A0A060WEK5_ONCMY Loading...

CHHC U11-48K-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A060WEK5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene zgc:56699, Length 244 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.2Very low49.7Very low237 Ų237149.6 Ų149.6100%1.16786%0.86SS**  0110.10-80.2132.787.900107.9
2S48.1Very low49.7Very low118 Ų118147.4 Ų147.483%0.82586%0.855SS**  trans-141.197.1172.9-56.60000107.4
3T51.7Low49.3Very low129 Ų129144.5 Ų144.579%0.79185%0.848SS**  trans-92.4119.3176.1-58.50000107.7
4I61.2Low48.7Very low155 Ų155148.9 Ų148.980%0.79585%0.851SS**  trans-112121.9171.3-54.8175.5000107.2
5R59.1Low48Very low226 Ų226147.5 Ų147.585%0.85385%0.847SS**  trans-84.1138.1-175.3-68.6-174.8171.7-174-1.9110.5
6F51.2Low47.1Very low208 Ų208146.8 Ų146.891%0.91285%0.846SS**  trans-78.4123.1166.9-71.4-87.4000109.6
7G42.8Very low47Very low79 Ų79146.8 Ų146.881%0.81484%0.842SS**  trans-100101.9174.300000111
8S51.1Low46.4Very low115 Ų115144.3 Ų144.380%0.80484%0.841SS**  trans-84.8128.3160.4-60.90000108.6
9T48.6Very low46.3Very low147 Ų147145.8 Ų145.890%0.90284%0.84SS**  trans-132.8130.8159.956.80000109.6
10C46Very low45.7Very low114 Ų114144.8 Ų144.877%0.7784%0.836SS**  trans-117.9129-17936.70000108.6
11S38.2Very low45.3Very low118 Ų118145.4 Ų145.483%0.82584%0.836SS**  trans67.9158.4148.9-69.10000118.6
12P49.8Very low45.2Very low123 Ų123139.2 Ų139.280%0.79981%0.813SS**  cis-139.5165.630.839.6-19000119
13S45.4Very low44.4Very low109 Ų109144.1 Ų144.176%0.76281%0.814SS**  trans-53.9143.4169.9-40.60000114
14K39.9Very low43.5Very low206 Ų206149.3 Ų149.390%0.89682%0.819SS**  trans-121.4111.6160.5-102.3-177.5176.7-179.60110.6
15T38.8Very low42.2Very low128 Ų128149 Ų14979%0.78582%0.819SS**  trans-77.3128.5164.8-45.70000108.6
16T33.2Very low41.4Very low136 Ų136145.6 Ų145.683%0.83482%0.818SS**  trans-144.2118156.4-12.20000108.4
17L46.2Very low40.8Very low148 Ų148144.3 Ų144.378%0.77582%0.815SS**  trans-105.7120.2178.8-161.1168.2000106.4
18A35Very low40.8Very low101 Ų101149.4 Ų149.484%0.83582%0.817SS**  trans-156.6116.1159.900000108.4
19E44.5Very low40.6Very low173 Ų173146.9 Ų146.981%0.80881%0.809SS**  trans-72.3156.4177.2-76.4171.8110.600112.9
20T35.2Very low40.5Very low125 Ų125149 Ų14977%0.76781%0.809SS**  142.489.3127.3-58.40000112.7
21L37.6Very low40.5Very low159 Ų159153 Ų15383%0.83281%0.813SS**  trans44.9161.3136-78.3162.6000122.3
22P46Very low41.3Very low107 Ų107150.8 Ų150.870%0.69580%0.802SS**  -128.5125-57.529.2-10.5000110.2
23R31.5Very low41.6Very low220 Ų220151.5 Ų151.583%0.8380%0.799SS**  trans-157101.6174-152.2152.964.9-1661.6112.3N25R23-N25 PolarHBondContact O-N 3.24Å
24W32.7Very low42.4Very low239 Ų239152.1 Ų152.191%0.90580%0.801SS**  trans30.580.2162.2-51.892.4000114.1D26W24-D26 PolarHBondContact O-N 3.37Å
25N33.8Very low43.4Very low148 Ų148149 Ų14979%0.79179%0.789SS**  trans-75111.1163.5-72.6-20.9000106.9R23 E27R23-N25 PolarHBondContact O-N 3.24Å; N25-E27 PolarHBondContact O-N 2.83Å
26D41.3Very low44.6Very low155 Ų155148.2 Ų148.283%0.82978%0.78SS**  trans-51.786.1151.9-58.3-66.9000107.6W24 E28W24-D26 PolarHBondContact O-N 3.37Å; D26-E28 PolarHBondContact O-N 2.93Å
27E39.9Very low46.1Very low181 Ų181145.5 Ų145.585%0.84677%0.772SS**  trans-70.890.8161.8-67.4-164.5137.800105.4N25 G29N25-E27 PolarHBondContact O-N 2.83Å; E27-G29 PolarHBondContact O-N 2.75Å
28E42.1Very low47.3Very low185 Ų185143.6 Ų143.686%0.86477%0.77SS**  trans-48.292.4152.4-69.3-169.6150.800106.4D26 E30D26-E28 PolarHBondContact O-N 2.93Å; E28-E30 PolarHBondContact O-N 3.3Å
29G46.1Very low49.7Very low62 Ų62141.8 Ų141.864%0.63975%0.746SS**  trans-51.7114.817000000105.9E27 K31E27-G29 PolarHBondContact O-N 2.75Å; G29-K31 VanDerWaalsContact C-N 3.32Å; G29-K31 PolarHBondContact O-N 2.96Å
30E48.1Very low51.7Low192 Ų192136.9 Ų136.990%0.89773%0.729SS**  trans-38.8103.8168.2-160.7154.914700106.5E28 A32E28-E30 PolarHBondContact O-N 3.3Å; E30-A32 PolarHBondContact O-N 2.74Å
31K44.9Very low54.2Low198 Ų198135 Ų13586%0.86172%0.715SS**  trans-62.296.5173.4-107.6-169.5176.5-166.80103.3G29 D33G29-K31 VanDerWaalsContact C-N 3.32Å; G29-K31 PolarHBondContact O-N 2.96Å; K31-D33 VanDerWaalsContact C-N 3.31Å; K31-D33 PolarHBondContact O-N 2.77Å
32A55.2Low56.8Low72 Ų72131.7 Ų131.760%0.59569%0.693SS**  trans-46.5111.3157.200000104.1E30E30-A32 PolarHBondContact O-N 2.74Å
33D56.3Low59.1Low137 Ų137131.2 Ų131.273%0.73368%0.684SS**  trans-40.9139.2166.5-95.7-52.7000107K31 E35K31-D33 VanDerWaalsContact C-N 3.31Å; K31-D33 PolarHBondContact O-N 2.77Å; D33-E35 PolarHBondContact O-N 2.88Å
34P62.1Low62Low123 Ų123122.3 Ų122.380%0.79965%0.653SS**  trans-61.986.8176.226.3-32000107.4D36P34-D36 PolarHBondContact O-N 3.49Å
35E60.3Low64.9Low139 Ų139116.1 Ų116.165%0.6563%0.634SS**  trans-63105.2179.328.8-174.9151.900105.2D33 A37D33-E35 PolarHBondContact O-N 2.88Å; E35-A37 PolarHBondContact O-N 3.32Å
36D64.9Low67.8Low112 Ų112109.2 Ų109.260%0.59960%0.598SS**  trans-41.2101-174.6-175.8-2.7000109.7P34 C38 D39P34-D36 PolarHBondContact O-N 3.49Å; D36-C38 PolarHBondContact O-N 3.31Å; D36-C38 WeakPolarHBondContact OD1-CB 3.4Å; D36-C38 PolarHBondContact OD1-N 3.46Å; D36-C38 VanDerWaalsContact OD1-N 3.17Å; D36-D39 PolarHBondContact O-N 2.91Å
37A64.3Low70.2Confident80 Ų80105 Ų10566%0.66158%0.578SS**THydrogen-bonded Turntrans-62-11-174.900000112.1E35E35-A37 PolarHBondContact O-N 3.32Å
38C71.1Confident72.7Confident107 Ų10797.3 Ų97.372%0.72354%0.542SS*.THydrogen-bonded Turntrans-976.1178.2-68.70000114.4D36 P40D36-C38 PolarHBondContact O-N 3.31Å; D36-C38 WeakPolarHBondContact OD1-CB 3.4Å; D36-C38 PolarHBondContact OD1-N 3.46Å; D36-C38 VanDerWaalsContact OD1-N 3.17Å; C38-P40 WeakPolarHBondContact O-CD 3.38Å
39D85.1Confident75Confident64 Ų6490.4 Ų90.434%0.34251%0.511SS..  trans-56.5113.7179.117421.1000111.4D36 N41 K42D36-D39 PolarHBondContact O-N 2.91Å; D39-N41 PolarHBondContact O-N 3.39Å; D39-N41 PolarHBondContact OD1-N 3.47Å; D39-K42 HydrophobicContact CB-CB 4.23Å; D39-K42 WeakPolarHBondContact O-CB 3.42Å; D39-K42 PolarHBondContact O-N 3.35Å; D39-K42 PolarHBondContact OD2-N 3.21Å
40P86.9Confident77.2Confident70 Ų7095.4 Ų95.446%0.45552%0.515SS..THydrogen-bonded Turntrans-66.5-19.3-178.227.2-35.7000113.2C38 C57C38-P40 WeakPolarHBondContact O-CD 3.38Å; P40-C57 HydrophobicContact CB-CB 4.23Å; P40-C57 PolarHBondContact O-N 3.15Å; P40-C57 PolarHBondContact O-SG 3.31Å; P40-C57 VanDerWaalsContact O-SG 3.41Å
41N88.6Confident79.3Confident86 Ų8693 Ų9346%0.4651%0.508SS..THydrogen-bonded Turntrans-92.1-9.1179.8-64.3-65000113.6D39 L43 R55D39-N41 PolarHBondContact O-N 3.39Å; D39-N41 PolarHBondContact OD1-N 3.47Å; N41-L43 PolarHBondContact O-N 3.34Å; N41-R55 PolarHBondContact OD1-NH1 2.88Å
42K92.2Very high81.6Confident89 Ų8986.8 Ų86.839%0.38748%0.482SS..  trans-53.3128176-173167-174.2160.90110.5D39 R55 A56D39-K42 HydrophobicContact CB-CB 4.23Å; D39-K42 WeakPolarHBondContact O-CB 3.42Å; D39-K42 PolarHBondContact O-N 3.35Å; D39-K42 PolarHBondContact OD2-N 3.21Å; K42-R55 CarbonylContact O-C 3.48Å; K42-R55 WeakPolarHBondContact O-CA 3.11Å; K42-A56 PolarHBondContact O-N 3.35Å
43L93.1Very high83.5Confident97 Ų9789.7 Ų89.751%0.50848%0.483SS..EExtended strand (participates in β ladder)trans-82.1126.5178.9-66.1176000109.9N41 R55N41-L43 PolarHBondContact O-N 3.34Å; L43-R55 HydrophobicContact CD2-CG 3.78Å
44L92.3Very high85.4Confident32 Ų3284.7 Ų84.717%0.16846%0.457CS..EExtended strand (participates in β ladder)trans-111.9138.3175.8-57.2178000109.2I54 A56 F59 R85L44-I54 PolarHBondContact N-O 2.59Å; L44-I54 PolarHBondContact O-N 3.21Å; L44-A56 HydrophobicContact CD1-CB 3.96Å; L44-A56 HydrophobicContact CG-CB 4.32Å; L44-F59 HydrophobicContact CB-CD2 3.63Å; L44-F59 HydrophobicContact CB-CE2 3.58Å; L44-F59 HydrophobicContact CB-CG 4.3Å; L44-F59 HydrophobicContact CB-CZ 4.2Å; L44-F59 HydrophobicContact CD1-CB 4.12Å; L44-F59 HydrophobicContact CD1-CD1 4.14Å; L44-F59 HydrophobicContact CD1-CD2 4.05Å; L44-F59 HydrophobicContact CD1-CE2 4.46Å; L44-F59 HydrophobicContact CD1-CG 3.87Å; L44-F59 HydrophobicContact CG-CD2 4.46Å; L44-R85 VanDerWaalsContact CD1-NH2 3.32Å
45Q95.2Very high86.9Confident110 Ų11084.7 Ų84.751%0.51444%0.441SS..EExtended strand (participates in β ladder)trans-79.6138.1176.2-173.6174.7-25.100110.8H52 F59Q45-H52 WeakPolarHBondContact CA-O 3.4Å; Q45-F59 WeakPolarHBondContact O-CE2 3.32Å; Q45-F59 WeakPolarHBondContact O-CZ 3.48Å
46C94.6Very high88.5Confident3 Ų378.6 Ų78.62%0.0241%0.414CS..  trans-73.8136.9177.6-176.70000111.9Y48 D49 H52 H62C46-Y48 VanDerWaalsContact C-N 3.32Å; C46-Y48 PolarHBondContact O-N 2.81Å; C46-Y48 PolarHBondContact SG-N 2.85Å; C46-Y48 VanDerWaalsContact SG-N 3.38Å; C46-D49 WeakPolarHBondContact CB-O 3.43Å; C46-D49 CarbonylContact O-C 3.51Å; C46-H52 HydrophobicContact CB-CB 3.68Å; C46-H52 PolarHBondContact N-O 3.29Å; C46-H62 WeakPolarHBondContact CB-NE2 3.35Å; C46-H62 PolarHBondContact SG-NE2 3.02Å
47P91.6Very high89.8Confident66 Ų6677 Ų7743%0.42941%0.411SS..SBendtrans-71.1-23.6175.4-24.538.8000114.3L77 L87P47-L77 HydrophobicContact CB-CD1 4.33Å; P47-L87 HydrophobicContact CB-CD1 4.36Å; P47-L87 HydrophobicContact CG-CD1 3.75Å
48Y92.1Very high91.3Very high19 Ų1981.2 Ų81.28%0.07541%0.41CS..SBendtrans-82.1-28.8179.2-58.2-59.2000112.9C46 L63 C66 L73 A74 L77 L87C46-Y48 VanDerWaalsContact C-N 3.32Å; C46-Y48 PolarHBondContact O-N 2.81Å; C46-Y48 PolarHBondContact SG-N 2.85Å; C46-Y48 VanDerWaalsContact SG-N 3.38Å; Y48-L63 HydrophobicContact CD2-CD2 4.3Å; Y48-L63 HydrophobicContact CE2-CD2 4.05Å; Y48-C66 HydrophobicContact CD2-CB 3.99Å; Y48-L73 HydrophobicContact CD1-CB 3.77Å; Y48-L73 HydrophobicContact CE1-CB 4.28Å; Y48-L73 WeakPolarHBondContact O-CD1 3.44Å; Y48-A74 HydrophobicContact CE1-CB 4.4Å; Y48-L77 HydrophobicContact CD1-CD1 4.24Å; Y48-L77 HydrophobicContact CE1-CB 4.39Å; Y48-L77 HydrophobicContact CE1-CD1 3.94Å; Y48-L87 VanDerWaalsContact OH-CD2 3.29Å; Y48-L87 WeakPolarHBondContact OH-CD2 3.16Å
49D90.8Very high92.4Very high41 Ų4176.7 Ų76.722%0.21938%0.378CS..  trans-149.9123.3-177.9-174.3-8.2000110.5C46 N51 H52C46-D49 WeakPolarHBondContact CB-O 3.43Å; C46-D49 CarbonylContact O-C 3.51Å; D49-N51 PolarHBondContact O-N 3.47Å; D49-N51 WeakPolarHBondContact OD1-CB 3.4Å; D49-N51 PolarHBondContact OD1-N 3.38Å; D49-N51 PolarHBondContact OD1-OD1 3.35Å; D49-H52 PolarHBondContact O-N 2.66Å; D49-H52 IonicContact OD2-CE1 3.46Å; D49-H52 PolarHBondContact OD2-CE1 2.77Å; D49-H52 IonicContact OD2-ND1 3.75Å; D49-H52 IonicContact OD2-NE2 3.91Å
50K91.3Very high92.8Very high166 Ų16675.7 Ų75.772%0.72238%0.375SS*.THydrogen-bonded Turntrans-69.5-20.4-178.2-59.6-176.7-178.3-179.10112.8H52K50-H52 VanDerWaalsContact C-N 3.28Å; K50-H52 PolarHBondContact O-N 2.99Å
51N93.3Very high93.2Very high142 Ų14280.2 Ų80.276%0.75938%0.384SS*.THydrogen-bonded Turntrans-78.4-13.7-179.7-66.770000112.6D49D49-N51 PolarHBondContact O-N 3.47Å; D49-N51 WeakPolarHBondContact OD1-CB 3.4Å; D49-N51 PolarHBondContact OD1-N 3.38Å; D49-N51 PolarHBondContact OD1-OD1 3.35Å
52H92.8Very high93.5Very high68 Ų6877.4 Ų77.432%0.31537%0.368SS..  trans-90.6118.1178.5-67.8146.3000112Q45 C46 D49 K50 I54 H62Q45-H52 WeakPolarHBondContact CA-O 3.4Å; C46-H52 HydrophobicContact CB-CB 3.68Å; C46-H52 PolarHBondContact N-O 3.29Å; D49-H52 PolarHBondContact O-N 2.66Å; D49-H52 IonicContact OD2-CE1 3.46Å; D49-H52 PolarHBondContact OD2-CE1 2.77Å; D49-H52 IonicContact OD2-ND1 3.75Å; D49-H52 IonicContact OD2-NE2 3.91Å; K50-H52 VanDerWaalsContact C-N 3.28Å; K50-H52 PolarHBondContact O-N 2.99Å; H52-I54 HydrophobicContact CB-CD1 4.43Å; H52-I54 HydrophobicContact CB-CG1 4.38Å; H52-H62 AromaticContact CG-CE1 3.8Å; H52-H62 AromaticContact ND1-CE1 3.57Å; H52-H62 AromaticContact ND1-NE2 3.85Å
53Q95.1Very high93.6Very high132 Ų13273.4 Ų73.462%0.61735%0.351SS*.EExtended strand (participates in β ladder)trans-111.2119.6166.8-67.2-172.3-18.700109.7
54I94.9Very high93.7Very high33 Ų3374 Ų7417%0.16935%0.354CS..EExtended strand (participates in β ladder)trans-129.2135.6-169.1-51.1-66.8000109.4L44 H52 R58 F59 H62L44-I54 PolarHBondContact N-O 2.59Å; L44-I54 PolarHBondContact O-N 3.21Å; H52-I54 HydrophobicContact CB-CD1 4.43Å; H52-I54 HydrophobicContact CB-CG1 4.38Å; I54-R58 HydrophobicContact CG2-CB 4.06Å; I54-F59 HydrophobicContact CB-CD2 4.12Å; I54-F59 HydrophobicContact CG2-CD2 4.48Å; I54-H62 HydrophobicContact CG1-CB 4.25Å; I54-H62 HydrophobicContact CG2-CB 3.92Å
55R95.3Very high93.8Very high122 Ų12278.5 Ų78.546%0.4637%0.372SS..EExtended strand (participates in β ladder)trans-58.3141.6175-61.3-175.8-170.7-174.72.9111.3N41 K42 L43 C57 R58 F59N41-R55 PolarHBondContact OD1-NH1 2.88Å; K42-R55 CarbonylContact O-C 3.48Å; K42-R55 WeakPolarHBondContact O-CA 3.11Å; L43-R55 HydrophobicContact CD2-CG 3.78Å; R55-C57 PolarHBondContact O-N 3.33Å; R55-C57 VanDerWaalsContact O-N 3.15Å; R55-R58 PolarHBondContact O-N 3.17Å; R55-F59 PolarHBondContact O-N 3.44Å; R55-F59 VanDerWaalsContact O-N 3.09Å
56A93.6Very high93.7Very high12 Ų1273.5 Ų73.510%0.09935%0.349CS..G310 helixtrans-50.7-42.6-178.500000112.6K42 L44 R58 F59K42-A56 PolarHBondContact O-N 3.35Å; L44-A56 HydrophobicContact CD1-CB 3.96Å; L44-A56 HydrophobicContact CG-CB 4.32Å; A56-R58 VanDerWaalsContact C-N 3.27Å; A56-R58 PolarHBondContact O-N 3.13Å; A56-F59 WeakPolarHBondContact O-CB 3.4Å; A56-F59 PolarHBondContact O-N 3.45Å
57C92.5Very high93.7Very high78 Ų7874.7 Ų74.753%0.52736%0.357SS..G310 helixtrans-62.9-27.2178.9640000114.6P40 R55P40-C57 HydrophobicContact CB-CB 4.23Å; P40-C57 PolarHBondContact O-N 3.15Å; P40-C57 PolarHBondContact O-SG 3.31Å; P40-C57 VanDerWaalsContact O-SG 3.41Å; R55-C57 PolarHBondContact O-N 3.33Å; R55-C57 VanDerWaalsContact O-N 3.15Å
58R94.6Very high93.8Very high169 Ų16979.1 Ų79.164%0.63837%0.37SS*.G310 helixtrans-101.4-4.3179.4-70.2-171.7176.6161.30.6113.2I54 R55 A56 Y61 H62I54-R58 HydrophobicContact CG2-CB 4.06Å; R55-R58 PolarHBondContact O-N 3.17Å; A56-R58 VanDerWaalsContact C-N 3.27Å; A56-R58 PolarHBondContact O-N 3.13Å; R58-Y61 PolarHBondContact O-N 3.2Å; R58-H62 PolarHBondContact O-N 3.21Å
59F94.8Very high93.9Very high11 Ų1183.8 Ų83.85%0.04840%0.396CS..Hα-helixtrans-58.9-47.5-174.3-162.9-105.8000113L44 Q45 I54 R55 A56 Y61 H62 L63 R85L44-F59 HydrophobicContact CB-CD2 3.63Å; L44-F59 HydrophobicContact CB-CE2 3.58Å; L44-F59 HydrophobicContact CB-CG 4.3Å; L44-F59 HydrophobicContact CB-CZ 4.2Å; L44-F59 HydrophobicContact CD1-CB 4.12Å; L44-F59 HydrophobicContact CD1-CD1 4.14Å; L44-F59 HydrophobicContact CD1-CD2 4.05Å; L44-F59 HydrophobicContact CD1-CE2 4.46Å; L44-F59 HydrophobicContact CD1-CG 3.87Å; L44-F59 HydrophobicContact CG-CD2 4.46Å; Q45-F59 WeakPolarHBondContact O-CE2 3.32Å; Q45-F59 WeakPolarHBondContact O-CZ 3.48Å; I54-F59 HydrophobicContact CB-CD2 4.12Å; I54-F59 HydrophobicContact CG2-CD2 4.48Å; R55-F59 PolarHBondContact O-N 3.44Å; R55-F59 VanDerWaalsContact O-N 3.09Å; A56-F59 WeakPolarHBondContact O-CB 3.4Å; A56-F59 PolarHBondContact O-N 3.45Å; F59-Y61 VanDerWaalsContact C-N 3.34Å; F59-Y61 PolarHBondContact O-N 3.45Å; F59-H62 WeakPolarHBondContact O-CB 3.33Å; F59-H62 PolarHBondContact O-N 3.09Å; F59-H62 VanDerWaalsContact O-N 3.12Å; F59-L63 HydrophobicContact CD1-CD1 3.71Å; F59-L63 HydrophobicContact CD1-CG 4.13Å; F59-L63 HydrophobicContact CE1-CD1 3.65Å; F59-L63 HydrophobicContact CE1-CD2 4.11Å; F59-L63 HydrophobicContact CE1-CG 4.08Å; F59-L63 HydrophobicContact CZ-CD2 4.15Å; F59-L63 WeakPolarHBondContact O-CG 3.48Å; F59-L63 PolarHBondContact O-N 3Å; F59-R85 HydrophobicContact CD1-CB 4.24Å; F59-R85 HydrophobicContact CD1-CG 4.1Å
60P93.4Very high94Very high43 Ų4384.6 Ų84.628%0.27940%0.398SS..Hα-helixtrans-59.5-43.3179.6-24.535.8000113H62 L63 I64 A84 R85P60-H62 VanDerWaalsContact C-N 3.35Å; P60-H62 PolarHBondContact O-N 3.44Å; P60-L63 PolarHBondContact O-N 3.12Å; P60-I64 WeakPolarHBondContact O-CG1 3.3Å; P60-I64 PolarHBondContact O-N 3.49Å; P60-A84 HydrophobicContact CB-CB 4.01Å; P60-A84 HydrophobicContact CG-CB 4.5Å; P60-R85 HydrophobicContact CG-CG 4.24Å
61Y95.3Very high94Very high165 Ų16581 Ų8165%0.64739%0.391SS*.Hα-helixtrans-64.4-40.9177177.7-98.3000111.9R58 F59 L63 I64 K65R58-Y61 PolarHBondContact O-N 3.2Å; F59-Y61 VanDerWaalsContact C-N 3.34Å; F59-Y61 PolarHBondContact O-N 3.45Å; Y61-L63 PolarHBondContact O-N 3.04Å; Y61-I64 PolarHBondContact O-N 2.93Å; Y61-K65 PolarHBondContact O-N 2.8Å
62H95.3Very high94Very high27 Ų2782.4 Ų82.413%0.12539%0.391CS..Hα-helixtrans-60.2-44.5176.1172.483.6000111.8C46 H52 I54 R58 F59 P60 I64 K65 C66C46-H62 WeakPolarHBondContact CB-NE2 3.35Å; C46-H62 PolarHBondContact SG-NE2 3.02Å; H52-H62 AromaticContact CG-CE1 3.8Å; H52-H62 AromaticContact ND1-CE1 3.57Å; H52-H62 AromaticContact ND1-NE2 3.85Å; I54-H62 HydrophobicContact CG1-CB 4.25Å; I54-H62 HydrophobicContact CG2-CB 3.92Å; R58-H62 PolarHBondContact O-N 3.21Å; F59-H62 WeakPolarHBondContact O-CB 3.33Å; F59-H62 PolarHBondContact O-N 3.09Å; F59-H62 VanDerWaalsContact O-N 3.12Å; P60-H62 VanDerWaalsContact C-N 3.35Å; P60-H62 PolarHBondContact O-N 3.44Å; H62-I64 VanDerWaalsContact C-N 3.31Å; H62-I64 PolarHBondContact O-N 3.35Å; H62-K65 PolarHBondContact O-N 2.9Å; H62-K65 VanDerWaalsContact O-N 3.14Å; H62-C66 WeakPolarHBondContact O-CB 2.9Å; H62-C66 PolarHBondContact O-N 2.83Å
63L94.5Very high93.8Very high6 Ų682.2 Ų82.23%0.03139%0.392CS..Hα-helixtrans-58.8-41.5180-66.7173.8000112.3Y48 F59 P60 Y61 K65 S67 A84 L87Y48-L63 HydrophobicContact CD2-CD2 4.3Å; Y48-L63 HydrophobicContact CE2-CD2 4.05Å; F59-L63 HydrophobicContact CD1-CD1 3.71Å; F59-L63 HydrophobicContact CD1-CG 4.13Å; F59-L63 HydrophobicContact CE1-CD1 3.65Å; F59-L63 HydrophobicContact CE1-CD2 4.11Å; F59-L63 HydrophobicContact CE1-CG 4.08Å; F59-L63 HydrophobicContact CZ-CD2 4.15Å; F59-L63 WeakPolarHBondContact O-CG 3.48Å; F59-L63 PolarHBondContact O-N 3Å; P60-L63 PolarHBondContact O-N 3.12Å; Y61-L63 PolarHBondContact O-N 3.04Å; L63-K65 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 2.92Å; L63-S67 VanDerWaalsContact O-CB 3.26Å; L63-S67 WeakPolarHBondContact O-CB 3.48Å; L63-S67 PolarHBondContact O-N 3.17Å; L63-S67 PolarHBondContact O-OG 2.99Å; L63-S67 VanDerWaalsContact O-OG 3.08Å; L63-A84 VanDerWaalsContact CD1-O 3.27Å; L63-A84 WeakPolarHBondContact CD1-O 3.48Å; L63-L87 HydrophobicContact CD1-CD1 3.44Å; L63-L87 VanDerWaalsContact CD1-CD1 3.44Å; L63-L87 HydrophobicContact CD1-CG 4.43Å; L63-L87 HydrophobicContact CD2-CD1 3.36Å; L63-L87 HydrophobicContact CG-CD1 3.9Å
64I93.8Very high93.6Very high110 Ų11077.1 Ų77.156%0.56437%0.372SS*.Hα-helixtrans-64.1-39.7177.5-61.8166.6000111.3P60 Y61 H62 S67P60-I64 WeakPolarHBondContact O-CG1 3.3Å; P60-I64 PolarHBondContact O-N 3.49Å; Y61-I64 PolarHBondContact O-N 2.93Å; H62-I64 VanDerWaalsContact C-N 3.31Å; H62-I64 PolarHBondContact O-N 3.35Å; I64-S67 PolarHBondContact O-OG 3.19Å
65K94.6Very high93.4Very high126 Ų12678.3 Ų78.355%0.54838%0.383SS..Hα-helixtrans-76.4-42179.9-170.2176.3-179.4-179.90112Y61 H62 L63 K68Y61-K65 PolarHBondContact O-N 2.8Å; H62-K65 PolarHBondContact O-N 2.9Å; H62-K65 VanDerWaalsContact O-N 3.14Å; L63-K65 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 2.92Å; K65-K68 PolarHBondContact O-N 2.94Å
66C94.6Very high93.3Very high4 Ų477.8 Ų77.83%0.02739%0.386CS..Hα-helixtrans-71-36.2-176.2-167.30000111.4Y48 H62 K68 N69 H70Y48-C66 HydrophobicContact CD2-CB 3.99Å; H62-C66 WeakPolarHBondContact O-CB 2.9Å; H62-C66 PolarHBondContact O-N 2.83Å; C66-K68 PolarHBondContact O-N 2.73Å; C66-N69 PolarHBondContact O-N 2.9Å; C66-H70 PolarHBondContact O-CD2 3.13Å; C66-H70 PolarHBondContact O-N 3.21Å; C66-H70 VanDerWaalsContact O-N 3.17Å; C66-H70 VanDerWaalsContact SG-CD2 3.57Å
67S94.1Very high93.3Very high28 Ų2878.8 Ų78.820%0.19639%0.39CS..Hα-helixtrans-57.3-33.6175.562.10000113.3L63 I64 N69 H70 A74L63-S67 VanDerWaalsContact O-CB 3.26Å; L63-S67 WeakPolarHBondContact O-CB 3.48Å; L63-S67 PolarHBondContact O-N 3.17Å; L63-S67 PolarHBondContact O-OG 2.99Å; L63-S67 VanDerWaalsContact O-OG 3.08Å; I64-S67 PolarHBondContact O-OG 3.19Å; S67-N69 VanDerWaalsContact C-N 3.29Å; S67-N69 PolarHBondContact O-N 3.2Å; S67-H70 CarbonylContact O-C 3.39Å; S67-H70 PolarHBondContact O-N 3.26Å; S67-A74 WeakPolarHBondContact O-CB 3.37Å
68K93.6Very high93.4Very high160 Ų16079.4 Ų79.470%0.69638%0.384SS*.Hα-helixtrans-65.1-32.3175.7-62.5179.1-177.8-175.50112.9K65 C66K65-K68 PolarHBondContact O-N 2.94Å; C66-K68 PolarHBondContact O-N 2.73Å
69N93.3Very high93.3Very high116 Ų11674.7 Ų74.762%0.6237%0.373SS*.Hα-helixtrans-83-22.1179.7-63.9-15.5000112.3C66 S67 P71C66-N69 PolarHBondContact O-N 2.9Å; S67-N69 VanDerWaalsContact C-N 3.29Å; S67-N69 PolarHBondContact O-N 3.2Å; N69-P71 VanDerWaalsContact C-CD 3.42Å; N69-P71 VanDerWaalsContact O-CD 3.3Å; N69-P71 WeakPolarHBondContact O-CD 3.35Å
70H93.6Very high93.3Very high58 Ų5874.4 Ų74.427%0.26937%0.373SS..  trans-120.567.1-178.7-59.2-84.9000111.5C66 S67 K72 L73 A74C66-H70 PolarHBondContact O-CD2 3.13Å; C66-H70 PolarHBondContact O-N 3.21Å; C66-H70 VanDerWaalsContact O-N 3.17Å; C66-H70 VanDerWaalsContact SG-CD2 3.57Å; S67-H70 CarbonylContact O-C 3.39Å; S67-H70 PolarHBondContact O-N 3.26Å; H70-K72 VanDerWaalsContact C-N 3.26Å; H70-K72 PolarHBondContact O-N 3.29Å; H70-L73 PolarHBondContact O-N 3.41Å; H70-A74 WeakPolarHBondContact O-CB 3.18Å; H70-A74 PolarHBondContact O-N 3.09Å
71P91.8Very high93.3Very high90 Ų9076.8 Ų76.858%0.58439%0.389SS*.Hα-helixtrans-63.1-29.3-172.325-35.1000113.7N69 S75N69-P71 VanDerWaalsContact C-CD 3.42Å; N69-P71 VanDerWaalsContact O-CD 3.3Å; N69-P71 WeakPolarHBondContact O-CD 3.35Å; P71-S75 WeakPolarHBondContact O-CB 3.29Å; P71-S75 PolarHBondContact O-N 3.35Å
72K91.7Very high93.1Very high173 Ų17373.4 Ų73.475%0.75238%0.377SS*.Hα-helixtrans-61.8-57.9177.4-63.2-176.8-179-179.10110.8H70 A74 S75H70-K72 VanDerWaalsContact C-N 3.26Å; H70-K72 PolarHBondContact O-N 3.29Å; K72-A74 PolarHBondContact O-N 3.06Å; K72-S75 WeakPolarHBondContact O-CB 3.27Å; K72-S75 PolarHBondContact O-N 2.96Å; K72-S75 VanDerWaalsContact O-N 3.13Å; K72-S75 PolarHBondContact O-OG 3.38Å
73L90.4Very high92.9Very high63 Ų6373.7 Ų73.733%0.3338%0.38SS..Hα-helixtrans-66.8-34.5178.3-62.8176.4000112.8Y48 H70 S75 E76 L77Y48-L73 HydrophobicContact CD1-CB 3.77Å; Y48-L73 HydrophobicContact CE1-CB 4.28Å; Y48-L73 WeakPolarHBondContact O-CD1 3.44Å; H70-L73 PolarHBondContact O-N 3.41Å; L73-S75 PolarHBondContact O-N 3.29Å; L73-E76 PolarHBondContact O-N 3.15Å; L73-E76 VanDerWaalsContact O-N 3.13Å; L73-L77 PolarHBondContact O-N 2.91Å
74A90.8Very high92.7Very high25 Ų2575.8 Ų75.821%0.20740%0.398CS..Hα-helixtrans-64.8-23.7174.600000113Y48 S67 H70 K72Y48-A74 HydrophobicContact CE1-CB 4.4Å; S67-A74 WeakPolarHBondContact O-CB 3.37Å; H70-A74 WeakPolarHBondContact O-CB 3.18Å; H70-A74 PolarHBondContact O-N 3.09Å; K72-A74 PolarHBondContact O-N 3.06Å
75S91Very high92.6Very high58 Ų5875.4 Ų75.441%0.40639%0.389SS..Hα-helixtrans-76.5-27.6174.482.90000112.6P71 K72 L73 K90P71-S75 WeakPolarHBondContact O-CB 3.29Å; P71-S75 PolarHBondContact O-N 3.35Å; K72-S75 WeakPolarHBondContact O-CB 3.27Å; K72-S75 PolarHBondContact O-N 2.96Å; K72-S75 VanDerWaalsContact O-N 3.13Å; K72-S75 PolarHBondContact O-OG 3.38Å; L73-S75 PolarHBondContact O-N 3.29Å; S75-K90 WeakPolarHBondContact O-CE 3.47Å; S75-K90 PolarHBondContact O-NZ 2.97Å
76E92.9Very high92.5Very high112 Ų11272.1 Ų72.152%0.52338%0.376SS..Hα-helixtrans-91.4-39.4-176.1-68.4169.4-166.600112.1L73 P89 K90L73-E76 PolarHBondContact O-N 3.15Å; L73-E76 VanDerWaalsContact O-N 3.13Å; E76-P89 WeakPolarHBondContact O-CA 3.44Å; E76-K90 PolarHBondContact O-N 2.97Å
77L93.5Very high92.4Very high32 Ų3273.1 Ų73.117%0.16838%0.38CS..EExtended strand (participates in β ladder)trans-92.6137.3180-60.8174.8000111.5P47 Y48 L73 L87 P89P47-L77 HydrophobicContact CB-CD1 4.33Å; Y48-L77 HydrophobicContact CD1-CD1 4.24Å; Y48-L77 HydrophobicContact CE1-CB 4.39Å; Y48-L77 HydrophobicContact CE1-CD1 3.94Å; L73-L77 PolarHBondContact O-N 2.91Å; L77-L87 HydrophobicContact CB-CD2 4Å; L77-P89 HydrophobicContact CD2-CG 4.19Å
78K93.1Very high92.4Very high92 Ų9274 Ų7440%0.438%0.382SS..EExtended strand (participates in β ladder)trans-126.2145.9176.1-68.7-62.8-175.9-175.70110.6L87 M88 K90 L93K78-L87 WeakPolarHBondContact O-CA 3.45Å; K78-M88 PolarHBondContact N-O 2.96Å; K78-M88 PolarHBondContact O-N 3.08Å; K78-K90 HydrophobicContact CG-CG 3.75Å; K78-L93 HydrophobicContact CB-CD2 3.8Å
79T94.1Very high92.5Very high69 Ų6968.1 Ų68.142%0.42336%0.36SS..EExtended strand (participates in β ladder)trans-81.8140.8179.8-50.90000110.7A84 H86T79-A84 HydrophobicContact CG2-CB 4.39Å; T79-H86 WeakPolarHBondContact CA-O 3.42Å
80C94.5Very high92.4Very high6 Ų668.2 Ų68.24%0.04136%0.355CS..  trans-65.4140.2173-179.40000111.4F82 N83 H86 H96C80-F82 VanDerWaalsContact C-N 3.27Å; C80-F82 PolarHBondContact O-N 3.34Å; C80-F82 PolarHBondContact SG-N 2.99Å; C80-F82 VanDerWaalsContact SG-N 3.4Å; C80-N83 WeakPolarHBondContact CB-O 3.43Å; C80-H86 HydrophobicContact CB-CB 3.56Å; C80-H86 PolarHBondContact N-O 3.33Å; C80-H96 WeakPolarHBondContact CB-NE2 3.49Å; C80-H96 VanDerWaalsContact SG-CD2 3.56Å; C80-H96 PolarHBondContact SG-NE2 3.46Å
81P92.1Very high92.5Very high93 Ų9372.4 Ų72.460%0.60437%0.374SS*.SBendtrans-63-28.4174.7-22.833.7000114.5I97P81-I97 HydrophobicContact CG-CD1 4.05Å; P81-I97 HydrophobicContact CG-CG1 4.32Å
82F92.1Very high92.6Very high93 Ų9372 Ų7241%0.40837%0.365SS..SBendtrans-91.7-30.7-174.3-52-62.9000113.1C80 I97 C100 D102 R103C80-F82 VanDerWaalsContact C-N 3.27Å; C80-F82 PolarHBondContact O-N 3.34Å; C80-F82 PolarHBondContact SG-N 2.99Å; C80-F82 VanDerWaalsContact SG-N 3.4Å; F82-I97 HydrophobicContact CE2-CG2 3.84Å; F82-I97 HydrophobicContact CZ-CG2 4.34Å; F82-C100 HydrophobicContact CD2-CB 4.13Å; F82-D102 HydrophobicContact CB-CB 4.28Å; F82-R103 HydrophobicContact CD2-CB 3.92Å; F82-R103 HydrophobicContact CD2-CG 4.29Å; F82-R103 HydrophobicContact CE1-CG 4.27Å; F82-R103 HydrophobicContact CE2-CB 3.91Å; F82-R103 HydrophobicContact CE2-CG 3.8Å; F82-R103 HydrophobicContact CG-CB 4.33Å; F82-R103 HydrophobicContact CZ-CB 4.35Å; F82-R103 HydrophobicContact CZ-CG 3.81Å
83N91.2Very high92.7Very high34 Ų3465.2 Ų65.218%0.18234%0.337CS..  trans-141.5118.8179.3-172.9-16.6000111.4C80 R85 H86 D102C80-N83 WeakPolarHBondContact CB-O 3.43Å; N83-R85 PolarHBondContact O-N 3.48Å; N83-R85 VanDerWaalsContact O-N 3.12Å; N83-R85 VanDerWaalsContact OD1-CB 3.3Å; N83-R85 WeakPolarHBondContact OD1-CB 3.26Å; N83-R85 WeakPolarHBondContact OD1-CG 3.18Å; N83-R85 PolarHBondContact OD1-N 3.12Å; N83-H86 PolarHBondContact O-N 3.49Å; N83-H86 VanDerWaalsContact O-N 3.1Å; N83-D102 HydrophobicContact CB-CB 4.13Å; N83-D102 WeakPolarHBondContact CB-OD2 3.35Å; N83-D102 PolarHBondContact ND2-OD2 2.72Å
84A90.3Very high92.9Very high49 Ų4966.5 Ų66.541%0.40535%0.351SS..THydrogen-bonded Turntrans-66.5-12.4-179.400000114.3P60 L63 T79P60-A84 HydrophobicContact CB-CB 4.01Å; P60-A84 HydrophobicContact CG-CB 4.5Å; L63-A84 VanDerWaalsContact CD1-O 3.27Å; L63-A84 WeakPolarHBondContact CD1-O 3.48Å; T79-A84 HydrophobicContact CG2-CB 4.39Å
85R90.6Very high93.1Very high103 Ų10371.5 Ų71.539%0.38937%0.37SS..THydrogen-bonded Turntrans-79.9-23.8174.7-62.6172.159.7-175.1-5.3112.5L44 F59 P60 N83L44-R85 VanDerWaalsContact CD1-NH2 3.32Å; F59-R85 HydrophobicContact CD1-CB 4.24Å; F59-R85 HydrophobicContact CD1-CG 4.1Å; P60-R85 HydrophobicContact CG-CG 4.24Å; N83-R85 PolarHBondContact O-N 3.48Å; N83-R85 VanDerWaalsContact O-N 3.12Å; N83-R85 VanDerWaalsContact OD1-CB 3.3Å; N83-R85 WeakPolarHBondContact OD1-CB 3.26Å; N83-R85 WeakPolarHBondContact OD1-CG 3.18Å; N83-R85 PolarHBondContact OD1-N 3.12Å
86H93Very high93.3Very high57 Ų5770.1 Ų70.126%0.26436%0.357SS..  trans-81.9121.5-178.5-63.8168000110.5T79 C80 N83 H96 D102T79-H86 WeakPolarHBondContact CA-O 3.42Å; C80-H86 HydrophobicContact CB-CB 3.56Å; C80-H86 PolarHBondContact N-O 3.33Å; N83-H86 PolarHBondContact O-N 3.49Å; N83-H86 VanDerWaalsContact O-N 3.1Å; H86-H96 AromaticContact CG-CE1 3.83Å; H86-H96 AromaticContact CG-NE2 3.82Å; H86-H96 AromaticContact ND1-CE1 3.29Å; H86-H96 PolarHBondContact ND1-CE1 3.36Å; H86-H96 VanDerWaalsContact ND1-CE1 3.29Å; H86-H96 AromaticContact ND1-NE2 3.3Å; H86-H96 PolarHBondContact ND1-NE2 3.45Å; H86-D102 IonicContact CE1-OD2 2.89Å; H86-D102 PolarHBondContact CE1-OD2 2.89Å; H86-D102 IonicContact ND1-OD2 3.65Å; H86-D102 IonicContact NE2-OD2 3.56Å
87L92.9Very high93.3Very high24 Ų2467.2 Ų67.213%0.12634%0.344CS..EExtended strand (participates in β ladder)trans-120.6118.3175.1-83.3141.7000108.7P47 Y48 L63 L77 K78P47-L87 HydrophobicContact CB-CD1 4.36Å; P47-L87 HydrophobicContact CG-CD1 3.75Å; Y48-L87 VanDerWaalsContact OH-CD2 3.29Å; Y48-L87 WeakPolarHBondContact OH-CD2 3.16Å; L63-L87 HydrophobicContact CD1-CD1 3.44Å; L63-L87 VanDerWaalsContact CD1-CD1 3.44Å; L63-L87 HydrophobicContact CD1-CG 4.43Å; L63-L87 HydrophobicContact CD2-CD1 3.36Å; L63-L87 HydrophobicContact CG-CD1 3.9Å; L77-L87 HydrophobicContact CB-CD2 4Å; K78-L87 WeakPolarHBondContact O-CA 3.45Å
88M94.2Very high93.2Very high47 Ų4768.4 Ų68.423%0.23236%0.359CS..EExtended strand (participates in β ladder)trans-123.9146.7-179.3-58.4-58.9-68.300109.9K78 E92 L93 H96K78-M88 PolarHBondContact N-O 2.96Å; K78-M88 PolarHBondContact O-N 3.08Å; M88-E92 HydrophobicContact CE-CB 4.13Å; M88-L93 HydrophobicContact CB-CB 4.48Å; M88-L93 HydrophobicContact CB-CD1 4.35Å; M88-H96 HydrophobicContact CE-CB 4.23Å; M88-H96 HydrophobicContact CG-CB 3.82Å
89P94.8Very high93.2Very high36 Ų3669.1 Ų69.123%0.23437%0.367CS..EExtended strand (participates in β ladder)trans-54.7147.9165.9-24.434.7000111.5E76 L77 H91 E92 L93E76-P89 WeakPolarHBondContact O-CA 3.44Å; L77-P89 HydrophobicContact CD2-CG 4.19Å; P89-H91 WeakPolarHBondContact CB-CE1 3.24Å; P89-H91 WeakPolarHBondContact CB-ND1 3.49Å; P89-H91 PolarHBondContact O-N 3.36Å; P89-H91 VanDerWaalsContact O-N 3.12Å; P89-E92 PolarHBondContact O-N 2.78Å; P89-L93 PolarHBondContact O-N 3.14Å
90K92.7Very high93.2Very high119 Ų11966.2 Ų66.252%0.51735%0.35SS..Hα-helixtrans-49.2-40.5-179.9-79.4171.4168.4163.70114.1S75 E76 K78S75-K90 WeakPolarHBondContact O-CE 3.47Å; S75-K90 PolarHBondContact O-NZ 2.97Å; E76-K90 PolarHBondContact O-N 2.97Å; K78-K90 HydrophobicContact CG-CG 3.75Å
91H94.3Very high92.9Very high145 Ų14572.6 Ų72.667%0.67139%0.388SS*.Hα-helixtrans-73.8-26.1-17865-74.2000113.2P89P89-H91 WeakPolarHBondContact CB-CE1 3.24Å; P89-H91 WeakPolarHBondContact CB-ND1 3.49Å; P89-H91 PolarHBondContact O-N 3.36Å; P89-H91 VanDerWaalsContact O-N 3.12Å
92E94.8Very high92.7Very high81 Ų8171.2 Ų71.238%0.37938%0.376SS..Hα-helixtrans-94-16.3-178.7-64.2173.5-168.600112.7M88 P89 S94 H95 H96M88-E92 HydrophobicContact CE-CB 4.13Å; P89-E92 PolarHBondContact O-N 2.78Å; E92-S94 VanDerWaalsContact C-N 3.28Å; E92-S94 PolarHBondContact O-N 3.41Å; E92-H95 PolarHBondContact O-N 2.97Å; E92-H95 VanDerWaalsContact O-N 3.16Å; E92-H96 PolarHBondContact O-N 3.48Å
93L94.5Very high92.5Very high32 Ų3272.8 Ų72.817%0.16838%0.379CS..Hα-helixtrans-55.9-42.4-177.2-178.565000112.1K78 M88 P89 H95 H96 I97K78-L93 HydrophobicContact CB-CD2 3.8Å; M88-L93 HydrophobicContact CB-CB 4.48Å; M88-L93 HydrophobicContact CB-CD1 4.35Å; P89-L93 PolarHBondContact O-N 3.14Å; L93-H95 PolarHBondContact O-N 3.19Å; L93-H96 WeakPolarHBondContact O-CB 3.3Å; L93-H96 PolarHBondContact O-N 3.31Å; L93-I97 HydrophobicContact CD1-CD1 4.15Å; L93-I97 HydrophobicContact CD1-CG1 4.2Å; L93-I97 HydrophobicContact CD2-CD1 4.37Å; L93-I97 HydrophobicContact CG-CD1 3.81Å; L93-I97 HydrophobicContact CG-CG1 4.3Å; L93-I97 VanDerWaalsContact O-CG1 3.24Å; L93-I97 WeakPolarHBondContact O-CG1 3.39Å; L93-I97 PolarHBondContact O-N 3.4Å
94S93.7Very high91.9Very high89 Ų8978.3 Ų78.362%0.62241%0.407SS*.Hα-helixtrans-62.3-42.4179.9-56.90000112.5E92 I97 A98E92-S94 VanDerWaalsContact C-N 3.28Å; E92-S94 PolarHBondContact O-N 3.41Å; S94-I97 PolarHBondContact O-N 3.1Å; S94-A98 PolarHBondContact O-N 3.06Å
95H95.1Very high90.6Very high131 Ų13179.7 Ų79.761%0.60641%0.413SS*.Hα-helixtrans-67.3-41.3175.9177.5-100.1000111.2E92 L93 I97 A98 N99E92-H95 PolarHBondContact O-N 2.97Å; E92-H95 VanDerWaalsContact O-N 3.16Å; L93-H95 PolarHBondContact O-N 3.19Å; H95-I97 PolarHBondContact O-N 3.41Å; H95-A98 PolarHBondContact O-N 3.24Å; H95-N99 PolarHBondContact CE1-ND2 2.91Å; H95-N99 PolarHBondContact NE2-ND2 3.24Å; H95-N99 PolarHBondContact O-N 3.1Å
96H95.3Very high89.1Confident28 Ų2879.8 Ų79.813%0.1343%0.425CS..Hα-helixtrans-60.4-45.7174.7174.275000112.1C80 H86 M88 E92 L93 A98 N99 C100C80-H96 WeakPolarHBondContact CB-NE2 3.49Å; C80-H96 VanDerWaalsContact SG-CD2 3.56Å; C80-H96 PolarHBondContact SG-NE2 3.46Å; H86-H96 AromaticContact CG-CE1 3.83Å; H86-H96 AromaticContact CG-NE2 3.82Å; H86-H96 AromaticContact ND1-CE1 3.29Å; H86-H96 PolarHBondContact ND1-CE1 3.36Å; H86-H96 VanDerWaalsContact ND1-CE1 3.29Å; H86-H96 AromaticContact ND1-NE2 3.3Å; H86-H96 PolarHBondContact ND1-NE2 3.45Å; M88-H96 HydrophobicContact CE-CB 4.23Å; M88-H96 HydrophobicContact CG-CB 3.82Å; E92-H96 PolarHBondContact O-N 3.48Å; L93-H96 WeakPolarHBondContact O-CB 3.3Å; L93-H96 PolarHBondContact O-N 3.31Å; H96-A98 VanDerWaalsContact C-N 3.25Å; H96-A98 PolarHBondContact O-N 3.21Å; H96-N99 CarbonylContact O-C 3.43Å; H96-N99 PolarHBondContact O-N 3.49Å; H96-N99 VanDerWaalsContact O-N 3.1Å; H96-C100 WeakPolarHBondContact O-CA 3.5Å; H96-C100 VanDerWaalsContact O-CB 3.24Å; H96-C100 WeakPolarHBondContact O-CB 3.48Å; H96-C100 PolarHBondContact O-N 3.33Å
97I93.1Very high87Confident52 Ų5281.3 Ų81.327%0.26744%0.435SS..Hα-helixtrans-58.4-39.7180-71.7168.2000111P81 F82 L93 S94 H95 N99 R103P81-I97 HydrophobicContact CG-CD1 4.05Å; P81-I97 HydrophobicContact CG-CG1 4.32Å; F82-I97 HydrophobicContact CE2-CG2 3.84Å; F82-I97 HydrophobicContact CZ-CG2 4.34Å; L93-I97 HydrophobicContact CD1-CD1 4.15Å; L93-I97 HydrophobicContact CD1-CG1 4.2Å; L93-I97 HydrophobicContact CD2-CD1 4.37Å; L93-I97 HydrophobicContact CG-CD1 3.81Å; L93-I97 HydrophobicContact CG-CG1 4.3Å; L93-I97 VanDerWaalsContact O-CG1 3.24Å; L93-I97 WeakPolarHBondContact O-CG1 3.39Å; L93-I97 PolarHBondContact O-N 3.4Å; S94-I97 PolarHBondContact O-N 3.1Å; H95-I97 PolarHBondContact O-N 3.41Å; I97-N99 VanDerWaalsContact C-N 3.33Å; I97-N99 PolarHBondContact O-N 3.42Å; I97-R103 WeakPolarHBondContact O-CD 3.36Å
98A91.8Very high85.2Confident57 Ų5784 Ų8447%0.47146%0.461SS..Hα-helixtrans-65.4-36.317800000112.8S94 H95 H96S94-A98 PolarHBondContact O-N 3.06Å; H95-A98 PolarHBondContact O-N 3.24Å; H96-A98 VanDerWaalsContact C-N 3.25Å; H96-A98 PolarHBondContact O-N 3.21Å
99N92.3Very high83.3Confident106 Ų10689.1 Ų89.157%0.56748%0.484SS*.Hα-helixtrans-112.713.2-170.3-59.7-0.8000113.4H95 H96 I97 V101H95-N99 PolarHBondContact CE1-ND2 2.91Å; H95-N99 PolarHBondContact NE2-ND2 3.24Å; H95-N99 PolarHBondContact O-N 3.1Å; H96-N99 CarbonylContact O-C 3.43Å; H96-N99 PolarHBondContact O-N 3.49Å; H96-N99 VanDerWaalsContact O-N 3.1Å; I97-N99 VanDerWaalsContact C-N 3.33Å; I97-N99 PolarHBondContact O-N 3.42Å; N99-V101 PolarHBondContact O-N 3.25Å
100C93.1Very high81.3Confident9 Ų992.8 Ų92.86%0.06150%0.502CS..  trans-68.7130.4-174.7-175.70000110F82 H96 D102 R103F82-C100 HydrophobicContact CD2-CB 4.13Å; H96-C100 WeakPolarHBondContact O-CA 3.5Å; H96-C100 VanDerWaalsContact O-CB 3.24Å; H96-C100 WeakPolarHBondContact O-CB 3.48Å; H96-C100 PolarHBondContact O-N 3.33Å; C100-D102 PolarHBondContact O-N 3.5Å; C100-R103 HydrophobicContact CB-CB 4.11Å; C100-R103 VanDerWaalsContact O-CB 3.22Å; C100-R103 WeakPolarHBondContact O-CB 3.22Å; C100-R103 PolarHBondContact O-N 3.16Å; C100-R103 VanDerWaalsContact O-N 3.08Å
101V88.8Confident79.4Confident139 Ų13991.8 Ų91.884%0.84250%0.502SS*.THydrogen-bonded Turntrans-62.7-34.2178.3-1770000111.7N99 R103N99-V101 PolarHBondContact O-N 3.25Å; V101-R103 PolarHBondContact O-N 3.45Å
102D88Confident77.1Confident65 Ų6588.3 Ų88.335%0.34851%0.505SS..THydrogen-bonded Turntrans-82.41178.8-55.2-53.7000113.3F82 N83 H86 C100 I104F82-D102 HydrophobicContact CB-CB 4.28Å; N83-D102 HydrophobicContact CB-CB 4.13Å; N83-D102 WeakPolarHBondContact CB-OD2 3.35Å; N83-D102 PolarHBondContact ND2-OD2 2.72Å; H86-D102 IonicContact CE1-OD2 2.89Å; H86-D102 PolarHBondContact CE1-OD2 2.89Å; H86-D102 IonicContact ND1-OD2 3.65Å; H86-D102 IonicContact NE2-OD2 3.56Å; C100-D102 PolarHBondContact O-N 3.5Å; D102-I104 PolarHBondContact O-N 3.27Å
103R88.3Confident75Confident125 Ų12586.9 Ų86.947%0.47250%0.504SS..  trans-73.396.5174.1-179.3171.6174.8-105.8-3.3108F82 I97 C100 V101 S105F82-R103 HydrophobicContact CD2-CB 3.92Å; F82-R103 HydrophobicContact CD2-CG 4.29Å; F82-R103 HydrophobicContact CE1-CG 4.27Å; F82-R103 HydrophobicContact CE2-CB 3.91Å; F82-R103 HydrophobicContact CE2-CG 3.8Å; F82-R103 HydrophobicContact CG-CB 4.33Å; F82-R103 HydrophobicContact CZ-CB 4.35Å; F82-R103 HydrophobicContact CZ-CG 3.81Å; I97-R103 WeakPolarHBondContact O-CD 3.36Å; C100-R103 HydrophobicContact CB-CB 4.11Å; C100-R103 VanDerWaalsContact O-CB 3.22Å; C100-R103 WeakPolarHBondContact O-CB 3.22Å; C100-R103 PolarHBondContact O-N 3.16Å; C100-R103 VanDerWaalsContact O-N 3.08Å; V101-R103 PolarHBondContact O-N 3.45Å; R103-S105 PolarHBondContact O-N 3.29Å
104I77.8Confident73.1Confident150 Ų15089.6 Ų89.677%0.76953%0.531SS*.  trans-64.9106.1171.1-55.6174.6000107.3D102 V106D102-I104 PolarHBondContact O-N 3.27Å; I104-V106 PolarHBondContact O-N 3.3Å; I104-V106 VanDerWaalsContact O-N 3.15Å
105S63.3Low71.3Confident78 Ų7892.4 Ų92.455%0.54553%0.534SS..  trans-69.5107169.652.10000107.7R103 N107R103-S105 PolarHBondContact O-N 3.29Å; S105-N107 VanDerWaalsContact C-N 3.33Å; S105-N107 PolarHBondContact O-N 3.21Å
106V59.7Low69.3Low106 Ų10688.6 Ų88.664%0.64252%0.52SS*.  trans-64.9101.8165-177.90000105.9I104 A108 L111I104-V106 PolarHBondContact O-N 3.3Å; I104-V106 VanDerWaalsContact O-N 3.15Å; V106-A108 PolarHBondContact O-N 2.88Å; V106-L111 HydrophobicContact CG1-CD1 4.41Å
107N49.8Very low67.3Low88 Ų8894.1 Ų94.147%0.47155%0.546SS..  trans-66.6126.8179.2-117.917.9000108.1S105 E109 D110S105-N107 VanDerWaalsContact C-N 3.33Å; S105-N107 PolarHBondContact O-N 3.21Å; N107-E109 HydrophobicContact CB-CG 3.91Å; N107-E109 PolarHBondContact ND2-OE1 3.1Å; N107-E109 PolarHBondContact O-N 3.35Å; N107-D110 PolarHBondContact O-N 3.39Å
108A54.1Low65.7Low80 Ų8094.9 Ų94.966%0.66156%0.556SS**G310 helixtrans-62.6-15.5-175.600000113.4V106 D110 L111V106-A108 PolarHBondContact O-N 2.88Å; A108-D110 VanDerWaalsContact C-N 3.28Å; A108-D110 PolarHBondContact O-N 3.12Å; A108-L111 PolarHBondContact O-N 2.98Å
109E54.3Low64.1Low156 Ų156100.6 Ų100.673%0.72957%0.57SS**G310 helixtrans-70.7-16.9173.157-164.8-174.100113.9N107N107-E109 HydrophobicContact CB-CG 3.91Å; N107-E109 PolarHBondContact ND2-OE1 3.1Å; N107-E109 PolarHBondContact O-N 3.35Å
110D52.8Low62.6Low112 Ų112105.4 Ų105.460%0.59958%0.581SS**G310 helixtrans-85.7-8.7170-166.137.4000112.7N107 A108N107-D110 PolarHBondContact O-N 3.39Å; A108-D110 VanDerWaalsContact C-N 3.28Å; A108-D110 PolarHBondContact O-N 3.12Å
111L52.1Low61.4Low99 Ų99111.6 Ų111.652%0.51861%0.609SS.*SBendtrans-981.7174.6-63.4174.7000112.8V106 A108 S113V106-L111 HydrophobicContact CG1-CD1 4.41Å; A108-L111 PolarHBondContact O-N 2.98Å; L111-S113 VanDerWaalsContact C-N 3.3Å; L111-S113 PolarHBondContact O-N 3.24Å
112G47.2Very low60.6Low71 Ų71111 Ų11173%0.73261%0.605SS**  trans-81.81.5178.100000115
113S49.3Very low59.9Low51 Ų51113.1 Ų113.136%0.35762%0.623SS.*  trans-107.4109.2168.3-150.80000108.9L111 E115 V116L111-S113 VanDerWaalsContact C-N 3.3Å; L111-S113 PolarHBondContact O-N 3.24Å; S113-E115 PolarHBondContact O-N 3.39Å; S113-V116 PolarHBondContact O-N 3.08Å
114A55.3Low59.1Low90 Ų90113.7 Ų113.774%0.74464%0.64SS**Hα-helixtrans-52.6-10.7173.100000113.4
115E56Low59.1Low147 Ų147111.2 Ų111.269%0.68764%0.635SS**Hα-helixtrans-74.1-24.3174.5-61.3-176.8151.800114.5S113 S118S113-E115 PolarHBondContact O-N 3.39Å; E115-S118 PolarHBondContact O-OG 3.35Å
116V52.8Low59.4Low52 Ų52113.9 Ų113.932%0.31565%0.649SS.*Hα-helixtrans-80.4-31.2-176.6-178.80000111.9S113 S118 K119S113-V116 PolarHBondContact O-N 3.08Å; V116-S118 VanDerWaalsContact C-N 3.34Å; V116-K119 PolarHBondContact O-N 2.78Å
117Q53.7Low59.9Low143 Ų143117.7 Ų117.767%0.66865%0.652SS**Hα-helixtrans-72.9-24.3175.6-70.2-175300113.1
118S58.5Low60.8Low69 Ų69119.1 Ų119.148%0.48366%0.664SS.*Hα-helixtrans-78.2-26.817569.80000112.6E115 V116 W120 Q121E115-S118 PolarHBondContact O-OG 3.35Å; V116-S118 VanDerWaalsContact C-N 3.34Å; S118-W120 VanDerWaalsContact C-N 3.31Å; S118-W120 PolarHBondContact O-N 3.1Å; S118-Q121 PolarHBondContact O-N 3.49Å
119K58.5Low61.6Low177 Ų177121 Ų12177%0.7766%0.663SS**Hα-helixtrans-69-23.8-178.7-174.7170.6-179.7177.10114.4V116V116-K119 PolarHBondContact O-N 2.78Å
120W61.3Low62.3Low206 Ų206118.3 Ų118.378%0.7866%0.657SS**THydrogen-bonded Turntrans-99.84.8-179.1-71.998.1000114.1S118 V122S118-W120 VanDerWaalsContact C-N 3.31Å; S118-W120 PolarHBondContact O-N 3.1Å; W120-V122 PolarHBondContact O-N 3.3Å
121Q67.1Low62.9Low140 Ų140118.9 Ų118.965%0.65466%0.66SS**  trans-70.798.8169.7-64.1177.226.700107.9S118 P123S118-Q121 PolarHBondContact O-N 3.49Å; Q121-P123 WeakPolarHBondContact O-CD 3.21Å
122V72.7Confident63.4Low127 Ų127118.4 Ų118.477%0.7766%0.664SS**  trans-63.2114.9168.1-179.20000106.4W120 V124W120-V122 PolarHBondContact O-N 3.3Å; V122-V124 PolarHBondContact O-N 3.31Å
123P73.3Confident64.5Low109 Ų109121.1 Ų121.171%0.70866%0.662SS**  trans-57.6129.2176.7-21.233.2000108.4Q121 S125Q121-P123 WeakPolarHBondContact O-CD 3.21Å; P123-S125 PolarHBondContact O-N 2.85Å
124V72.6Confident65.4Low137 Ų137126.3 Ų126.383%0.8368%0.68SS**  trans-59111.6172.5174.30000106.8V122 T126V122-V124 PolarHBondContact O-N 3.31Å; V124-T126 PolarHBondContact O-N 3.46Å
125S76.2Confident66.1Low97 Ų97125.6 Ų125.668%0.67866%0.664SS**  trans-58.3115.7-179.3-178.30000109P123 W127P123-S125 PolarHBondContact O-N 2.85Å; S125-W127 PolarHBondContact O-N 3.4Å; S125-W127 WeakPolarHBondContact OG-CB 3.24Å; S125-W127 PolarHBondContact OG-N 3.35Å
126T70.9Confident67.2Low135 Ų135128.9 Ų128.983%0.82867%0.67SS**  trans-82.412.7171.7-19.80000111.3V124 T128V124-T126 PolarHBondContact O-N 3.46Å; T126-T128 PolarHBondContact O-N 2.98Å
127W70.3Confident68Low186 Ų186133 Ų13371%0.70569%0.69SS**  trans-64.4100.6-179.3-176.3-97000110.5S125S125-W127 PolarHBondContact O-N 3.4Å; S125-W127 WeakPolarHBondContact OG-CB 3.24Å; S125-W127 PolarHBondContact OG-N 3.35Å
128T68.3Low68.6Low118 Ų118133.5 Ų133.572%0.72469%0.69SS**  trans-81.9130.9163.3-31.20000107.6T126 T130T126-T128 PolarHBondContact O-N 2.98Å; T128-T130 PolarHBondContact O-N 3.33Å
129N70.4Confident68.9Low119 Ų119138.1 Ų138.164%0.63670%0.704SS**  trans-59.4103176.9-155.34.4000108.8N131N129-N131 PolarHBondContact O-N 3.08Å
130T69.3Low69.2Low99 Ų99132.9 Ų132.961%0.60769%0.694SS**  trans-59.4121.7170.940.20000107.1T128 C132T128-T130 PolarHBondContact O-N 3.33Å; T130-C132 PolarHBondContact O-N 3.16Å
131N65.6Low69.2Low125 Ų125128.7 Ų128.767%0.66869%0.687SS**  trans-35.6108.1-175.8-17830.2000111.3N129 D133N129-N131 PolarHBondContact O-N 3.08Å; N131-D133 VanDerWaalsContact C-N 3.35Å; N131-D133 PolarHBondContact ND2-OD1 3.13Å; N131-D133 PolarHBondContact O-N 3.14Å
132C62.1Low68.8Low88 Ų88130.2 Ų130.260%0.59570%0.698SS**  trans-76.190.9176.7-65.40000107.6T130 E134T130-C132 PolarHBondContact O-N 3.16Å; C132-E134 PolarHBondContact O-N 3.46Å
133D70.3Confident68.2Low129 Ų129129 Ų12969%0.6970%0.695SS**  trans-72.4-4.1172.9-69-45.6000112.5N131 D135N131-D133 VanDerWaalsContact C-N 3.35Å; N131-D133 PolarHBondContact ND2-OD1 3.13Å; N131-D133 PolarHBondContact O-N 3.14Å; D133-D135 PolarHBondContact O-N 3.1Å
134E68.9Low67.7Low159 Ų159128.2 Ų128.274%0.74369%0.692SS**  trans-8890.2175.9-70176.3173.100111C132 W136C132-E134 PolarHBondContact O-N 3.46Å; E134-W136 PolarHBondContact O-N 2.99Å
135D70.4Confident67.5Low75 Ų75127 Ų12740%0.40169%0.685SS.*  trans-86.699.2175-176.25.6000110.4D133 D137 K138D133-D135 PolarHBondContact O-N 3.1Å; D135-D137 PolarHBondContact O-N 3.24Å; D135-D137 VanDerWaalsContact O-N 3.1Å; D135-D137 WeakPolarHBondContact OD1-CB 3.4Å; D135-D137 PolarHBondContact OD1-N 3.08Å; D135-D137 VanDerWaalsContact OD1-N 3.11Å; D135-K138 HydrophobicContact CB-CD 3.98Å; D135-K138 HydrophobicContact CB-CG 4.07Å; D135-K138 PolarHBondContact O-N 2.66Å; D135-K138 VanDerWaalsContact O-N 3.09Å; D135-K138 VanDerWaalsContact OD2-CE 3.29Å; D135-K138 WeakPolarHBondContact OD2-CE 3.19Å
136W77.8Confident67.3Low216 Ų216127.9 Ų127.982%0.81869%0.688SS**THydrogen-bonded Turntrans-63.1-9.8178-70.391.6000113.6E134E134-W136 PolarHBondContact O-N 2.99Å
137D69.9Low67.1Low138 Ų138130 Ų13074%0.73869%0.686SS**THydrogen-bonded Turntrans-82.9-10.2174-73.5-23.5000113.2D135D135-D137 PolarHBondContact O-N 3.24Å; D135-D137 VanDerWaalsContact O-N 3.1Å; D135-D137 WeakPolarHBondContact OD1-CB 3.4Å; D135-D137 PolarHBondContact OD1-N 3.08Å; D135-D137 VanDerWaalsContact OD1-N 3.11Å
138K66.3Low67.5Low154 Ų154125.6 Ų125.667%0.6768%0.679SS**THydrogen-bonded Turntrans-80-18.6179.9-72.4178.8-173.4165.80114.8D135D135-K138 HydrophobicContact CB-CD 3.98Å; D135-K138 HydrophobicContact CB-CG 4.07Å; D135-K138 PolarHBondContact O-N 2.66Å; D135-K138 VanDerWaalsContact O-N 3.09Å; D135-K138 VanDerWaalsContact OD2-CE 3.29Å; D135-K138 WeakPolarHBondContact OD2-CE 3.19Å
139E64.4Low67.1Low167 Ų167131.4 Ų131.478%0.7869%0.688SS**THydrogen-bonded Turntrans-93.64.1-179.4-63.9-66.1152.100113D141E139-D141 VanDerWaalsContact C-N 3.32Å; E139-D141 PolarHBondContact O-N 2.95Å
140A65Low66.7Low66 Ų66129.4 Ų129.455%0.54570%0.696SS.*  trans-73.690.6168.600000108.5I142A140-I142 WeakPolarHBondContact O-CG1 3.37Å; A140-I142 PolarHBondContact O-N 3.18Å
141D62.3Low66.2Low118 Ų118129.4 Ų129.463%0.63170%0.695SS**  trans-58.399.5170.5-1541.3000108.2E139 S143 S144E139-D141 VanDerWaalsContact C-N 3.32Å; E139-D141 PolarHBondContact O-N 2.95Å; D141-S143 PolarHBondContact O-N 3.15Å; D141-S144 PolarHBondContact O-N 3.45Å; D141-S144 PolarHBondContact O-OG 3.06Å
142I57.9Low65.7Low173 Ų173128 Ų12889%0.88770%0.695SS**THydrogen-bonded Turntrans-60.8-8.8-176.1-56.4166.1000110.9A140A140-I142 WeakPolarHBondContact O-CG1 3.37Å; A140-I142 PolarHBondContact O-N 3.18Å
143S60.3Low65.6Low101 Ų101128.7 Ų128.771%0.70670%0.697SS**THydrogen-bonded Turntrans-85.3-5.4174.4-175.10000114.4D141 V145D141-S143 PolarHBondContact O-N 3.15Å; S143-V145 PolarHBondContact O-N 3.37Å
144S62.5Low64.9Low93 Ų93129.3 Ų129.365%0.6570%0.7SS**SBendtrans-69.8120.7179.257.60000110.9D141D141-S144 PolarHBondContact O-N 3.45Å; D141-S144 PolarHBondContact O-OG 3.06Å
145V68Low64.2Low111 Ų111129.7 Ų129.767%0.67371%0.707SS**PPolyproline II helixtrans-54.6131.4177.2-93.20000109.7S143 F147 I156S143-V145 PolarHBondContact O-N 3.37Å; V145-F147 PolarHBondContact O-N 3.01Å; V145-I156 HydrophobicContact CG2-CD1 4.47Å
146P71.8Confident63.3Low115 Ų115132.2 Ų132.275%0.74772%0.719SS**PPolyproline II helixtrans-55.5125.3-177.4-2330.4000110.6V148P146-V148 PolarHBondContact O-N 3.01Å
147F67.9Low62.2Low181 Ų181127 Ų12779%0.79472%0.715SS**PPolyproline II helixtrans-71.1117.8169.883.8-87.3000107.6V145V145-F147 PolarHBondContact O-N 3.01Å
148V78.1Confident61.2Low93 Ų93129 Ų12956%0.56472%0.72SS**  trans-104113.6176.1-177.30000107.9P146 G150 V151P146-V148 PolarHBondContact O-N 3.01Å; V148-G150 PolarHBondContact O-N 3.41Å; V148-G150 VanDerWaalsContact O-N 3.14Å; V148-V151 HydrophobicContact CB-CB 4.46Å; V148-V151 HydrophobicContact CB-CG2 4.29Å; V148-V151 HydrophobicContact CG1-CB 4.44Å; V148-V151 HydrophobicContact CG1-CG2 3.75Å; V148-V151 PolarHBondContact O-N 3.1Å
149W60.2Low60.5Low239 Ų239129.9 Ų129.991%0.90573%0.732SS**THydrogen-bonded Turntrans-64.3116178.9-169.3-90.5000110.4
150G60.8Low59.4Low78 Ų78132.8 Ų132.880%0.80474%0.736SS**THydrogen-bonded Turntrans104.12.6178.100000116.1V148V148-G150 PolarHBondContact O-N 3.41Å; V148-G150 VanDerWaalsContact O-N 3.14Å
151V59.7Low58.4Low98 Ų98136.2 Ų136.259%0.59475%0.75SS**  trans-117.5121176.4-170.10000110.3V148 T153V148-V151 HydrophobicContact CB-CB 4.46Å; V148-V151 HydrophobicContact CB-CG2 4.29Å; V148-V151 HydrophobicContact CG1-CB 4.44Å; V148-V151 HydrophobicContact CG1-CG2 3.75Å; V148-V151 PolarHBondContact O-N 3.1Å; V151-T153 PolarHBondContact O-N 3.02Å
152S54.9Low57.3Low95 Ų95138.6 Ų138.666%0.66476%0.757SS**  trans-86.1106.4-179.5-163.90000110.6N154S152-N154 PolarHBondContact O-N 3.27Å; S152-N154 VanDerWaalsContact O-N 3.13Å; S152-N154 PolarHBondContact OG-ND2 3.18Å; S152-N154 VanDerWaalsContact OG-ND2 3.16Å
153T60.6Low56.4Low104 Ų104135.3 Ų135.364%0.63875%0.748SS**  trans-85.167.9177.843.80000112.1V151 L155V151-T153 PolarHBondContact O-N 3.02Å; T153-L155 PolarHBondContact O-N 3.45Å; T153-L155 VanDerWaalsContact O-N 3.08Å
154N55.9Low55.6Low141 Ų141135.9 Ų135.975%0.75475%0.75SS**THydrogen-bonded Turntrans-76.821.9175.5-76.2-43.1000114.8S152S152-N154 PolarHBondContact O-N 3.27Å; S152-N154 VanDerWaalsContact O-N 3.13Å; S152-N154 PolarHBondContact OG-ND2 3.18Å; S152-N154 VanDerWaalsContact OG-ND2 3.16Å
155L54Low54.8Low167 Ų167136.7 Ų136.787%0.87475%0.751SS**THydrogen-bonded Turntrans-119.10.7-177.6-83.8163.1000115.1T153 S157T153-L155 PolarHBondContact O-N 3.45Å; T153-L155 VanDerWaalsContact O-N 3.08Å; L155-S157 PolarHBondContact O-N 3.46Å
156I51.8Low53.9Low128 Ų128136.2 Ų136.266%0.65675%0.749SS**  trans-103.447.9179.4-46.7172.8000110V145V145-I156 HydrophobicContact CG2-CD1 4.47Å
157S53.3Low53.1Low106 Ų106137.1 Ų137.174%0.74175%0.748SS**  trans-130.857.9176.5-172.70000110.3L155L155-S157 PolarHBondContact O-N 3.46Å
158Q49.9Very low52.5Low182 Ų182135.8 Ų135.885%0.8575%0.748SS**SBendtrans-139-2.6168.3-75.6-160.3-22.700117.3
159N50.3Low51.5Low171 Ų171138.7 Ų138.791%0.91476%0.76SS**  trans-155.489172.3-87.4-40.4000112.6
160R42.1Very low51.1Low229 Ų229133.6 Ų133.686%0.86476%0.755SS**  trans-146119.2151-149.3178.8-154.7-1466109.1E162R160-E162 PolarHBondContact O-N 3.48Å
161T43.7Very low50.5Low137 Ų137136.2 Ų136.284%0.8476%0.758SS**PPolyproline II helixtrans-65.6124.8172.9-510000109.2
162E39.8Very low50.3Low168 Ų168134.8 Ų134.879%0.78576%0.763SS**PPolyproline II helixtrans-57.8135.5178.2-64.8-76.2143.700113.3R160R160-E162 PolarHBondContact O-N 3.48Å
163P38.8Very low50.2Low105 Ų105139 Ų13968%0.68278%0.778SS**PPolyproline II helixtrans-100.6117.3143.921.5-5.8000109.5T165P163-T165 PolarHBondContact O-N 2.96Å
164C43.7Very low50.3Low112 Ų112143.1 Ų143.176%0.75778%0.782SS**  trans-55.8107.9174.6178.70000110.6
165T45.1Very low50.3Low110 Ų110140.2 Ų140.268%0.67578%0.777SS**  trans-112.3104.8165.7-49.30000108.1P163 N167P163-T165 PolarHBondContact O-N 2.96Å; T165-N167 PolarHBondContact O-N 3.04Å; T165-N167 VanDerWaalsContact O-N 3.1Å
166T49.4Very low50Low101 Ų101137.7 Ų137.762%0.6277%0.771SS**  trans-74.297.7-177.661.20000110N168T166-N168 PolarHBondContact O-N 2.96Å
167N54.3Low50.1Low135 Ų135141.3 Ų141.372%0.72278%0.776SS**  trans-90.297.2170.8-62.8-37.1000109T165 L169T165-N167 PolarHBondContact O-N 3.04Å; T165-N167 VanDerWaalsContact O-N 3.1Å; N167-L169 PolarHBondContact O-N 2.83Å
168N57Low50.2Low152 Ų152141.9 Ų141.981%0.81378%0.775SS**  trans-72.987.3172-70.3-63.9000110T166T166-N168 PolarHBondContact O-N 2.96Å
169L55.9Low50.5Low155 Ų155140.5 Ų140.581%0.81277%0.773SS**  trans-110.1130163.5-66.9177.7000109.9N167N167-L169 PolarHBondContact O-N 2.83Å
170T52.4Low50.6Low131 Ų131137.6 Ų137.680%0.80476%0.763SS**  trans-58.5133-179.5-34.40000110.7G172T170-G172 PolarHBondContact O-N 2.93Å; T170-G172 VanDerWaalsContact O-N 3.1Å
171P47.6Very low50.7Low133 Ų133136.2 Ų136.286%0.86476%0.758SS**THydrogen-bonded Turntrans-69109.2177.5-14.928.5000110.2
172G56.7Low50.7Low68 Ų68139.7 Ų139.770%0.70176%0.762SS**THydrogen-bonded Turntrans177.7-18.1178.100000118.8T170 R174T170-G172 PolarHBondContact O-N 2.93Å; T170-G172 VanDerWaalsContact O-N 3.1Å; G172-R174 PolarHBondContact O-N 2.99Å; G172-R174 VanDerWaalsContact O-N 3.08Å
173L51.1Low51Low184 Ų184138.9 Ų138.996%0.96376%0.76SS**  trans-89.282.4-178.4-61.4178.2000111
174R63.4Low51Low191 Ų191138.4 Ų138.472%0.72176%0.758SS**PPolyproline II helixtrans-88.7121.1170.1-161.7179.6-71.6-174.6-3.8108.4G172G172-R174 PolarHBondContact O-N 2.99Å; G172-R174 VanDerWaalsContact O-N 3.08Å
175A55.2Low51.3Low80 Ų80142.6 Ų142.666%0.66176%0.763SS**PPolyproline II helixtrans-54.8139.9173.300000110.6R177A175-R177 PolarHBondContact O-N 2.84Å
176P48.7Very low51.4Low114 Ų114141.5 Ų141.574%0.7476%0.76SS**PPolyproline II helixtrans-62.6125.6-179.5-10.822.6000109.8T178P176-T178 PolarHBondContact O-N 3.43Å
177R54.9Low51.4Low203 Ų203141 Ų14177%0.76676%0.759SS**SBendtrans-74.713.8-179.1-86.9-166.7-78.5-111.86.9114.9A175A175-R177 PolarHBondContact O-N 2.84Å
178T55.3Low51Low119 Ų119141.5 Ų141.573%0.7376%0.761SS**  trans-142.3107177.456.30000110.5P176P176-T178 PolarHBondContact O-N 3.43Å
179L56.3Low50.5Low152 Ų152140 Ų14080%0.79675%0.752SS**  trans-69.6140.5163.1-63.2169.4000108.7W181L179-W181 PolarHBondContact O-N 2.98Å; L179-W181 VanDerWaalsContact O-N 3.1Å
180P50.4Low50Low110 Ų110136.2 Ų136.271%0.71474%0.738SS**SBendtrans-76.96.4-172.229.6-32.9000114.5
181W44.6Very low49.6Very low201 Ų201137.4 Ų137.476%0.76173%0.732SS**  trans-107.899.6-174.8-47.498.2000110.5L179 M183L179-W181 PolarHBondContact O-N 2.98Å; L179-W181 VanDerWaalsContact O-N 3.1Å; W181-M183 HydrophobicContact CB-CE 3.62Å; W181-M183 PolarHBondContact O-N 3.36Å; W181-M183 VanDerWaalsContact O-N 3.09Å
182K44.1Very low49.7Very low209 Ų209137.2 Ų137.291%0.90972%0.721SS**  trans-67.4103.6165.4-70.3-169.1178.8-175.90108.5C184K182-C184 PolarHBondContact O-N 3.41Å
183M46.5Very low49.4Very low151 Ų151139.4 Ų139.474%0.74472%0.716SS**  trans-72.3106.4169.8-65.3-66.8100.600108.9W181 K185W181-M183 HydrophobicContact CB-CE 3.62Å; W181-M183 PolarHBondContact O-N 3.36Å; W181-M183 VanDerWaalsContact O-N 3.09Å; M183-K185 PolarHBondContact O-N 3.09Å
184C39Very low49.3Very low96 Ų96137.6 Ų137.665%0.64970%0.703SS**  trans-73.8122.8170.1-159.20000108.3K182 S186 C187K182-C184 PolarHBondContact O-N 3.41Å; C184-S186 PolarHBondContact O-N 3.22Å; C184-C187 PolarHBondContact O-N 2.97Å
185K49.4Very low48.6Very low200 Ų200134.1 Ų134.187%0.8770%0.695SS**THydrogen-bonded Turntrans-61.4-1.8-174.3-68.5-179.3177.7177.60114.7M183M183-K185 PolarHBondContact O-N 3.09Å
186S47.4Very low48.4Very low87 Ų87133.7 Ų133.761%0.60869%0.687SS**THydrogen-bonded Turntrans-81.4-15.7175.548.70000114.3C184C184-S186 PolarHBondContact O-N 3.22Å
187C49.4Very low48.5Very low89 Ų89132.8 Ų132.860%0.60168%0.679SS**SBendtrans-91.5-14.1-172.3-133.90000115.1C184 I189 C190C184-C187 PolarHBondContact O-N 2.97Å; C187-I189 VanDerWaalsContact C-N 3.26Å; C187-I189 PolarHBondContact O-N 3.11Å; C187-C190 PolarHBondContact O-N 3.1Å
188L45Very low48.1Very low146 Ų146130.2 Ų130.276%0.76467%0.674SS**Hα-helixtrans-68.6-26.1-179.9-129.582.3000112.7
189I47.9Very low47.8Very low120 Ų120129.6 Ų129.662%0.61567%0.666SS**Hα-helixtrans-78.3-30.9-179-50168.3000110.3C187 L193C187-I189 VanDerWaalsContact C-N 3.26Å; C187-I189 PolarHBondContact O-N 3.11Å; I189-L193 HydrophobicContact CG2-CD1 4.24Å; I189-L193 PolarHBondContact O-N 2.96Å
190C44Very low47.4Very low77 Ų77129.3 Ų129.352%0.5266%0.662SS.*Hα-helixtrans-75.7-31.2-178.5-1430000112.7C187 Q194C187-C190 PolarHBondContact O-N 3.1Å; C190-Q194 PolarHBondContact O-N 3.31Å
191F43.8Very low47.5Very low155 Ų155129.2 Ų129.268%0.6866%0.659SS**Hα-helixtrans-74.1-27.2177.8-134.2-91.6000112.9
192M50.1Low47.2Very low129 Ų129128 Ų12864%0.63566%0.655SS**Hα-helixtrans-80-27.4175.2-66.4-67102.700112.9S196M192-S196 PolarHBondContact O-N 3.05Å
193L51.4Low47.4Very low114 Ų114121.8 Ų121.860%0.59764%0.637SS**Hα-helixtrans-75.2-27.2175.2-82.1157.8000113.1I189 V197I189-L193 HydrophobicContact CG2-CD1 4.24Å; I189-L193 PolarHBondContact O-N 2.96Å; L193-V197 WeakPolarHBondContact O-CG2 3.19Å
194Q49.1Very low47.5Very low146 Ų146121.9 Ų121.968%0.68264%0.635SS**Hα-helixtrans-75.3-24.6174.3-147.7841500113C190C190-Q194 PolarHBondContact O-N 3.31Å
195H47.4Very low47.9Very low118 Ų118120.1 Ų120.155%0.54663%0.628SS.*Hα-helixtrans-84.2-23.5179.5-125.5-95.2000113.4
196S50.6Low47.9Very low72 Ų72115 Ų11550%0.50361%0.613SS.*Hα-helixtrans-76-37.3178.9-173.50000112.8M192 F198 L199M192-S196 PolarHBondContact O-N 3.05Å; S196-F198 VanDerWaalsContact C-N 3.3Å; S196-F198 PolarHBondContact O-N 3.35Å; S196-L199 PolarHBondContact O-N 3.28Å
197V50.7Low47.6Very low94 Ų94118.9 Ų118.957%0.5762%0.62SS**Hα-helixtrans-70.8-27.1175.6-125.50000112.4L193L193-V197 WeakPolarHBondContact O-CG2 3.19Å
198F46.9Very low47.3Very low149 Ų149118.6 Ų118.665%0.65462%0.619SS**Hα-helixtrans-72.9-28.9179.1-146-97.2000112.6S196 W202S196-F198 VanDerWaalsContact C-N 3.3Å; S196-F198 PolarHBondContact O-N 3.35Å; F198-W202 PolarHBondContact O-N 2.96Å
199L49.9Very low47.1Very low107 Ų107116.1 Ų116.156%0.5661%0.612SS**Hα-helixtrans-77.3-32.1176.8-71.6171.7000113.1S196 S203S196-L199 PolarHBondContact O-N 3.28Å; L199-S203 PolarHBondContact O-N 2.89Å; L199-S203 PolarHBondContact O-OG 3.33Å
200M48.3Very low46.7Very low146 Ų146115 Ų11572%0.71961%0.614SS**Hα-helixtrans-72.9-32.8178.2-84.3177.816100113.5
201V52.6Low46.8Very low108 Ų108115.1 Ų115.166%0.65561%0.613SS**Hα-helixtrans-76.2-30177.9-177.30000111.5
202W37.7Very low46.9Very low176 Ų176112.8 Ų112.867%0.66761%0.611SS**Hα-helixtrans-77.3-30.9179.6-146.39.2000113.1F198 H204 A205 V206F198-W202 PolarHBondContact O-N 2.96Å; W202-H204 PolarHBondContact O-N 3.21Å; W202-A205 PolarHBondContact O-N 3.45Å; W202-V206 WeakPolarHBondContact O-CG2 3.29Å; W202-V206 PolarHBondContact O-N 2.93Å
203S47.5Very low46.7Very low78 Ų78111 Ų11155%0.54561%0.611SS.*Hα-helixtrans-68.2-31.4175.2-66.60000113.9L199 F207L199-S203 PolarHBondContact O-N 2.89Å; L199-S203 PolarHBondContact O-OG 3.33Å; S203-F207 PolarHBondContact O-N 2.77Å
204H48.5Very low46.4Very low152 Ų152112.9 Ų112.970%0.70462%0.621SS**Hα-helixtrans-75.8-32.5176.1-88-130.5000113.2W202 S208W202-H204 PolarHBondContact O-N 3.21Å; H204-S208 PolarHBondContact O-N 3.03Å; H204-S208 VanDerWaalsContact O-N 3.1Å
205A47.7Very low46.2Very low59 Ų59114 Ų11449%0.48862%0.624SS.*Hα-helixtrans-70.4-35.2178.900000112.7W202W202-A205 PolarHBondContact O-N 3.45Å
206V49.9Very low46.3Very low93 Ų93112.9 Ų112.956%0.56463%0.629SS**Hα-helixtrans-74.9-32.9177.2-175.70000111.4W202W202-V206 WeakPolarHBondContact O-CG2 3.29Å; W202-V206 PolarHBondContact O-N 2.93Å
207F41.4Very low46.3Very low169 Ų169117.2 Ų117.274%0.74165%0.645SS**Hα-helixtrans-75.6-32177.3-121.2-96000113.7S203S203-F207 PolarHBondContact O-N 2.77Å
208S43.1Very low45.8Very low83 Ų83124.7 Ų124.758%0.5866%0.663SS**Hα-helixtrans-76.3-19.8178.6-169.40000113.9H204H204-S208 PolarHBondContact O-N 3.03Å; H204-S208 VanDerWaalsContact O-N 3.1Å
209C40.6Very low45.8Very low94 Ų94122.6 Ų122.664%0.63567%0.667SS**Hα-helixtrans-86-26.2-179.9-149.80000112.9
210C40.2Very low45.9Very low96 Ų96120.8 Ų120.865%0.64967%0.674SS**Hα-helixtrans-74.8-24.1177-91.60000114.2
211T44.3Very low46Very low80 Ų80120.8 Ų120.849%0.49168%0.682SS.*Hα-helixtrans-85.2-8.7178.755.60000114.4
212V47.3Very low45.7Very low106 Ų106123 Ų12364%0.64269%0.685SS**Hα-helixtrans-94.5-25.5176.6-177.90000111.5
213S46.1Very low46Very low91 Ų91121.8 Ų121.864%0.63669%0.691SS**Hα-helixtrans-86.5-11.2-179.1-1500000115.2
214L43.5Very low46Very low153 Ų153123.7 Ų123.780%0.80170%0.704SS**SBendtrans-99.6-3.9176.6-124.378000114.7
215K45.7Very low46.1Very low171 Ų171123.7 Ų123.774%0.74371%0.709SS**SBendtrans-94.1-4.7174.7-69.7-179.3179.2178.60113.7
216S50Low46.2Very low94 Ų94127.2 Ų127.266%0.65772%0.719SS**SBendtrans-102.55.8-176.7-135.60000114.8
217L49.7Very low46Very low162 Ų162126.5 Ų126.585%0.84873%0.73SS**SBendtrans-119.57.2175.6-109.789.8000115
218W41.6Very low46.5Very low251 Ų251123.5 Ų123.595%0.95173%0.73SS**SBendtrans-137.350.2175.1-127.834.8000112.2
219S46.6Very low46.8Very low105 Ų105126.1 Ų126.173%0.73474%0.737SS**SBendtrans-138.266165.3590000107.8
220G51.9Low47.1Very low69 Ų69131.4 Ų131.471%0.71175%0.745SS**SBendtrans-166.212.2-169.100000116.7
221V50.9Low47.4Very low146 Ų146135.4 Ų135.489%0.88575%0.751SS**SBendtrans-158.6137.3158.4-141.70000108.6
222H45.8Very low47.7Very low155 Ų155136 Ų13672%0.71876%0.759SS**  trans90.764.2159.6-140.1-85.5000119.2
223L43.9Very low47.8Very low151 Ų151137.7 Ų137.779%0.79176%0.764SS**  trans-147.742.7146.5-133.779000113.6
224S47.8Very low47.7Very low117 Ų117142.3 Ų142.382%0.81877%0.773SS**SBendtrans-108.578.4159.6-62.20000107.2
225L49.9Very low47.9Very low152 Ų152141.2 Ų141.280%0.79677%0.767SS**SBendtrans177.43.6161-99159.4000115.6
226L49.7Very low47.8Very low134 Ų134142.3 Ų142.370%0.70277%0.772SS**SBendtrans-11633.3175.4-66.9174.8000113.4
227G45.8Very low47.5Very low77 Ų77149.2 Ų149.279%0.79478%0.784SS**SBendtrans-103.75173.100000114.9
228S51.9Low47.5Very low107 Ų107147.3 Ų147.375%0.74878%0.779SS**SBendtrans-1239.6-170.6-145.80000115.6
229L50.2Low48Very low138 Ų138142.2 Ų142.272%0.72377%0.77SS**SBendtrans-128.5-1.9177.8-82.2165.1000115.3
230Y46.1Very low48Very low204 Ų204147 Ų14780%0.878%0.778SS**SBendtrans-96.7-5.9175.9-99.9-91.1000114.6
231F45.7Very low47.5Very low180 Ų180147.4 Ų147.479%0.78978%0.782SS**SBendtrans-91.7-8.3178.5-137.2-97.1000114.3
232S50.8Low47.3Very low94 Ų94149.2 Ų149.266%0.65778%0.781SS**SBendtrans-100-1.9177.8-640000114.9
233L49.6Very low47.1Very low140 Ų140149.3 Ų149.373%0.73379%0.787SS**SBendtrans-105.7-3.8177.6-97.1153000114.1
234F43.9Very low46.8Very low189 Ų189155.3 Ų155.383%0.82981%0.811SS**SBendtrans-99.8-6.4177.6-126.1-94.5000114.3
235L48.3Very low46.8Very low129 Ų129157.3 Ų157.368%0.67581%0.81SS**SBendtrans-102.18.5178.5-93.3163.1000114.6
236F44Very low46.6Very low195 Ų195157.5 Ų157.586%0.85581%0.811SS**SBendtrans-119.614.1-179.8-110.7-81.3000114.9
237R44.1Very low46.4Very low238 Ų238158.8 Ų158.890%0.89882%0.817SS**  trans-123.723.4177.2-154.3157.1-179.8118.1-1.4114.6
238T49.8Very low46.5Very low122 Ų122163.6 Ų163.675%0.74882%0.819SS**SBendtrans-106.559.616357.20000109.8
239D50.9Low46.1Very low145 Ų145167.2 Ų167.278%0.77582%0.823SS**SBendtrans-165.596.5157.6-157.5-97.6000109.3
240K47.3Very low45.9Very low206 Ų206169.1 Ų169.190%0.89683%0.83SS**  trans159.6119.2145.7-93.4-176.7176.4179.60110.6
241G41.6Very low45.8Very low77 Ų77166.6 Ų166.679%0.79483%0.832SS**  trans125.748153.400000116.8
242Q45.5Very low45.9Very low183 Ų183165.6 Ų165.686%0.85584%0.835SS**  trans-64.4129.2133.9-79.3-179.9-2300106.8
243N41.8Very low45.4Very low158 Ų158171.6 Ų171.685%0.84585%0.85SS**  trans15986.9149.3-76-18.6000108.3
244E38.5Very low45.1Very low277 Ų277174.5 Ų174.5100%1.29486%0.861SS**  trans-170.80135.2-101.5178.7170.800109.2

Retrieved 244 of 244 residues in 640.8 ms (Link to these results)