; C391-L394 PolarHBondContact O-N 3.39Å; C391-D395 WeakPolarHBondContact O-CB 3.49Å; C391-D395 PolarHBondContact O-N 3.31Å
392S83.4Confident82.4Confident39 Ų3958.3 Ų58.327%0.27333%0.325SS..Hα-helixtrans-73.3-30.2175.4-53.40000112.9Q389 K390 H396Q389-S392 PolarHBondContact O-N 3.29Å; Q389-S392 VanDerWaalsContact O-N 3.15Å; K390-S392 VanDerWaalsContact C-N 3.3Å; K390-S392 PolarHBondContact O-N 2.98Å; S392-H396 VanDerWaalsContact O-CB 3.3Å; S392-H396 WeakPolarHBondContact O-CB 3.45Å; S392-H396 PolarHBondContact O-N 3.04Å
393L86.4Confident82Confident33 Ų3357.7 Ų57.717%0.17332%0.323CS..Hα-helixtrans-69.4-41.9169172.161.2000111.1F378 Q379 C380 F387 Q389 K390 H396 H397F378-L393 HydrophobicContact CB-CB 4.18Å; F378-L393 HydrophobicContact CB-CD2 3.9Å; Q379-L393 VanDerWaalsContact O-CD2 3.31Å; Q379-L393 WeakPolarHBondContact O-CD2 3.35Å; C380-L393 HydrophobicContact CB-CD1 3.67Å; F387-L393 HydrophobicContact CB-CB 4.43Å; F387-L393 HydrophobicContact CD2-CB 4.11Å; F387-L393 HydrophobicContact CD2-CD1 3.95Å; F387-L393 HydrophobicContact CE2-CD1 4.11Å; F387-L393 HydrophobicContact CG-CB 4.38Å; Q389-L393 PolarHBondContact O-N 3.27Å; K390-L393 WeakPolarHBondContact O-CB 3.29Å; K390-L393 PolarHBondContact O-N 3.49Å; L393-H396 CarbonylContact O-C 3.45Å; L393-H396 WeakPolarHBondContact O-CB 3.43Å; L393-H396 PolarHBondContact O-N 3.29Å; L393-H397 PolarHBondContact O-N 3.05Å
394L83.9Confident81.4Confident58 Ų5861.5 Ų61.530%0.30433%0.334SS..Hα-helixtrans-65.6-48.7177.8-177.558.6000112K390 C391 H396 H397 N398 Y452K390-L394 PolarHBondContact O-N 3.09Å; C391-L394 PolarHBondContact O-N 3.39Å; L394-H396 PolarHBondContact O-N 2.64Å; L394-H397 WeakPolarHBondContact O-CB 3.44Å; L394-H397 PolarHBondContact O-N 3.16Å; L394-N398 PolarHBondContact O-N 3.1Å; L394-N398 PolarHBondContact O-OD1 2.87Å; L394-Y452 HydrophobicContact CD1-CD1 4.4Å; L394-Y452 HydrophobicContact CD1-CE1 3.62Å
395D80.8Confident81Confident51 Ų5163.1 Ų63.127%0.27334%0.338SS..Hα-helixtrans-49.9-45.5170.6-89.8-25.5000110.2C391 H417C391-D395 WeakPolarHBondContact O-CB 3.49Å; C391-D395 PolarHBondContact O-N 3.31Å; D395-H417 PolarHBondContact O-CE1 3.24Å; D395-H417 PolarHBondContact O-ND1 2.6Å
396H84.1Confident80.7Confident20 Ų2058.1 Ų58.19%0.09332%0.316CS..Hα-helixtrans-68.5-33.8178.2175.653.9000113.8C383 F387 S392 L393 L394 N398 L399 H400C383-H396 PolarHBondContact SG-NE2 2.96Å; F387-H396 HydrophobicContact CE1-CB 4.04Å; F387-H396 HydrophobicContact CE2-CB 4.15Å; F387-H396 AromaticContact CE2-CD2 3.39Å; F387-H396 WeakPolarHBondContact CE2-CD2 3.32Å; F387-H396 AromaticContact CE2-CG 3.89Å; F387-H396 HydrophobicContact CZ-CB 3.61Å; F387-H396 AromaticContact CZ-CD2 3.31Å; F387-H396 WeakPolarHBondContact CZ-CD2 3.42Å; F387-H396 AromaticContact CZ-CG 3.37Å; S392-H396 VanDerWaalsContact O-CB 3.3Å; S392-H396 WeakPolarHBondContact O-CB 3.45Å; S392-H396 PolarHBondContact O-N 3.04Å; L393-H396 CarbonylContact O-C 3.45Å; L393-H396 WeakPolarHBondContact O-CB 3.43Å; L393-H396 PolarHBondContact O-N 3.29Å; L394-H396 PolarHBondContact O-N 2.64Å; H396-N398 VanDerWaalsContact C-N 3.28Å; H396-N398 PolarHBondContact O-N 2.91Å; H396-L399 WeakPolarHBondContact O-CB 3.42Å; H396-L399 PolarHBondContact O-N 3.37Å; H396-L399 VanDerWaalsContact O-N 3.11Å; H396-H400 AromaticContact CD2-NE2 3.88Å; H396-H400 AromaticContact CE1-CE1 3.98Å; H396-H400 AromaticContact CE1-NE2 3.26Å; H396-H400 PolarHBondContact CE1-NE2 3.26Å; H396-H400 VanDerWaalsContact CE1-NE2 3.26Å; H396-H400 AromaticContact NE2-CD2 3.98Å; H396-H400 AromaticContact NE2-NE2 3.07Å; H396-H400 PolarHBondContact NE2-NE2 3.49Å
397H81.6Confident80.3Confident60 Ų6058.3 Ų58.328%0.27832%0.319SS..Hα-helixtrans-61.4-38.8178.4-162.7-74.4000111.8L393 L394 L399 H400 S401L393-H397 PolarHBondContact O-N 3.05Å; L394-H397 WeakPolarHBondContact O-CB 3.44Å; L394-H397 PolarHBondContact O-N 3.16Å; H397-L399 PolarHBondContact O-N 3.15Å; H397-H400 PolarHBondContact O-N 3.38Å; H397-S401 PolarHBondContact ND1-OG 3.17Å; H397-S401 PolarHBondContact O-N 3.45Å
398N79.9Confident80.1Confident19 Ų1956.2 Ų56.210%0.10231%0.31CS..Hα-helixtrans-56.4-24.4176.1-57.4-7.9000113L394 H396 H400 G402 D403 A416L394-N398 PolarHBondContact O-N 3.1Å; L394-N398 PolarHBondContact O-OD1 2.87Å; H396-N398 VanDerWaalsContact C-N 3.28Å; H396-N398 PolarHBondContact O-N 2.91Å; N398-H400 VanDerWaalsContact C-N 3.33Å; N398-G402 CarbonylContact O-C 3.53Å; N398-G402 WeakPolarHBondContact O-CA 3.35Å; N398-G402 PolarHBondContact O-N 3.23Å; N398-D403 HydrophobicContact CB-CB 4.1Å; N398-D403 PolarHBondContact O-N 3.24Å; N398-D403 VanDerWaalsContact O-N 3.11Å; N398-A416 PolarHBondContact ND2-O 2.83Å
399L78.3Confident80Confident96 Ų9658.6 Ų58.650%0.50332%0.321SS..Hα-helixtrans-73.8-22.7175.6-62.8173.2000113.5H396 H397 A416H396-L399 WeakPolarHBondContact O-CB 3.42Å; H396-L399 PolarHBondContact O-N 3.37Å; H396-L399 VanDerWaalsContact O-N 3.11Å; H397-L399 PolarHBondContact O-N 3.15Å; L399-A416 HydrophobicContact CD2-CB 3.89Å
400H77.6Confident79.7Confident71 Ų7161.2 Ų61.233%0.32933%0.33SS..Hα-helixtrans-89.1-42.6175.5-58.7-73.4000110.9C380 I382 C383 H396 H397 N398 G402C380-H400 PolarHBondContact SG-NE2 2.93Å; C380-H400 VanDerWaalsContact SG-NE2 3.45Å; I382-H400 HydrophobicContact CD1-CB 3.56Å; I382-H400 HydrophobicContact CG2-CB 4.26Å; C383-H400 VanDerWaalsContact SG-CE1 3.54Å; C383-H400 PolarHBondContact SG-NE2 3.07Å; H396-H400 AromaticContact CD2-NE2 3.88Å; H396-H400 AromaticContact CE1-CE1 3.98Å; H396-H400 AromaticContact CE1-NE2 3.26Å; H396-H400 PolarHBondContact CE1-NE2 3.26Å; H396-H400 VanDerWaalsContact CE1-NE2 3.26Å; H396-H400 AromaticContact NE2-CD2 3.98Å; H396-H400 AromaticContact NE2-NE2 3.07Å; H396-H400 PolarHBondContact NE2-NE2 3.49Å; H397-H400 PolarHBondContact O-N 3.38Å; N398-H400 VanDerWaalsContact C-N 3.33Å; H400-G402 PolarHBondContact O-N 3.42Å
401S75.9Confident79.6Confident64 Ų6457.2 Ų57.245%0.44832%0.318SS..Hα-helixtrans-66-23.7173.3-49.90000113.4H397 D403H397-S401 PolarHBondContact ND1-OG 3.17Å; H397-S401 PolarHBondContact O-N 3.45Å; S401-D403 WeakPolarHBondContact CB-OD2 3.3Å; S401-D403 PolarHBondContact O-N 2.82Å; S401-D403 PolarHBondContact OG-OD2 3.25Å
402G72.6Confident79.6Confident43 Ų4364 Ų6444%0.44334%0.339SS..  trans81.1-1.1-169.400000114.4N398 H400 K404N398-G402 CarbonylContact O-C 3.53Å; N398-G402 WeakPolarHBondContact O-CA 3.35Å; N398-G402 PolarHBondContact O-N 3.23Å; H400-G402 PolarHBondContact O-N 3.42Å; G402-K404 PolarHBondContact O-N 3.4Å
403D75.1Confident79.3Confident84 Ų8467.4 Ų67.445%0.44935%0.352SS..  trans-55.8130.3-177.7-74.5-47.7000112.9N398 S401 P405N398-D403 HydrophobicContact CB-CB 4.1Å; N398-D403 PolarHBondContact O-N 3.24Å; N398-D403 VanDerWaalsContact O-N 3.11Å; S401-D403 WeakPolarHBondContact CB-OD2 3.3Å; S401-D403 PolarHBondContact O-N 2.82Å; S401-D403 PolarHBondContact OG-OD2 3.25Å; D403-P405 VanDerWaalsContact C-CD 3.49Å; D403-P405 WeakPolarHBondContact O-CD 3.46Å
404K73.9Confident78.9Confident128 Ų12869.3 Ų69.356%0.55737%0.365SS*.  trans-124.374.7177.5-68.2159.5-169.3161.70109.6G402 H406 V414 F415G402-K404 PolarHBondContact O-N 3.4Å; K404-H406 PolarHBondContact O-N 2.9Å; K404-V414 HydrophobicContact CB-CB 3.91Å; K404-V414 HydrophobicContact CB-CG1 3.73Å; K404-V414 WeakPolarHBondContact O-CG1 3.5Å; K404-F415 CarbonylContact C-O 3.53Å; K404-F415 WeakPolarHBondContact CA-O 3.37Å
405P76.7Confident78.7Confident72 Ų7268.1 Ų68.147%0.46836%0.357SS..  trans-76.912.8-174.732.5-37.1000114.2D403D403-P405 VanDerWaalsContact C-CD 3.49Å; D403-P405 WeakPolarHBondContact O-CD 3.46Å
406H79.1Confident78.4Confident18 Ų1866.6 Ų66.68%0.08335%0.351CS..EExtended strand (participates in β ladder)trans-133.193.1-173.7-56.2-39.5000111.8K404 F415 H417 K418 L421K404-H406 PolarHBondContact O-N 2.9Å; H406-F415 HydrophobicContact CB-CB 4.45Å; H406-F415 WeakPolarHBondContact CB-O 3.49Å; H406-F415 PolarHBondContact N-O 3.15Å; H406-F415 WeakPolarHBondContact O-CD2 3.49Å; H406-F415 PolarHBondContact O-N 3.17Å; H406-H417 VanDerWaalsContact CD2-C 3.42Å; H406-K418 PolarHBondContact CD2-N 3.25Å; H406-K418 VanDerWaalsContact CD2-N 3.27Å; H406-K418 VanDerWaalsContact NE2-CG 3.29Å; H406-K418 WeakPolarHBondContact NE2-CG 3.41Å; H406-L421 HydrophobicContact CB-CD2 4.01Å
407C78.7Confident78.1Confident60 Ų6067.5 Ų67.541%0.40536%0.356SS..EExtended strand (participates in β ladder)trans-78.2157.2169.856.70000112.1M413 V414 L421C407-M413 CarbonylContact C-O 3.22Å; C407-M413 WeakPolarHBondContact CA-O 3.31Å; C407-V414 HydrophobicContact CB-CG1 4.26Å; C407-L421 WeakPolarHBondContact O-CD2 3.22Å
408C81.9Confident77.9Confident1 Ų167.7 Ų67.71%0.00736%0.356CS..  trans-96.7119167.8179.70000110.6Y410 C411 Y412 M413 F415 L421 H424 L425C408-Y410 PolarHBondContact O-N 3.3Å; C408-C411 PolarHBondContact O-N 3.03Å; C408-Y412 VanDerWaalsContact O-CA 3.24Å; C408-Y412 WeakPolarHBondContact O-CA 3.31Å; C408-Y412 PolarHBondContact O-N 2.97Å; C408-M413 PolarHBondContact N-O 3.05Å; C408-F415 HydrophobicContact CB-CE2 4.22Å; C408-L421 HydrophobicContact CB-CD1 3.73Å; C408-H424 PolarHBondContact SG-NE2 3.29Å; C408-L425 VanDerWaalsContact SG-CD2 3.58Å
409N81.1Confident77.9Confident85 Ų8569.7 Ų69.746%0.45537%0.37SS..THydrogen-bonded Turntrans-62.8-7.9-177.7-61.30.7000115
410Y75.9Confident78.1Confident111 Ų11168.2 Ų68.244%0.43536%0.364SS..THydrogen-bonded Turntrans-107.4-19.5-177.4-64.5-77.7000114.8C408 L425 H429 K431C408-Y410 PolarHBondContact O-N 3.3Å; Y410-L425 HydrophobicContact CD2-CD2 3.94Å; Y410-L425 HydrophobicContact CE2-CD2 4.28Å; Y410-H429 VanDerWaalsContact CB-CE1 3.46Å; Y410-H429 WeakPolarHBondContact CB-CE1 3.46Å; Y410-K431 HydrophobicContact CE2-CD 4.21Å; Y410-K431 WeakPolarHBondContact OH-CD 3.43Å; Y410-K431 PolarHBondContact OH-NZ 2.86Å
411C83.3Confident78.4Confident48 Ų4865.6 Ų65.632%0.32435%0.353SS..THydrogen-bonded Turntrans-146.36.2-179.463.90000114C408 M413 H424 H429C408-C411 PolarHBondContact O-N 3.03Å; C411-M413 PolarHBondContact O-N 3.3Å; C411-H424 PolarHBondContact SG-CE1 3.19Å; C411-H424 PolarHBondContact SG-NE2 3.01Å; C411-H429 PolarHBondContact SG-NE2 2.94Å; C411-H429 VanDerWaalsContact SG-NE2 3.43Å
412Y80.3Confident78.7Confident182 Ų18269 Ų6971%0.71436%0.356SS*.  trans58.43177.4-52.5-77000116.6C408 V414C408-Y412 VanDerWaalsContact O-CA 3.24Å; C408-Y412 WeakPolarHBondContact O-CA 3.31Å; C408-Y412 PolarHBondContact O-N 2.97Å; Y412-V414 PolarHBondContact O-N 3.49Å
413M77.8Confident79.3Confident111 Ų11174 Ų7455%0.54737%0.366SS..  trans-54.9136.2170.9-69.1-62-67.600111.6C407 C408 C411 F415C407-M413 CarbonylContact C-O 3.22Å; C407-M413 WeakPolarHBondContact CA-O 3.31Å; C408-M413 PolarHBondContact N-O 3.05Å; C411-M413 PolarHBondContact O-N 3.3Å; M413-F415 HydrophobicContact CB-CE2 3.84Å; M413-F415 HydrophobicContact CB-CZ 3.88Å; M413-F415 WeakPolarHBondContact O-CD2 3.42Å; M413-F415 VanDerWaalsContact O-CE2 3.29Å; M413-F415 WeakPolarHBondContact O-CE2 3.43Å
414V79.1Confident79.8Confident74 Ų7471.3 Ų71.345%0.44835%0.35SS..EExtended strand (participates in β ladder)trans-113.8135.6-170.6-136.20000112.3K404 C407 Y412K404-V414 HydrophobicContact CB-CB 3.91Å; K404-V414 HydrophobicContact CB-CG1 3.73Å; K404-V414 WeakPolarHBondContact O-CG1 3.5Å; C407-V414 HydrophobicContact CB-CG1 4.26Å; Y412-V414 PolarHBondContact O-N 3.49Å
415F78.1Confident80.3Confident33 Ų3366.4 Ų66.415%0.14533%0.33CS..EExtended strand (participates in β ladder)trans-128.4146.4-170.7-56.8-85.8000112.1K404 H406 C408 M413 V420 L421 H424K404-F415 CarbonylContact C-O 3.53Å; K404-F415 WeakPolarHBondContact CA-O 3.37Å; H406-F415 HydrophobicContact CB-CB 4.45Å; H406-F415 WeakPolarHBondContact CB-O 3.49Å; H406-F415 PolarHBondContact N-O 3.15Å; H406-F415 WeakPolarHBondContact O-CD2 3.49Å; H406-F415 PolarHBondContact O-N 3.17Å; C408-F415 HydrophobicContact CB-CE2 4.22Å; M413-F415 HydrophobicContact CB-CE2 3.84Å; M413-F415 HydrophobicContact CB-CZ 3.88Å; M413-F415 WeakPolarHBondContact O-CD2 3.42Å; M413-F415 VanDerWaalsContact O-CE2 3.29Å; M413-F415 WeakPolarHBondContact O-CE2 3.43Å; F415-V420 HydrophobicContact CD1-CB 4.33Å; F415-V420 HydrophobicContact CD1-CG1 3.65Å; F415-V420 HydrophobicContact CE1-CG1 4.23Å; F415-L421 HydrophobicContact CB-CB 4.34Å; F415-L421 HydrophobicContact CD2-CB 3.95Å; F415-L421 HydrophobicContact CD2-CD1 3.72Å; F415-L421 HydrophobicContact CD2-CG 4.39Å; F415-L421 HydrophobicContact CE2-CD1 3.79Å; F415-L421 HydrophobicContact CG-CB 4.25Å; F415-H424 HydrophobicContact CE1-CB 4.06Å; F415-H424 HydrophobicContact CE2-CB 4.28Å; F415-H424 AromaticContact CE2-CD2 3.73Å; F415-H424 AromaticContact CE2-CG 3.91Å; F415-H424 HydrophobicContact CZ-CB 3.66Å; F415-H424 AromaticContact CZ-CD2 3.68Å; F415-H424 AromaticContact CZ-CG 3.38Å; F415-H424 AromaticContact CZ-ND1 3.72Å
416A75.4Confident80.8Confident18 Ų1869.6 Ų69.615%0.14934%0.336CS..SBendtrans-75.4-20.9178.700000114.4N398 L399N398-A416 PolarHBondContact ND2-O 2.83Å; L399-A416 HydrophobicContact CD2-CB 3.89Å
417H76.8Confident81.1Confident39 Ų3975.9 Ų75.918%0.18137%0.366CS..SBendtrans-143.3141.7-176.2-34-64.8000113.9D395 H406 P419 V420 L421D395-H417 PolarHBondContact O-CE1 3.24Å; D395-H417 PolarHBondContact O-ND1 2.6Å; H406-H417 VanDerWaalsContact CD2-C 3.42Å; H417-P419 VanDerWaalsContact C-CD 3.4Å; H417-V420 HydrophobicContact CB-CG2 4.33Å; H417-V420 PolarHBondContact O-N 3.45Å; H417-L421 PolarHBondContact O-N 2.82Å
418K79.1Confident81.3Confident64 Ų6478.5 Ų78.528%0.27837%0.374SS..Hα-helixtrans-54.7-33.7175.9-58.9-167.1-179.6-175.10115.6H406 V420 R422H406-K418 PolarHBondContact CD2-N 3.25Å; H406-K418 VanDerWaalsContact CD2-N 3.27Å; H406-K418 VanDerWaalsContact NE2-CG 3.29Å; H406-K418 WeakPolarHBondContact NE2-CG 3.41Å; K418-V420 VanDerWaalsContact C-N 3.33Å; K418-R422 WeakPolarHBondContact O-CG 3.34Å; K418-R422 PolarHBondContact O-N 3.32Å; K418-R422 VanDerWaalsContact O-N 3.1Å; K418-R422 PolarHBondContact O-NE 3.27Å
419P80.2Confident81.4Confident61 Ų6180.9 Ų80.940%0.39639%0.386SS..Hα-helixtrans-65.8-31.1174.9-23.134.7000113.9H417 K423H417-P419 VanDerWaalsContact C-CD 3.4Å; P419-K423 PolarHBondContact O-N 3.37Å; P419-K423 VanDerWaalsContact O-N 3.16Å
420V82.2Confident81.2Confident65 Ų6579.8 Ų79.839%0.39439%0.394SS..Hα-helixtrans-75.7-46.2179.8-173.60000110F415 H417 K418 R422 K423 H424F415-V420 HydrophobicContact CD1-CB 4.33Å; F415-V420 HydrophobicContact CD1-CG1 3.65Å; F415-V420 HydrophobicContact CE1-CG1 4.23Å; H417-V420 HydrophobicContact CB-CG2 4.33Å; H417-V420 PolarHBondContact O-N 3.45Å; K418-V420 VanDerWaalsContact C-N 3.33Å; V420-R422 VanDerWaalsContact C-N 3.26Å; V420-R422 PolarHBondContact O-N 3.36Å; V420-K423 WeakPolarHBondContact O-CB 3.45Å; V420-K423 PolarHBondContact O-N 3.06Å; V420-K423 VanDerWaalsContact O-N 3.09Å; V420-H424 PolarHBondContact O-N 3.11Å
421L83.4Confident80.8Confident16 Ų1679.1 Ų79.18%0.08439%0.394CS..Hα-helixtrans-54.8-42171.4173.960.7000111.5H406 C407 C408 F415 H417 K423 H424 L425H406-L421 HydrophobicContact CB-CD2 4.01Å; C407-L421 WeakPolarHBondContact O-CD2 3.22Å; C408-L421 HydrophobicContact CB-CD1 3.73Å; F415-L421 HydrophobicContact CB-CB 4.34Å; F415-L421 HydrophobicContact CD2-CB 3.95Å; F415-L421 HydrophobicContact CD2-CD1 3.72Å; F415-L421 HydrophobicContact CD2-CG 4.39Å; F415-L421 HydrophobicContact CE2-CD1 3.79Å; F415-L421 HydrophobicContact CG-CB 4.25Å; H417-L421 PolarHBondContact O-N 2.82Å; L421-K423 PolarHBondContact O-N 3.11Å; L421-H424 PolarHBondContact O-N 3Å; L421-L425 HydrophobicContact CD1-CD1 3.99Å; L421-L425 HydrophobicContact CD1-CG 3.91Å; L421-L425 HydrophobicContact CD2-CD1 4.5Å; L421-L425 HydrophobicContact CG-CD1 3.86Å; L421-L425 HydrophobicContact CG-CG 4.27Å; L421-L425 WeakPolarHBondContact O-CB 3.29Å; L421-L425 WeakPolarHBondContact O-CG 3.5Å; L421-L425 PolarHBondContact O-N 3.35Å
422R82.8Confident79.7Confident137 Ų13783.2 Ų83.252%0.51741%0.412SS..Hα-helixtrans-64.2-37.4176-79.8-177.8-70.5162.7-5.7113.9K418 V420 K426K418-R422 WeakPolarHBondContact O-CG 3.34Å; K418-R422 PolarHBondContact O-N 3.32Å; K418-R422 VanDerWaalsContact O-N 3.1Å; K418-R422 PolarHBondContact O-NE 3.27Å; V420-R422 VanDerWaalsContact C-N 3.26Å; V420-R422 PolarHBondContact O-N 3.36Å; R422-K426 WeakPolarHBondContact O-CB 3.48Å; R422-K426 PolarHBondContact O-N 3.17Å; R422-K426 VanDerWaalsContact O-N 3.16Å
423K84.1Confident78.2Confident148 Ų14877.8 Ų77.864%0.64340%0.401SS*.Hα-helixtrans-62.6-49.2172-75.7-175.7176.9-174.50110.5P419 V420 L421 K426 Q427P419-K423 PolarHBondContact O-N 3.37Å; P419-K423 VanDerWaalsContact O-N 3.16Å; V420-K423 WeakPolarHBondContact O-CB 3.45Å; V420-K423 PolarHBondContact O-N 3.06Å; V420-K423 VanDerWaalsContact O-N 3.09Å; L421-K423 PolarHBondContact O-N 3.11Å; K423-K426 PolarHBondContact O-N 2.9Å; K423-Q427 WeakPolarHBondContact O-CB 3.4Å; K423-Q427 VanDerWaalsContact O-CG 3.29Å; K423-Q427 WeakPolarHBondContact O-CG 3.29Å; K423-Q427 PolarHBondContact O-N 2.61Å; K423-Q427 PolarHBondContact O-OE1 2.89Å
424H86.4Confident77Confident27 Ų2778.3 Ų78.313%0.12540%0.4CS..Hα-helixtrans-58-49.7177.5164.381.7000112.7C408 C411 F415 V420 L421 K426 Q427 I428 H429C408-H424 PolarHBondContact SG-NE2 3.29Å; C411-H424 PolarHBondContact SG-CE1 3.19Å; C411-H424 PolarHBondContact SG-NE2 3.01Å; F415-H424 HydrophobicContact CE1-CB 4.06Å; F415-H424 HydrophobicContact CE2-CB 4.28Å; F415-H424 AromaticContact CE2-CD2 3.73Å; F415-H424 AromaticContact CE2-CG 3.91Å; F415-H424 HydrophobicContact CZ-CB 3.66Å; F415-H424 AromaticContact CZ-CD2 3.68Å; F415-H424 AromaticContact CZ-CG 3.38Å; F415-H424 AromaticContact CZ-ND1 3.72Å; V420-H424 PolarHBondContact O-N 3.11Å; L421-H424 PolarHBondContact O-N 3Å; H424-K426 VanDerWaalsContact C-N 3.3Å; H424-K426 PolarHBondContact O-N 3.33Å; H424-Q427 PolarHBondContact O-N 3.16Å; H424-I428 WeakPolarHBondContact ND1-CG1 3.42Å; H424-I428 WeakPolarHBondContact O-CB 3.19Å; H424-I428 PolarHBondContact O-N 3.43Å; H424-H429 AromaticContact CE1-NE2 3.84Å; H424-H429 AromaticContact NE2-CD2 3.63Å; H424-H429 AromaticContact NE2-NE2 3.41Å; H424-H429 PolarHBondContact NE2-NE2 3.31Å
425L84.8Confident75.3Confident25 Ų2580.2 Ų80.213%0.13141%0.408CS..Hα-helixtrans-57.2-41.3177.1-75168.6000112.4C408 Y410 L421 H429 G430 K431C408-L425 VanDerWaalsContact SG-CD2 3.58Å; Y410-L425 HydrophobicContact CD2-CD2 3.94Å; Y410-L425 HydrophobicContact CE2-CD2 4.28Å; L421-L425 HydrophobicContact CD1-CD1 3.99Å; L421-L425 HydrophobicContact CD1-CG 3.91Å; L421-L425 HydrophobicContact CD2-CD1 4.5Å; L421-L425 HydrophobicContact CG-CD1 3.86Å; L421-L425 HydrophobicContact CG-CG 4.27Å; L421-L425 WeakPolarHBondContact O-CB 3.29Å; L421-L425 WeakPolarHBondContact O-CG 3.5Å; L421-L425 PolarHBondContact O-N 3.35Å; L425-H429 CarbonylContact O-C 3.49Å; L425-H429 WeakPolarHBondContact O-CA 3.43Å; L425-H429 WeakPolarHBondContact O-CB 3.42Å; L425-H429 PolarHBondContact O-N 3.41Å; L425-H429 VanDerWaalsContact O-N 3.15Å; L425-G430 PolarHBondContact O-N 2.78Å; L425-K431 PolarHBondContact O-N 3.12Å
426K85.7Confident73.5Confident138 Ų13885 Ų8560%0.644%0.435SS*.Hα-helixtrans-72.1-37.6177.6-172.3175.9178.6-176.80112.8R422 K423 H424 G430R422-K426 WeakPolarHBondContact O-CB 3.48Å; R422-K426 PolarHBondContact O-N 3.17Å; R422-K426 VanDerWaalsContact O-N 3.16Å; K423-K426 PolarHBondContact O-N 2.9Å; H424-K426 VanDerWaalsContact C-N 3.3Å; H424-K426 PolarHBondContact O-N 3.33Å; K426-G430 WeakPolarHBondContact O-CA 3.24Å; K426-G430 PolarHBondContact O-N 3.25Å
427Q85.9Confident71.8Confident151 Ų15187.2 Ų87.271%0.70645%0.454SS*.Hα-helixtrans-83.3-38.6-175.2-71.7175.7-63.100113.8K423 H424K423-Q427 WeakPolarHBondContact O-CB 3.4Å; K423-Q427 VanDerWaalsContact O-CG 3.29Å; K423-Q427 WeakPolarHBondContact O-CG 3.29Å; K423-Q427 PolarHBondContact O-N 2.61Å; K423-Q427 PolarHBondContact O-OE1 2.89Å; H424-Q427 PolarHBondContact O-N 3.16Å
428I84.1Confident69.9Low114 Ų11490.6 Ų90.659%0.58547%0.473SS*.Hα-helixtrans-98.9-34.1-174.1-53.8-54.9000111.9H424H424-I428 WeakPolarHBondContact ND1-CG1 3.42Å; H424-I428 WeakPolarHBondContact O-CB 3.19Å; H424-I428 PolarHBondContact O-N 3.43Å
429H83.9Confident68.4Low52 Ų5294.9 Ų94.924%0.24149%0.494CS..SBendtrans-114.9-1.4-175-57.4-64.1000113.9Y410 C411 H424 L425 K431Y410-H429 VanDerWaalsContact CB-CE1 3.46Å; Y410-H429 WeakPolarHBondContact CB-CE1 3.46Å; C411-H429 PolarHBondContact SG-NE2 2.94Å; C411-H429 VanDerWaalsContact SG-NE2 3.43Å; H424-H429 AromaticContact CE1-NE2 3.84Å; H424-H429 AromaticContact NE2-CD2 3.63Å; H424-H429 AromaticContact NE2-NE2 3.41Å; H424-H429 PolarHBondContact NE2-NE2 3.31Å; L425-H429 CarbonylContact O-C 3.49Å; L425-H429 WeakPolarHBondContact O-CA 3.43Å; L425-H429 WeakPolarHBondContact O-CB 3.42Å; L425-H429 PolarHBondContact O-N 3.41Å; L425-H429 VanDerWaalsContact O-N 3.15Å; H429-K431 WeakPolarHBondContact O-CG 3.33Å; H429-K431 PolarHBondContact O-N 3.49Å
430G76.4Confident66.4Low62 Ų62103 Ų10364%0.63952%0.517SS*.  trans64.74.5177.200000115.9L425 K426L425-G430 PolarHBondContact O-N 2.78Å; K426-G430 WeakPolarHBondContact O-CA 3.24Å; K426-G430 PolarHBondContact O-N 3.25Å
431K67.2Low64.5Low97 Ų97104.6 Ų104.642%0.42253%0.531SS..  trans-104.9136.8-169.7-73.8-179.5-173.8-172.20112.6Y410 L425 H429Y410-K431 HydrophobicContact CE2-CD 4.21Å; Y410-K431 WeakPolarHBondContact OH-CD 3.43Å; Y410-K431 PolarHBondContact OH-NZ 2.86Å; L425-K431 PolarHBondContact O-N 3.12Å; H429-K431 WeakPolarHBondContact O-CG 3.33Å; H429-K431 PolarHBondContact O-N 3.49Å
432N59.7Low62.3Low133 Ų133111.9 Ų111.971%0.71157%0.569SS**  trans-101.2-1.2166.8-64.8-32.1000112.8
433S50.1Low60.3Low68 Ų68112.7 Ų112.748%0.47658%0.583SS.*  trans-67139-176.6-1580000111.6D435S433-D435 VanDerWaalsContact CB-OD2 3.22Å; S433-D435 WeakPolarHBondContact CB-OD2 3.45Å; S433-D435 PolarHBondContact OG-OD2 2.83Å
434F50.7Low57.8Low123 Ų123114.4 Ų114.454%0.53959%0.593SS.*  trans-11652.1-177.5-147.9-84.4000110.4N436F434-N436 PolarHBondContact O-N 3.06Å; F434-N436 VanDerWaalsContact O-N 3.12Å
435D44.6Very low55.4Low113 Ų113120 Ų12060%0.60462%0.624SS**  trans-67.9106.6174.8-56.7-69.6000109S433 A437S433-D435 VanDerWaalsContact CB-OD2 3.22Å; S433-D435 WeakPolarHBondContact CB-OD2 3.45Å; S433-D435 PolarHBondContact OG-OD2 2.83Å; D435-A437 PolarHBondContact O-N 3.48Å
436N40.8Very low52.9Low133 Ų133122.2 Ų122.271%0.71165%0.652SS**  trans-8.5101.5-173.9-79.7-13.8000116.6F434 N438F434-N436 PolarHBondContact O-N 3.06Å; F434-N436 VanDerWaalsContact O-N 3.12Å; N436-N438 HydrophobicContact CB-CB 4.45Å; N436-N438 PolarHBondContact O-N 3.49Å
437A39.1Very low50.4Low66 Ų66122.1 Ų122.155%0.54566%0.663SS.*  trans-71.771.2154.300000109.1D435D435-A437 PolarHBondContact O-N 3.48Å
438N36.8Very low47.7Very low110 Ų110121.8 Ų121.859%0.58867%0.665SS**  trans-78.8148.8-179.8-155.576.6000111.8N436 R440N436-N438 HydrophobicContact CB-CB 4.45Å; N436-N438 PolarHBondContact O-N 3.49Å; N438-R440 PolarHBondContact O-N 2.91Å
439E47.3Very low45Very low153 Ų153124.4 Ų124.472%0.71568%0.681SS**  trans-31.3107170.3-49.2150.7133.100114.5
440R38.7Very low42.4Very low231 Ų231129.6 Ų129.687%0.87270%0.703SS**  -171153.3126.1-120.3-179.9171.2128.5-0.5115.2N438N438-R440 PolarHBondContact O-N 2.91Å
441S41.5Very low40.2Very low100 Ų100136.2 Ų136.270%0.69972%0.717SS**  trans72.3147.3155.9-58.30000117.1
442L37Very low38.7Very low168 Ų168139.6 Ų139.688%0.8873%0.729SS**  cis-109.7155.95.6-75162.9000112.8
443L40.8Very low37.3Very low155 Ų155135.9 Ų135.981%0.81272%0.722SS**  trans-65145160.7-70.8160.3000109.2
444H32.7Very low36.8Very low183 Ų183143.7 Ų143.785%0.84774%0.741SS**  trans-132.9121.3148.9-157.5-66.7000106.9
445D35.9Very low36.1Very low145 Ų145143.9 Ų143.978%0.77575%0.746SS**  trans-68.3146.1-179.9-60.2-73.5000110.7
446G31Very low35.8Very low71 Ų71144.1 Ų144.173%0.73274%0.744SS**  trans137.568.8175.200000115.9
447V34Very low35.4Very low137 Ų137143.3 Ų143.383%0.8374%0.74SS**  trans36.4103.7152.4-171.50000117.9
448L29.2Very low35.4Very low143 Ų143143.3 Ų143.375%0.74974%0.735SS**  -175.1111.5122.8-100.1177.3000109.6F450L448-F450 PolarHBondContact O-N 2.99Å; L448-F450 VanDerWaalsContact O-N 3.08Å
449D27.9Very low35.5Very low170 Ų170141 Ų14191%0.90973%0.728SS**  trans-73100179-75.4-60.4000112
450F29.9Very low35Very low161 Ų161141.3 Ų141.371%0.70673%0.731SS**  trans-114.5116.5162.2-86.9-86000109.7L448 Y452L448-F450 PolarHBondContact O-N 2.99Å; L448-F450 VanDerWaalsContact O-N 3.08Å; F450-Y452 VanDerWaalsContact C-N 3.35Å; F450-Y452 HydrophobicContact CB-CD2 4.43Å; F450-Y452 PolarHBondContact O-N 3.25Å
451E30.2Very low35Very low201 Ų201136.6 Ų136.694%0.93972%0.723SS**  trans-64.981.7-175.8-66.9-167119.500113.5G453E451-G453 PolarHBondContact O-N 2.87Å
452Y33.9Very low34.7Very low168 Ų168138.9 Ų138.966%0.65973%0.727SS**  trans-78.370173.7-95.5-76.5000112.5L394 F450 R454L394-Y452 HydrophobicContact CD1-CD1 4.4Å; L394-Y452 HydrophobicContact CD1-CE1 3.62Å; F450-Y452 VanDerWaalsContact C-N 3.35Å; F450-Y452 HydrophobicContact CB-CD2 4.43Å; F450-Y452 PolarHBondContact O-N 3.25Å; Y452-R454 PolarHBondContact O-N 2.79Å
453G31.5Very low34.5Very low55 Ų55135.2 Ų135.257%0.56772%0.716SS**  trans-57.9102.5177.100000113.7E451 L455E451-G453 PolarHBondContact O-N 2.87Å; G453-L455 WeakPolarHBondContact O-CG 3.03Å; G453-L455 PolarHBondContact O-N 3.31Å
454R39.3Very low34.6Very low232 Ų232136 Ų13688%0.87572%0.717SS**  trans15.865.3150.2-159.8-171-64179.50.8117.3Y452Y452-R454 PolarHBondContact O-N 2.79Å
455L35.6Very low34.4Very low126 Ų126132.5 Ų132.566%0.6671%0.705SS**  trans-131.770.4178.1-75.2174.1000112.9G453G453-L455 WeakPolarHBondContact O-CG 3.03Å; G453-L455 PolarHBondContact O-N 3.31Å
456Q38.4Very low34.2Very low119 Ų119133.1 Ų133.156%0.55671%0.708SS**  trans-104.52.9166.2-81.1-169.96.300114.2
457D33.1Very low34Very low116 Ų116138 Ų13862%0.6271%0.709SS**  trans-91.8105.8176.1-141.7-37000110.7S459D457-S459 PolarHBondContact O-N 2.89Å; D457-S459 WeakPolarHBondContact OD1-CB 3.42Å; D457-S459 PolarHBondContact OD1-OG 2.89Å
458C38.9Very low33.7Very low65 Ų65136.5 Ų136.544%0.43970%0.703SS.*THydrogen-bonded Turntrans-74.420.4-178.1-70.70000113.8R367R367-C458 PolarHBondContact NH2-O 3.17Å
459S38Very low33.7Very low63 Ų63135.9 Ų135.944%0.44170%0.704SS.*THydrogen-bonded Turntrans-118.5-11-160.1-46.20000114D457D457-S459 PolarHBondContact O-N 2.89Å; D457-S459 WeakPolarHBondContact OD1-CB 3.42Å; D457-S459 PolarHBondContact OD1-OG 2.89Å
460M37.5Very low33.6Very low159 Ų159133.6 Ų133.678%0.78370%0.696SS**  trans-134.450.3-176.8-68.4-161.9177.400114.4N462M460-N462 PolarHBondContact O-N 3.19Å
461D38.4Very low33.6Very low132 Ų132133.5 Ų133.571%0.70670%0.7SS**  trans-73.566.2150.8-76.3-25.5000108.3
462N36.6Very low33.3Very low147 Ų147130.8 Ų130.879%0.78669%0.692SS**  trans-135.141.1-169.8-131.532.4000111.5M460M460-N462 PolarHBondContact O-N 3.19Å
463S32Very low33.2Very low92 Ų92130.1 Ų130.164%0.64370%0.7SS**  trans-127.6151.4164.9-170.70000109.8D465S463-D465 VanDerWaalsContact CB-OD2 3.31Å; S463-D465 WeakPolarHBondContact CB-OD2 2.92Å; S463-D465 PolarHBondContact OG-OD2 2.69Å
464M42.6Very low33.5Very low171 Ų171132.1 Ų132.184%0.84271%0.705SS**  trans-101.4100.8164.2-68.8-169.374.900108.3
465D29.5Very low33.1Very low110 Ų110133.1 Ų133.159%0.58873%0.727SS**  trans-112.362.2173.2-79-84.3000110.4S463 K467S463-D465 VanDerWaalsContact CB-OD2 3.31Å; S463-D465 WeakPolarHBondContact CB-OD2 2.92Å; S463-D465 PolarHBondContact OG-OD2 2.69Å; D465-K467 PolarHBondContact O-N 3.08Å
466N30.6Very low33Very low157 Ų157133.5 Ų133.584%0.8473%0.73SS**  trans-71.973.5155-91.917.5000108.1
467K26.3Very low32.7Very low173 Ų173134.3 Ų134.375%0.75274%0.739SS**  trans-80.4125159.5-75.9-170.8176.7-176.60108D465D465-K467 PolarHBondContact O-N 3.08Å
468P27.4Very low32.7Very low107 Ų107135.3 Ų135.370%0.69575%0.746SS**  trans-63.7143.816729-33.3000108.9V470P468-V470 PolarHBondContact O-N 2.75Å; P468-V470 VanDerWaalsContact O-N 3.16Å
469V29.1Very low32.3Very low129 Ų129139.4 Ų139.478%0.78276%0.764SS**  trans-71.3107.3162.5176.70000106.3M471V469-M471 PolarHBondContact O-N 3.22Å
470V27.3Very low32Very low123 Ų123144.2 Ų144.275%0.74578%0.784SS**  trans-71.2112.8165.5177.80000106.3P468P468-V470 PolarHBondContact O-N 2.75Å; P468-V470 VanDerWaalsContact O-N 3.16Å
471M29.2Very low31.6Very low158 Ų158143.2 Ų143.278%0.77878%0.784SS**  trans-70.6131.4157.1-69.3-69.6-171.900106.6V469V469-M471 PolarHBondContact O-N 3.22Å
472D24.3Very low31.1Very low144 Ų144144 Ų14477%0.7779%0.79SS**  trans-94.4108.6177.4-156.9-16.1000108.4S474D472-S474 PolarHBondContact O-N 2.69Å
473D32.3Very low30.7Very low155 Ų155143.8 Ų143.883%0.82979%0.79SS**  trans-81.299178.4-79.8-39.8000109.3
474S36.2Very low30.6Very low97 Ų97148.1 Ų148.168%0.67880%0.802SS**  trans-156.574.3173.9-80.60000113.8D472D472-S474 PolarHBondContact O-N 2.69Å
475L32.2Very low29.5Very low253 Ų253146 Ų146100%1.32580%0.798SS**  173.10125.1-92.1163.5000112.3

Retrieved 475 of 475 residues in 1284.6 ms (Link to these results)