A0A060XXW5_ONCMY Loading...

Forkhead box F1

AlphaFold DB , UniProt , Accession A0A060XXW5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110526478, Length 378 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
1M43Very low46.3Very low232 Ų232149 Ų149100%1.14384%0.841SS**  0164.10-74.6173.9168.900108.3
2T46.6Very low46.3Very low148 Ų148147.3 Ų147.391%0.90884%0.837SS**  trans51.6110.5174.544.20000116.6
3A43.4Very low46.3Very low105 Ų105145.8 Ų145.887%0.86884%0.837SS**  trans-96.7152.617100000111.4
4E49.5Very low45.8Very low175 Ų175142.5 Ų142.582%0.81884%0.835SS**  trans-108.4123.1-179.1175.8-170.3107.400110.2
5V48.1Very low45.4Very low135 Ų135146.7 Ų146.782%0.81884%0.844SS**  trans-152.2104.4164.2-1760000106.1
6Q43.2Very low45.1Very low164 Ų164144.3 Ų144.377%0.76684%0.838SS**  84127.172.1-154.169.31.300114.9
7Q41.5Very low44.9Very low172 Ų172142.3 Ų142.380%0.80483%0.834SS**  trans-83-170.9176.1-114.5-176.51300111.5
8P55.8Low45.5Very low108 Ų108140.4 Ų140.470%0.70183%0.827SS**  cis-129.4-115.2-3.523.24.9000116.3
9P57.3Low45Very low120 Ų120141.9 Ų141.978%0.77983%0.828SS**  -133.3166.7-110.242.6-25.6000119.5
10A41Very low44.7Very low95 Ų95140.2 Ų140.279%0.78582%0.823SS**  trans-161.8119153.600000109.5
11Q40.4Very low44.5Very low185 Ų185137.9 Ų137.986%0.86482%0.82SS**  76.5103.479-71.1-166.625.500117.1
12T46.1Very low44.8Very low128 Ų128133 Ų13379%0.78581%0.806SS**  trans26.3137.8147.150.30000121.9
13P46.1Very low44.3Very low129 Ų129135.2 Ų135.284%0.83881%0.806SS**  -145.2143.6102.438-25000116.2
14A38.9Very low44.1Very low99 Ų99139 Ų13982%0.81880%0.803SS**  trans177129144.300000111.9
15Q39.8Very low44.1Very low205 Ų205136.6 Ų136.696%0.95880%0.803SS**  trans-143.8158.2157.8-79.2-166.9-15.400108.8
16S41.3Very low43.8Very low108 Ų108139.2 Ų139.276%0.75581%0.806SS**  trans-142.3155.5-16652.30000113.5
17S41.8Very low43.3Very low111 Ų111135.1 Ų135.178%0.77681%0.807SS**  trans71.4161.4161.4-63.50000117.6
18P55.6Low43Very low109 Ų109136 Ų13671%0.70881%0.811SS**  cis-139.6-177.3-29.732.9-12.9000115.3
19M36.2Very low42Very low169 Ų169137.1 Ų137.183%0.83382%0.816SS**  trans94.6147.1133.8-109.4165.765.300123.7
20S37.7Very low41Very low106 Ų106137.4 Ų137.474%0.74182%0.816SS**  trans82.6131.4151-61.10000121.4
21A41.1Very low41Very low92 Ų92139.3 Ų139.376%0.7682%0.818SS**  trans-118.9164.2162.200000109.2
22P50.2Low41.2Very low131 Ų131139.5 Ų139.585%0.85182%0.821SS**  trans-129.7-174.515836.3-21.4000113.8
23E35.3Very low40.9Very low194 Ų194141.9 Ų141.991%0.90782%0.823SS**  trans-101.4-177.2-153.7-61.3174.180.700116.6
24K40.1Very low40.3Very low185 Ų185141.3 Ų141.380%0.80482%0.817SS**  trans-80.3159.3168.5-57.1174.1180175.20111.8
25P49Very low40.4Very low124 Ų124140.9 Ų140.981%0.80581%0.813SS**  trans-114.3157.4144.335.5-28.2000112.9
26H40.7Very low40.3Very low190 Ų190136.8 Ų136.888%0.8881%0.808SS**  trans-102.7153.2162.7-87.691.9000109.7
27G34.1Very low40.1Very low77 Ų77136.4 Ų136.479%0.79481%0.805SS**  trans-161.1132.217000000111.5
28Q35.6Very low40.1Very low192 Ų192137.6 Ų137.690%0.89781%0.808SS**  trans-87.5160.3177.1-63.6172.1-20.900111.2
29T33.1Very low39.5Very low130 Ų130137.9 Ų137.980%0.79881%0.808SS**  trans-163.7127.9144.5-79.90000111.2
30T37.8Very low39.8Very low126 Ų126139.8 Ų139.877%0.77381%0.811SS**  trans54.5124.4157.7-54.30000121.3
31V40.4Very low39.9Very low136 Ų136140.6 Ų140.682%0.82481%0.812SS**  trans-95.2151.8161.3-71.40000111
32M44.2Very low40.1Very low189 Ų189144.9 Ų144.993%0.93181%0.813SS**  trans-152.6140.1154-111.2174.2-170.800111.9
33E39.1Very low40Very low178 Ų178148.1 Ų148.183%0.83281%0.814SS**  trans-71.4172169.8-90.1-16467.500112.4
34T34.4Very low40.5Very low117 Ų117143.2 Ų143.272%0.71880%0.797SS**  cis-158.2149.4-8.8-116.10000107.9
35A40.3Very low40.8Very low89 Ų89141.7 Ų141.774%0.73680%0.798SS**  trans174.191.4149.400000112.4S37A35-S37 PolarHBondContact O-N 3.33Å
36S39.2Very low40.8Very low120 Ų120139.5 Ų139.584%0.83979%0.79SS**  trans-74.2113169.855.10000111.5
37S35.8Very low41.3Very low100 Ų100132.4 Ų132.470%0.69977%0.769SS**  trans-119.595.716753.50000110.8A35 T39A35-S37 PolarHBondContact O-N 3.33Å; S37-T39 VanDerWaalsContact C-N 3.27Å; S37-T39 PolarHBondContact O-N 3.5Å
38T43.3Very low42.5Very low136 Ų136136.2 Ų136.283%0.83477%0.769SS**  trans-74.873-177.151.30000112.2K40T38-K40 PolarHBondContact O-N 3.2Å
39T41.4Very low43.9Very low115 Ų115137 Ų13771%0.70676%0.764SS**  trans-71.2125.9161560000108.6S37 T41S37-T39 VanDerWaalsContact C-N 3.27Å; S37-T39 PolarHBondContact O-N 3.5Å; T39-T41 VanDerWaalsContact C-N 3.34Å; T39-T41 PolarHBondContact O-N 3Å
40K43.4Very low45.5Very low208 Ų208141.8 Ų141.890%0.90477%0.767SS**  trans-7289.4-179.1-71.7-179.8179.7175.70109.3T38 K42T38-K40 PolarHBondContact O-N 3.2Å; K40-K42 PolarHBondContact O-N 3.08Å
41T40.3Very low47.5Very low123 Ų123138.8 Ų138.876%0.75575%0.75SS**  trans-62.786.6174.3-45.80000109.6T39 K43T39-T41 VanDerWaalsContact C-N 3.34Å; T39-T41 PolarHBondContact O-N 3Å; T41-K43 VanDerWaalsContact C-N 3.34Å; T41-K43 PolarHBondContact O-N 3.48Å
42K44.7Very low49.6Very low182 Ų182140.9 Ų140.979%0.79175%0.751SS**  trans-58.4100.6172.1-174.7174.8-175.7173.70106.4K40 T44K40-K42 PolarHBondContact O-N 3.08Å; K42-T44 HydrophobicContact CD-CG2 4.46Å; K42-T44 HydrophobicContact CG-CG2 4.14Å; K42-T44 PolarHBondContact O-N 3.31Å
43K47.8Very low51.7Low200 Ų200137.8 Ų137.887%0.8773%0.732SS**  trans-69.665.4-176.9-168.5176-179177.30109.7T41 N45T41-K43 VanDerWaalsContact C-N 3.34Å; T41-K43 PolarHBondContact O-N 3.48Å; K43-N45 PolarHBondContact O-N 3.43Å
44T46.6Very low54.1Low90 Ų90130 Ų13055%0.55270%0.697SS**  trans-57.5125.8172.763.10000106.6K42 A46K42-T44 HydrophobicContact CD-CG2 4.46Å; K42-T44 HydrophobicContact CG-CG2 4.14Å; K42-T44 PolarHBondContact O-N 3.31Å; T44-A46 VanDerWaalsContact C-N 3.26Å; T44-A46 PolarHBondContact O-N 3.25Å
45N46.7Very low56.7Low154 Ų154129.3 Ų129.382%0.82470%0.695SS**  trans-68.989.9-177.8-173.7-4.3000108.4K43 G47K43-N45 PolarHBondContact O-N 3.43Å; N45-G47 PolarHBondContact O-N 3.03Å; N45-G47 PolarHBondContact OD1-N 3.17Å
46A47.8Very low59.2Low77 Ų77128.7 Ų128.764%0.63667%0.674SS**  trans-75.832.3176.800000111.9T44 I48T44-A46 VanDerWaalsContact C-N 3.26Å; T44-A46 PolarHBondContact O-N 3.25Å; A46-I48 PolarHBondContact O-N 2.71Å
47G50.4Low61.9Low42 Ų42124.7 Ų124.743%0.43365%0.646SS.*  trans-56.6106.9172.300000110N45 R49N45-G47 PolarHBondContact O-N 3.03Å; N45-G47 PolarHBondContact OD1-N 3.17Å; G47-R49 PolarHBondContact O-N 3.05Å; G47-R49 VanDerWaalsContact O-N 3.09Å
48I60.7Low64.8Low156 Ų156122.1 Ų122.180%0.862%0.621SS**  trans23.373.2171.1-50.283.6000112.3A46 R50A46-I48 PolarHBondContact O-N 2.71Å; I48-R50 PolarHBondContact O-N 2.92Å
49R63.6Low67.3Low209 Ų209117.4 Ų117.479%0.78959%0.59SS**  trans-55.4114.4172.4-74.1-168-179.3-175.23.4107.5G47G47-R49 PolarHBondContact O-N 3.05Å; G47-R49 VanDerWaalsContact O-N 3.09Å
50R68.1Low69.8Low231 Ų231112 Ų11287%0.87256%0.557SS**PPolyproline II helixtrans-53.2127.1-178.8-65.3-172.8-176.4108.8-1.3107.8I48 E52I48-R50 PolarHBondContact O-N 2.92Å; R50-E52 PolarHBondContact O-N 3.21Å
51P79.1Confident72.4Confident63 Ų63102.3 Ų102.341%0.40952%0.515SS..PPolyproline II helixtrans-54.1131.5-176.719.8-32.5000110P88 F89P51-P88 HydrophobicContact CB-CB 3.86Å; P51-P88 HydrophobicContact CG-CB 4.38Å; P51-F89 WeakPolarHBondContact O-CD2 3.37Å
52E84.4Confident75.1Confident179 Ų17996.4 Ų96.484%0.83648%0.479SS*.PPolyproline II helixtrans-67.4145.1-172.1-165.7173.9162.300111.4R50 P54R50-E52 PolarHBondContact O-N 3.21Å; E52-P54 WeakPolarHBondContact O-CD 3.37Å
53K87.6Confident77.6Confident124 Ų12487.8 Ų87.854%0.53944%0.442SS..PPolyproline II helixtrans-68123.7178.7-177.8177.8177.6179.80109.4F89K53-F89 HydrophobicContact CB-CD2 4.12Å; K53-F89 HydrophobicContact CB-CE1 4.49Å; K53-F89 HydrophobicContact CB-CE2 3.87Å; K53-F89 HydrophobicContact CB-CZ 4.07Å; K53-F89 HydrophobicContact CD-CZ 4.2Å; K53-F89 HydrophobicContact CG-CD1 4.44Å; K53-F89 HydrophobicContact CG-CE1 4.02Å; K53-F89 HydrophobicContact CG-CE2 4.23Å; K53-F89 HydrophobicContact CG-CZ 3.91Å
54P90.1Very high79.9Confident15 Ų1579.8 Ų79.810%0.09741%0.408CS..PPolyproline II helixtrans-56.7143.7-178.3-26.334.4000112.8E52 Y56 F87 F90E52-P54 WeakPolarHBondContact O-CD 3.37Å; P54-Y56 HydrophobicContact CB-CD2 3.72Å; P54-Y56 HydrophobicContact CB-CE2 4.33Å; P54-Y56 PolarHBondContact O-N 2.81Å; P54-F87 HydrophobicContact CB-CD1 3.93Å; P54-F87 HydrophobicContact CB-CE1 4.1Å; P54-F87 HydrophobicContact CB-CG 4.46Å; P54-F87 HydrophobicContact CG-CB 3.82Å; P54-F87 HydrophobicContact CG-CD1 3.53Å; P54-F87 HydrophobicContact CG-CE1 4.19Å; P54-F87 HydrophobicContact CG-CG 3.71Å; P54-F90 HydrophobicContact CG-CE2 4.35Å
55P90.3Very high82.3Confident103 Ų10375.5 Ų75.567%0.66938%0.382SS*.SBendtrans-75.531.7-173.932.4-37.9000114.4
56Y92.8Very high84.7Confident76 Ų7668.2 Ų68.230%0.29834%0.342SS..BIsolated β-bridgetrans-116.9154.4-173-57.2-66.5000111.3P54 L61 M64 F87 F142P54-Y56 HydrophobicContact CB-CD2 3.72Å; P54-Y56 HydrophobicContact CB-CE2 4.33Å; P54-Y56 PolarHBondContact O-N 2.81Å; Y56-L61 HydrophobicContact CD2-CD2 4.18Å; Y56-L61 HydrophobicContact CG-CD2 4.47Å; Y56-M64 HydrophobicContact CD1-CE 4.06Å; Y56-M64 HydrophobicContact CD2-CE 3.86Å; Y56-M64 HydrophobicContact CE1-CE 4.37Å; Y56-M64 HydrophobicContact CE2-CE 4.19Å; Y56-M64 HydrophobicContact CG-CE 3.8Å; Y56-F87 HydrophobicContact CD2-CE1 4.26Å; Y56-F87 HydrophobicContact CD2-CZ 4.26Å; Y56-F87 HydrophobicContact CE2-CE1 4.02Å; Y56-F87 HydrophobicContact CE2-CZ 4.24Å; Y56-F142 HydrophobicContact CD1-CB 3.84Å; Y56-F142 HydrophobicContact CE1-CB 3.85Å
57S94.6Very high87Confident35 Ų3566.6 Ų66.625%0.24532%0.322CS..  trans-76.1159.4167.262.10000110.6I59 A60 L61S57-I59 PolarHBondContact O-N 2.77Å; S57-A60 PolarHBondContact O-N 3.21Å; S57-A60 VanDerWaalsContact O-N 3.15Å; S57-A60 WeakPolarHBondContact OG-CB 3.37Å; S57-A60 PolarHBondContact OG-N 3.05Å; S57-A60 VanDerWaalsContact OG-N 3.07Å; S57-L61 WeakPolarHBondContact O-CB 3.26Å; S57-L61 VanDerWaalsContact O-CG 3.3Å; S57-L61 WeakPolarHBondContact O-CG 3.36Å; S57-L61 PolarHBondContact O-N 3.12Å
58Y96.7Very high89.1Confident47 Ų4767.9 Ų67.918%0.18432%0.324CS..Hα-helixtrans-58.3-33.1171.1-72.8-64.3000112.2L61 I62 F90 W97 S100 V101Y58-L61 HydrophobicContact CD1-CD1 4.1Å; Y58-L61 PolarHBondContact O-N 3.22Å; Y58-I62 WeakPolarHBondContact O-CB 3.5Å; Y58-I62 WeakPolarHBondContact O-CD1 3.48Å; Y58-I62 WeakPolarHBondContact O-CG1 3.3Å; Y58-I62 PolarHBondContact O-N 3.29Å; Y58-F90 HydrophobicContact CE1-CE1 4.35Å; Y58-W97 HydrophobicContact CE1-CB 4.43Å; Y58-S100 PolarHBondContact OH-OG 3.23Å; Y58-V101 HydrophobicContact CD1-CG2 4.18Å
59I95.9Very high90.8Very high36 Ų3660.9 Ų60.919%0.18529%0.289CS..Hα-helixtrans-58.1-56.6171.6-53.6172000110.2S57 L61 I62 V63 N108 F111 F137S57-I59 PolarHBondContact O-N 2.77Å; I59-L61 VanDerWaalsContact C-N 3.28Å; I59-L61 PolarHBondContact O-N 3.5Å; I59-I62 PolarHBondContact O-N 3.42Å; I59-I62 VanDerWaalsContact O-N 3.15Å; I59-V63 HydrophobicContact CG2-CG2 4.42Å; I59-V63 WeakPolarHBondContact O-CG2 3.16Å; I59-V63 PolarHBondContact O-N 2.77Å; I59-N108 VanDerWaalsContact CD1-OD1 3.26Å; I59-N108 WeakPolarHBondContact CD1-OD1 3.2Å; I59-F111 HydrophobicContact CB-CE2 4.38Å; I59-F111 HydrophobicContact CB-CZ 4.36Å; I59-F111 HydrophobicContact CG1-CE2 4.47Å; I59-F111 HydrophobicContact CG2-CE2 3.98Å; I59-F111 HydrophobicContact CG2-CZ 3.76Å; I59-F137 HydrophobicContact CG2-CE1 4.05Å; I59-F137 HydrophobicContact CG2-CZ 3.78Å
60A95.3Very high92.4Very high1 Ų157.2 Ų57.21%0.00829%0.292CS..Hα-helixtrans-61.1-35.7179.700000112.8S57 V63 M64 F142S57-A60 PolarHBondContact O-N 3.21Å; S57-A60 VanDerWaalsContact O-N 3.15Å; S57-A60 WeakPolarHBondContact OG-CB 3.37Å; S57-A60 PolarHBondContact OG-N 3.05Å; S57-A60 VanDerWaalsContact OG-N 3.07Å; A60-V63 PolarHBondContact O-N 3.44Å; A60-M64 WeakPolarHBondContact O-CB 3.4Å; A60-M64 WeakPolarHBondContact O-CE 3.13Å; A60-M64 WeakPolarHBondContact O-CG 3.27Å; A60-M64 PolarHBondContact O-N 3.13Å; A60-F142 HydrophobicContact CB-CB 4.18Å; A60-F142 HydrophobicContact CB-CD1 4.3Å; A60-F142 WeakPolarHBondContact CB-O 3.49Å
61L96.6Very high93.7Very high5 Ų550.1 Ų50.13%0.02628%0.275CS..Hα-helixtrans-64.3-41.2175-72.9169.2000112.8Y56 S57 Y58 I59 M64 A65 L83 F87 F90Y56-L61 HydrophobicContact CD2-CD2 4.18Å; Y56-L61 HydrophobicContact CG-CD2 4.47Å; S57-L61 WeakPolarHBondContact O-CB 3.26Å; S57-L61 VanDerWaalsContact O-CG 3.3Å; S57-L61 WeakPolarHBondContact O-CG 3.36Å; S57-L61 PolarHBondContact O-N 3.12Å; Y58-L61 HydrophobicContact CD1-CD1 4.1Å; Y58-L61 PolarHBondContact O-N 3.22Å; I59-L61 VanDerWaalsContact C-N 3.28Å; I59-L61 PolarHBondContact O-N 3.5Å; L61-M64 HydrophobicContact CD2-CE 3.99Å; L61-A65 PolarHBondContact O-N 2.84Å; L61-L83 HydrophobicContact CB-CD2 3.82Å; L61-L83 HydrophobicContact CD2-CD2 4.02Å; L61-L83 HydrophobicContact CG-CD2 4.42Å; L61-F87 HydrophobicContact CD2-CD2 4.02Å; L61-F87 HydrophobicContact CD2-CE2 3.48Å; L61-F87 VanDerWaalsContact CD2-CE2 3.48Å; L61-F87 HydrophobicContact CD2-CZ 3.83Å; L61-F90 HydrophobicContact CD1-CE2 4.22Å; L61-F90 HydrophobicContact CD1-CZ 3.75Å; L61-F90 HydrophobicContact CD2-CE2 4.37Å
62I97.8Very high94.5Very high0 Ų051.8 Ų51.80%028%0.276CS..Hα-helixtrans-70.4-43.3175.6-67159.7000110.5Y58 I59 M64 A65 I66 I79 V101 N104 L105 F111Y58-I62 WeakPolarHBondContact O-CB 3.5Å; Y58-I62 WeakPolarHBondContact O-CD1 3.48Å; Y58-I62 WeakPolarHBondContact O-CG1 3.3Å; Y58-I62 PolarHBondContact O-N 3.29Å; I59-I62 PolarHBondContact O-N 3.42Å; I59-I62 VanDerWaalsContact O-N 3.15Å; I62-M64 PolarHBondContact O-N 2.57Å; I62-A65 WeakPolarHBondContact O-CB 3.41Å; I62-A65 PolarHBondContact O-N 3.01Å; I62-A65 VanDerWaalsContact O-N 3.15Å; I62-I66 HydrophobicContact CG2-CD1 3.75Å; I62-I66 HydrophobicContact CG2-CG1 4.36Å; I62-I66 WeakPolarHBondContact O-CG1 3.13Å; I62-I66 PolarHBondContact O-N 2.84Å; I62-I79 HydrophobicContact CG1-CG2 4.27Å; I62-I79 HydrophobicContact CG2-CD1 4.33Å; I62-V101 HydrophobicContact CD1-CG1 4.26Å; I62-V101 HydrophobicContact CG1-CG1 4.3Å; I62-N104 HydrophobicContact CD1-CB 3.94Å; I62-L105 HydrophobicContact CD1-CD2 4.15Å; I62-L105 HydrophobicContact CD1-CG 4.03Å; I62-L105 HydrophobicContact CG2-CD2 3.71Å; I62-F111 HydrophobicContact CB-CE1 3.99Å; I62-F111 HydrophobicContact CB-CE2 4.27Å; I62-F111 HydrophobicContact CB-CZ 3.64Å; I62-F111 HydrophobicContact CD1-CE2 4.04Å; I62-F111 HydrophobicContact CD1-CZ 4.28Å; I62-F111 HydrophobicContact CG2-CD1 3.88Å; I62-F111 HydrophobicContact CG2-CE1 3.38Å; I62-F111 HydrophobicContact CG2-CE2 4.14Å; I62-F111 HydrophobicContact CG2-CG 4.45Å; I62-F111 HydrophobicContact CG2-CZ 3.52Å
63V96.4Very high95.1Very high0 Ų048.4 Ų48.40%026%0.255CS..Hα-helixtrans-57.4-50176.6168.20000111I59 A60 A65 I66 Q67 F111 I129 F137 F142I59-V63 HydrophobicContact CG2-CG2 4.42Å; I59-V63 WeakPolarHBondContact O-CG2 3.16Å; I59-V63 PolarHBondContact O-N 2.77Å; A60-V63 PolarHBondContact O-N 3.44Å; V63-A65 PolarHBondContact O-N 2.9Å; V63-I66 PolarHBondContact O-N 3.04Å; V63-I66 VanDerWaalsContact O-N 3.16Å; V63-Q67 HydrophobicContact CG1-CG 4.05Å; V63-Q67 WeakPolarHBondContact O-CB 3.34Å; V63-Q67 WeakPolarHBondContact O-CG 3.35Å; V63-Q67 PolarHBondContact O-N 3.39Å; V63-F111 HydrophobicContact CG2-CE1 3.77Å; V63-F111 HydrophobicContact CG2-CZ 3.95Å; V63-I129 HydrophobicContact CB-CD1 4.35Å; V63-I129 HydrophobicContact CG1-CD1 3.87Å; V63-I129 HydrophobicContact CG2-CD1 4.31Å; V63-I129 HydrophobicContact CG2-CG1 4.29Å; V63-F137 HydrophobicContact CB-CD1 4.4Å; V63-F137 HydrophobicContact CB-CG 4.41Å; V63-F137 HydrophobicContact CG1-CB 3.68Å; V63-F137 HydrophobicContact CG1-CD1 4.06Å; V63-F137 HydrophobicContact CG1-CD2 4.15Å; V63-F137 HydrophobicContact CG1-CG 3.7Å; V63-F137 HydrophobicContact CG2-CD1 4.05Å; V63-F137 HydrophobicContact CG2-CD2 3.98Å; V63-F137 HydrophobicContact CG2-CE1 3.99Å; V63-F137 HydrophobicContact CG2-CE2 3.92Å; V63-F137 HydrophobicContact CG2-CG 4.05Å; V63-F137 HydrophobicContact CG2-CZ 3.92Å; V63-F142 HydrophobicContact CG1-CE1 3.98Å
64M96.1Very high95.5Very high33 Ų3343.3 Ų43.316%0.16323%0.234CC..Hα-helixtrans-58.3-36.1177-75.5-175-72.900112.4Y56 A60 L61 I62 S68 F82 F87 F142Y56-M64 HydrophobicContact CD1-CE 4.06Å; Y56-M64 HydrophobicContact CD2-CE 3.86Å; Y56-M64 HydrophobicContact CE1-CE 4.37Å; Y56-M64 HydrophobicContact CE2-CE 4.19Å; Y56-M64 HydrophobicContact CG-CE 3.8Å; A60-M64 WeakPolarHBondContact O-CB 3.4Å; A60-M64 WeakPolarHBondContact O-CE 3.13Å; A60-M64 WeakPolarHBondContact O-CG 3.27Å; A60-M64 PolarHBondContact O-N 3.13Å; L61-M64 HydrophobicContact CD2-CE 3.99Å; I62-M64 PolarHBondContact O-N 2.57Å; M64-S68 WeakPolarHBondContact O-CB 3.23Å; M64-S68 PolarHBondContact O-N 3.49Å; M64-S68 PolarHBondContact O-OG 2.84Å; M64-F82 HydrophobicContact CB-CE1 4.27Å; M64-F82 HydrophobicContact CB-CZ 4.38Å; M64-F87 HydrophobicContact CE-CZ 4.09Å; M64-F142 HydrophobicContact CG-CD1 3.81Å; M64-F142 HydrophobicContact CG-CE1 3.73Å; M64-F142 HydrophobicContact CG-CG 4.3Å; M64-F142 HydrophobicContact CG-CZ 4.14Å; M64-F142 HydrophobicContact SD-CD1 4.39Å; M64-F142 HydrophobicContact SD-CG 4.31Å
65A97.6Very high95.9Very high0 Ų043.4 Ų43.40%023%0.234CC..Hα-helixtrans-64.3-52.9174.300000111.1L61 I62 V63 S68 S69 L74 I79 F82L61-A65 PolarHBondContact O-N 2.84Å; I62-A65 WeakPolarHBondContact O-CB 3.41Å; I62-A65 PolarHBondContact O-N 3.01Å; I62-A65 VanDerWaalsContact O-N 3.15Å; V63-A65 PolarHBondContact O-N 2.9Å; A65-S68 PolarHBondContact O-N 3.36Å; A65-S68 PolarHBondContact O-OG 3.26Å; A65-S69 PolarHBondContact O-N 3.43Å; A65-L74 HydrophobicContact CB-CD1 3.94Å; A65-L74 WeakPolarHBondContact O-CD1 3.46Å; A65-I79 HydrophobicContact CB-CG1 4.48Å; A65-F82 HydrophobicContact CB-CB 4.04Å; A65-F82 HydrophobicContact CB-CD1 3.33Å; A65-F82 HydrophobicContact CB-CD2 4.44Å; A65-F82 HydrophobicContact CB-CE1 3.83Å; A65-F82 HydrophobicContact CB-CG 3.68Å
66I97.1Very high96.2Very high0 Ų040.8 Ų40.80%021%0.214CC..Hα-helixtrans-62.8-46-177.8-66173.5000111.1I62 V63 S68 S69 K72 F111 W127 I129I62-I66 HydrophobicContact CG2-CD1 3.75Å; I62-I66 HydrophobicContact CG2-CG1 4.36Å; I62-I66 WeakPolarHBondContact O-CG1 3.13Å; I62-I66 PolarHBondContact O-N 2.84Å; V63-I66 PolarHBondContact O-N 3.04Å; V63-I66 VanDerWaalsContact O-N 3.16Å; I66-S68 VanDerWaalsContact C-N 3.26Å; I66-S68 PolarHBondContact O-N 3.48Å; I66-S69 WeakPolarHBondContact O-CB 3.42Å; I66-S69 PolarHBondContact O-N 3.45Å; I66-S69 VanDerWaalsContact O-N 3.08Å; I66-S69 PolarHBondContact O-OG 2.73Å; I66-K72 WeakPolarHBondContact CG2-O 3.42Å; I66-F111 HydrophobicContact CD1-CD1 4.08Å; I66-F111 HydrophobicContact CD1-CE1 4.27Å; I66-W127 HydrophobicContact CD1-CB 4.48Å; I66-I129 HydrophobicContact CB-CD1 4.18Å; I66-I129 HydrophobicContact CB-CG1 4.29Å; I66-I129 HydrophobicContact CD1-CG1 4.31Å; I66-I129 HydrophobicContact CG2-CD1 3.96Å; I66-I129 HydrophobicContact CG2-CG1 3.99Å
67Q95.3Very high96.4Very high43 Ų4340.2 Ų40.220%0.20122%0.221CC..Hα-helixtrans-61.9-30.5178.6-75.7179.5-30.800113.3V63 S69 K72 I129V63-Q67 HydrophobicContact CG1-CG 4.05Å; V63-Q67 WeakPolarHBondContact O-CB 3.34Å; V63-Q67 WeakPolarHBondContact O-CG 3.35Å; V63-Q67 PolarHBondContact O-N 3.39Å; Q67-S69 VanDerWaalsContact C-N 3.3Å; Q67-K72 PolarHBondContact O-NZ 3.31Å; Q67-I129 HydrophobicContact CG-CD1 3.74Å
68S95.6Very high96.6Very high70 Ų7042.1 Ų42.149%0.4923%0.226SC..Hα-helixtrans-73.7-17.9176.477.40000114M64 A65 I66 F82M64-S68 WeakPolarHBondContact O-CB 3.23Å; M64-S68 PolarHBondContact O-N 3.49Å; M64-S68 PolarHBondContact O-OG 2.84Å; A65-S68 PolarHBondContact O-N 3.36Å; A65-S68 PolarHBondContact O-OG 3.26Å; I66-S68 VanDerWaalsContact C-N 3.26Å; I66-S68 PolarHBondContact O-N 3.48Å; S68-F82 WeakPolarHBondContact OG-CD2 3.46Å; S68-F82 WeakPolarHBondContact OG-CE2 3.42Å
69S96.2Very high96.6Very high8 Ų839.9 Ų39.96%0.05622%0.218CC..SBendtrans-79.1134.7175.574.20000110.6A65 I66 Q67 T71 K72 R73A65-S69 PolarHBondContact O-N 3.43Å; I66-S69 WeakPolarHBondContact O-CB 3.42Å; I66-S69 PolarHBondContact O-N 3.45Å; I66-S69 VanDerWaalsContact O-N 3.08Å; I66-S69 PolarHBondContact O-OG 2.73Å; Q67-S69 VanDerWaalsContact C-N 3.3Å; S69-T71 PolarHBondContact O-N 3.16Å; S69-K72 PolarHBondContact O-N 3.15Å; S69-K72 WeakPolarHBondContact OG-CA 3.5Å; S69-K72 PolarHBondContact OG-N 2.69Å; S69-R73 PolarHBondContact OG-N 3.5Å; S69-R73 PolarHBondContact OG-O 2.96Å
70P96.2Very high96.7Very high133 Ų13339.6 Ų39.686%0.86422%0.215SC*.THydrogen-bonded Turntrans-65-25.8178.226.6-34.4000111.9K72P70-K72 VanDerWaalsContact C-N 3.31Å
71T95.8Very high96.8Very high81 Ų8144.9 Ų44.950%0.49724%0.239SC..THydrogen-bonded Turntrans-84.11.517649.20000114.2S69 R73S69-T71 PolarHBondContact O-N 3.16Å; T71-R73 WeakPolarHBondContact O-CG 3.11Å; T71-R73 PolarHBondContact O-N 2.96Å; T71-R73 PolarHBondContact OG1-O 3.26Å
72K96.6Very high96.9Very high99 Ų9946.5 Ų46.543%0.4325%0.246SC..SBendtrans47.428.2-175.3-60.4-65.5-176.8178.20114.6I66 Q67 S69 P70 T128I66-K72 WeakPolarHBondContact CG2-O 3.42Å; Q67-K72 PolarHBondContact O-NZ 3.31Å; S69-K72 PolarHBondContact O-N 3.15Å; S69-K72 WeakPolarHBondContact OG-CA 3.5Å; S69-K72 PolarHBondContact OG-N 2.69Å; P70-K72 VanDerWaalsContact C-N 3.31Å; K72-T128 PolarHBondContact O-OG1 3.26Å
73R96.4Very high96.9Very high107 Ų10746.5 Ų46.540%0.40425%0.246SC..EExtended strand (participates in β ladder)trans-154.1140.5-179.372.3-166.1175.9-172.3-5.8110.1S69 T71 Y126 W127S69-R73 PolarHBondContact OG-N 3.5Å; S69-R73 PolarHBondContact OG-O 2.96Å; T71-R73 WeakPolarHBondContact O-CG 3.11Å; T71-R73 PolarHBondContact O-N 2.96Å; T71-R73 PolarHBondContact OG1-O 3.26Å; R73-Y126 HydrophobicContact CG-CD1 4.19Å; R73-Y126 HydrophobicContact CG-CG 4.35Å; R73-W127 CarbonylContact C-O 3.57Å; R73-W127 VanDerWaalsContact CA-O 3.23Å; R73-W127 WeakPolarHBondContact CA-O 3.37Å
74L97.3Very high96.9Very high17 Ų1749.3 Ų49.39%0.08926%0.259CS..EExtended strand (participates in β ladder)trans-137.8151.4179.8-71.4-176.6000111.3A65 E78 I79 W127A65-L74 HydrophobicContact CB-CD1 3.94Å; A65-L74 WeakPolarHBondContact O-CD1 3.46Å; L74-E78 HydrophobicContact CB-CB 4.21Å; L74-E78 HydrophobicContact CD1-CB 4.37Å; L74-E78 HydrophobicContact CD2-CB 3.84Å; L74-E78 HydrophobicContact CD2-CG 4.48Å; L74-E78 HydrophobicContact CG-CB 4.38Å; L74-I79 HydrophobicContact CB-CD1 4.4Å; L74-I79 HydrophobicContact CB-CG1 3.86Å; L74-I79 HydrophobicContact CD1-CG1 4.13Å; L74-W127 PolarHBondContact N-O 2.98Å; L74-W127 PolarHBondContact O-N 3.21Å
75T97.2Very high96.9Very high17 Ų1751.4 Ų51.410%0.10428%0.277CS..EExtended strand (participates in β ladder)trans-77.3162.7164.671.30000111.1S77 E78 I79 H125 Y126T75-S77 PolarHBondContact O-N 2.85Å; T75-S77 VanDerWaalsContact O-N 3.12Å; T75-S77 PolarHBondContact OG1-N 3.3Å; T75-E78 WeakPolarHBondContact CA-OE2 3.38Å; T75-E78 WeakPolarHBondContact CB-OE2 3.41Å; T75-E78 VanDerWaalsContact CG2-OE2 3.27Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.46Å; T75-E78 PolarHBondContact N-OE2 2.82Å; T75-E78 PolarHBondContact O-N 2.82Å; T75-E78 VanDerWaalsContact O-N 3.12Å; T75-E78 PolarHBondContact OG1-N 3.17Å; T75-E78 PolarHBondContact OG1-OE2 2.83Å; T75-I79 WeakPolarHBondContact O-CG1 3.3Å; T75-I79 PolarHBondContact O-N 3.15Å; T75-H125 WeakPolarHBondContact CA-O 3.3Å; T75-Y126 HydrophobicContact CG2-CD1 3.73Å; T75-Y126 HydrophobicContact CG2-CE1 3.73Å
76L97.4Very high96.8Very high48 Ų4860 Ų6025%0.25131%0.309SS..Hα-helixtrans-53.5-31173.3-178.363.5000113.4Y80 V101 R102 L105L76-Y80 HydrophobicContact CD1-CD1 4.38Å; L76-Y80 HydrophobicContact CD1-CE1 3.62Å; L76-Y80 HydrophobicContact CD1-CE2 4.38Å; L76-Y80 HydrophobicContact CD2-CE2 4.43Å; L76-Y80 HydrophobicContact CG-CE1 4.1Å; L76-Y80 HydrophobicContact CG-CE2 3.94Å; L76-Y80 WeakPolarHBondContact O-CD2 3.44Å; L76-Y80 VanDerWaalsContact O-CG 3.25Å; L76-Y80 PolarHBondContact O-N 3.02Å; L76-V101 HydrophobicContact CD1-CG1 4.1Å; L76-R102 HydrophobicContact CD1-CG 3.97Å; L76-R102 HydrophobicContact CD2-CG 3.84Å; L76-L105 HydrophobicContact CD1-CD1 3.7Å
77S97.1Very high96.7Very high65 Ų6561.3 Ų61.346%0.45532%0.315SS..Hα-helixtrans-71.5-43.4178.6-168.20000111.9T75 Y80 Q81T75-S77 PolarHBondContact O-N 2.85Å; T75-S77 VanDerWaalsContact O-N 3.12Å; T75-S77 PolarHBondContact OG1-N 3.3Å; S77-Y80 WeakPolarHBondContact O-CB 3.45Å; S77-Y80 PolarHBondContact O-N 2.87Å; S77-Q81 WeakPolarHBondContact O-CG 3.48Å; S77-Q81 PolarHBondContact O-N 3.49Å; S77-Q81 PolarHBondContact O-NE2 2.79Å; S77-Q81 PolarHBondContact OG-NE2 3.29Å
78E97.3Very high96.7Very high74 Ų7462.6 Ų62.635%0.34633%0.327SS..Hα-helixtrans-69.8-36.2179.5-67.5148.3130.900111.1L74 T75 Y80 Q81 F82L74-E78 HydrophobicContact CB-CB 4.21Å; L74-E78 HydrophobicContact CD1-CB 4.37Å; L74-E78 HydrophobicContact CD2-CB 3.84Å; L74-E78 HydrophobicContact CD2-CG 4.48Å; L74-E78 HydrophobicContact CG-CB 4.38Å; T75-E78 WeakPolarHBondContact CA-OE2 3.38Å; T75-E78 WeakPolarHBondContact CB-OE2 3.41Å; T75-E78 VanDerWaalsContact CG2-OE2 3.27Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.46Å; T75-E78 PolarHBondContact N-OE2 2.82Å; T75-E78 PolarHBondContact O-N 2.82Å; T75-E78 VanDerWaalsContact O-N 3.12Å; T75-E78 PolarHBondContact OG1-N 3.17Å; T75-E78 PolarHBondContact OG1-OE2 2.83Å; E78-Y80 VanDerWaalsContact C-N 3.34Å; E78-Y80 PolarHBondContact O-N 3.1Å; E78-Q81 PolarHBondContact O-N 3.04Å; E78-Q81 VanDerWaalsContact O-N 3.13Å; E78-F82 WeakPolarHBondContact O-CB 3.15Å; E78-F82 PolarHBondContact O-N 3.49Å
79I98.1Very high96.6Very high0 Ų062.1 Ų62.10%032%0.316CS..Hα-helixtrans-59-44.8171.4-64.6165.8000110.6I62 A65 L74 T75 Q81 L83 V101 L105 W127I62-I79 HydrophobicContact CG1-CG2 4.27Å; I62-I79 HydrophobicContact CG2-CD1 4.33Å; A65-I79 HydrophobicContact CB-CG1 4.48Å; L74-I79 HydrophobicContact CB-CD1 4.4Å; L74-I79 HydrophobicContact CB-CG1 3.86Å; L74-I79 HydrophobicContact CD1-CG1 4.13Å; T75-I79 WeakPolarHBondContact O-CG1 3.3Å; T75-I79 PolarHBondContact O-N 3.15Å; I79-Q81 VanDerWaalsContact C-N 3.32Å; I79-Q81 PolarHBondContact O-N 3.17Å; I79-L83 HydrophobicContact CG2-CD1 4.2Å; I79-L83 VanDerWaalsContact O-CG 3.3Å; I79-L83 WeakPolarHBondContact O-CG 3.37Å; I79-L83 PolarHBondContact O-N 3.15Å; I79-L83 VanDerWaalsContact O-N 3.12Å; I79-V101 HydrophobicContact CG2-CG1 3.97Å; I79-L105 HydrophobicContact CD1-CD1 4.24Å; I79-L105 HydrophobicContact CD1-CD2 4.28Å; I79-W127 HydrophobicContact CD1-CB 4.5Å
80Y97.8Very high96.5Very high31 Ų3161.9 Ų61.912%0.12231%0.314CS..Hα-helixtrans-61.8-40174.7-62.6-25.2000112.2L76 S77 E78 Q84 W97 K98 V101 R102L76-Y80 HydrophobicContact CD1-CD1 4.38Å; L76-Y80 HydrophobicContact CD1-CE1 3.62Å; L76-Y80 HydrophobicContact CD1-CE2 4.38Å; L76-Y80 HydrophobicContact CD2-CE2 4.43Å; L76-Y80 HydrophobicContact CG-CE1 4.1Å; L76-Y80 HydrophobicContact CG-CE2 3.94Å; L76-Y80 WeakPolarHBondContact O-CD2 3.44Å; L76-Y80 VanDerWaalsContact O-CG 3.25Å; L76-Y80 PolarHBondContact O-N 3.02Å; S77-Y80 WeakPolarHBondContact O-CB 3.45Å; S77-Y80 PolarHBondContact O-N 2.87Å; E78-Y80 VanDerWaalsContact C-N 3.34Å; E78-Y80 PolarHBondContact O-N 3.1Å; Y80-Q84 WeakPolarHBondContact O-CG 3.34Å; Y80-Q84 PolarHBondContact O-N 3.23Å; Y80-Q84 VanDerWaalsContact O-N 3.15Å; Y80-Q84 PolarHBondContact O-NE2 3.13Å; Y80-W97 HydrophobicContact CD1-CH2 4.23Å; Y80-W97 AromaticContact CD1-CZ3 3.76Å; Y80-W97 HydrophobicContact CD1-CZ3 3.76Å; Y80-W97 HydrophobicContact CE1-CZ3 4.49Å; Y80-W97 HydrophobicContact CG-CH2 4.37Å; Y80-W97 HydrophobicContact CG-CZ3 4.35Å; Y80-K98 HydrophobicContact CD1-CB 4.45Å; Y80-K98 HydrophobicContact CD1-CD 4.38Å; Y80-K98 HydrophobicContact CD1-CG 3.89Å; Y80-K98 HydrophobicContact CD2-CD 4.05Å; Y80-K98 HydrophobicContact CD2-CG 4.43Å; Y80-K98 HydrophobicContact CE1-CB 3.74Å; Y80-K98 HydrophobicContact CE1-CD 4.27Å; Y80-K98 HydrophobicContact CE1-CG 3.67Å; Y80-K98 HydrophobicContact CE2-CD 3.95Å; Y80-K98 HydrophobicContact CE2-CG 4.26Å; Y80-K98 HydrophobicContact CG-CD 4.26Å; Y80-K98 HydrophobicContact CG-CG 4.26Å; Y80-V101 HydrophobicContact CD1-CG1 4.35Å; Y80-V101 HydrophobicContact CE1-CB 4.21Å; Y80-V101 HydrophobicContact CE1-CG1 4Å; Y80-R102 PolarHBondContact OH-NH1 3.12Å; Y80-R102 VanDerWaalsContact OH-NH1 3.16Å
81Q97.9Very high96.4Very high111 Ų11162.8 Ų62.852%0.51930%0.3SS..Hα-helixtrans-68.1-45.3-179.7-71.6169.266.900111.8S77 E78 I79 L83 Q84 S85S77-Q81 WeakPolarHBondContact O-CG 3.48Å; S77-Q81 PolarHBondContact O-N 3.49Å; S77-Q81 PolarHBondContact O-NE2 2.79Å; S77-Q81 PolarHBondContact OG-NE2 3.29Å; E78-Q81 PolarHBondContact O-N 3.04Å; E78-Q81 VanDerWaalsContact O-N 3.13Å; I79-Q81 VanDerWaalsContact C-N 3.32Å; I79-Q81 PolarHBondContact O-N 3.17Å; Q81-L83 VanDerWaalsContact C-N 3.35Å; Q81-L83 PolarHBondContact O-N 3.12Å; Q81-Q84 PolarHBondContact O-N 3.06Å; Q81-S85 PolarHBondContact O-N 2.83Å; Q81-S85 PolarHBondContact O-OG 3.48Å
82F97.9Very high96.2Very high40 Ų4060.8 Ų60.818%0.17530%0.296CS..Hα-helixtrans-57.9-44.5175176.3-88.5000112.3M64 A65 S68 E78 Q84 S85 R86M64-F82 HydrophobicContact CB-CE1 4.27Å; M64-F82 HydrophobicContact CB-CZ 4.38Å; A65-F82 HydrophobicContact CB-CB 4.04Å; A65-F82 HydrophobicContact CB-CD1 3.33Å; A65-F82 HydrophobicContact CB-CD2 4.44Å; A65-F82 HydrophobicContact CB-CE1 3.83Å; A65-F82 HydrophobicContact CB-CG 3.68Å; S68-F82 WeakPolarHBondContact OG-CD2 3.46Å; S68-F82 WeakPolarHBondContact OG-CE2 3.42Å; E78-F82 WeakPolarHBondContact O-CB 3.15Å; E78-F82 PolarHBondContact O-N 3.49Å; F82-Q84 PolarHBondContact O-N 2.96Å; F82-S85 PolarHBondContact O-N 2.95Å; F82-S85 PolarHBondContact O-OG 2.88Å; F82-S85 VanDerWaalsContact O-OG 3.04Å; F82-R86 HydrophobicContact CE1-CB 4.34Å; F82-R86 HydrophobicContact CZ-CB 4.41Å; F82-R86 HydrophobicContact CZ-CG 4.4Å; F82-R86 VanDerWaalsContact O-CB 3.3Å; F82-R86 WeakPolarHBondContact O-CB 3.45Å; F82-R86 PolarHBondContact O-N 3.04Å
83L97.6Very high95.9Very high0 Ų061.8 Ų61.80%032%0.315CS..Hα-helixtrans-65.3-40.5179.2-68.2178.2000111.8L61 I79 Q81 F87 F90 W97 V101L61-L83 HydrophobicContact CB-CD2 3.82Å; L61-L83 HydrophobicContact CD2-CD2 4.02Å; L61-L83 HydrophobicContact CG-CD2 4.42Å; I79-L83 HydrophobicContact CG2-CD1 4.2Å; I79-L83 VanDerWaalsContact O-CG 3.3Å; I79-L83 WeakPolarHBondContact O-CG 3.37Å; I79-L83 PolarHBondContact O-N 3.15Å; I79-L83 VanDerWaalsContact O-N 3.12Å; Q81-L83 VanDerWaalsContact C-N 3.35Å; Q81-L83 PolarHBondContact O-N 3.12Å; L83-F87 HydrophobicContact CD2-CD2 4.21Å; L83-F87 HydrophobicContact CD2-CE2 4.2Å; L83-F87 PolarHBondContact O-N 2.77Å; L83-F90 HydrophobicContact CB-CB 4.46Å; L83-F90 HydrophobicContact CB-CD2 3.72Å; L83-F90 HydrophobicContact CB-CE2 4.21Å; L83-F90 HydrophobicContact CB-CG 4.14Å; L83-F90 HydrophobicContact CD2-CE2 4.23Å; L83-F90 WeakPolarHBondContact O-CD2 3.41Å; L83-W97 HydrophobicContact CB-CZ3 4.47Å; L83-W97 HydrophobicContact CD1-CZ3 4.25Å; L83-V101 HydrophobicContact CD1-CG2 3.96Å
84Q96.7Very high95.8Very high59 Ų5964.7 Ų64.728%0.27633%0.328SS..Hα-helixtrans-67.1-40.3174.7-74.8167106.300112.4Y80 Q81 F82 F90 R91 W97Y80-Q84 WeakPolarHBondContact O-CG 3.34Å; Y80-Q84 PolarHBondContact O-N 3.23Å; Y80-Q84 VanDerWaalsContact O-N 3.15Å; Y80-Q84 PolarHBondContact O-NE2 3.13Å; Q81-Q84 PolarHBondContact O-N 3.06Å; F82-Q84 PolarHBondContact O-N 2.96Å; Q84-F90 HydrophobicContact CG-CB 4.09Å; Q84-F90 WeakPolarHBondContact CG-O 3.47Å; Q84-R91 HydrophobicContact CB-CG 4.38Å; Q84-R91 VanDerWaalsContact O-CG 3.26Å; Q84-R91 WeakPolarHBondContact O-CG 3.33Å; Q84-R91 PolarHBondContact O-NE 2.72Å; Q84-W97 HydrophobicContact CG-CH2 4.03Å; Q84-W97 HydrophobicContact CG-CZ2 4.02Å
85S96.8Very high95.7Very high77 Ų7767.6 Ų67.654%0.53834%0.341SS..Hα-helixtrans-68.3-47.4178.368.10000111.2Q81 F82 R91Q81-S85 PolarHBondContact O-N 2.83Å; Q81-S85 PolarHBondContact O-OG 3.48Å; F82-S85 PolarHBondContact O-N 2.95Å; F82-S85 PolarHBondContact O-OG 2.88Å; F82-S85 VanDerWaalsContact O-OG 3.04Å; S85-R91 PolarHBondContact O-NH2 2.81Å
86R95.3Very high95.6Very high179 Ų17968 Ų6868%0.67535%0.348SS*.Hα-helixtrans-77.2-34.2-174.2-167.660.2171.4-179.5-0.9114.7F82F82-R86 HydrophobicContact CE1-CB 4.34Å; F82-R86 HydrophobicContact CZ-CB 4.41Å; F82-R86 HydrophobicContact CZ-CG 4.4Å; F82-R86 VanDerWaalsContact O-CB 3.3Å; F82-R86 WeakPolarHBondContact O-CB 3.45Å; F82-R86 PolarHBondContact O-N 3.04Å
87F94.8Very high95.6Very high29 Ų2965.9 Ų65.913%0.12734%0.337CS..  trans-128.4116.5-176-50.7-81.4000112.2P54 Y56 L61 M64 L83 F89 F90P54-F87 HydrophobicContact CB-CD1 3.93Å; P54-F87 HydrophobicContact CB-CE1 4.1Å; P54-F87 HydrophobicContact CB-CG 4.46Å; P54-F87 HydrophobicContact CG-CB 3.82Å; P54-F87 HydrophobicContact CG-CD1 3.53Å; P54-F87 HydrophobicContact CG-CE1 4.19Å; P54-F87 HydrophobicContact CG-CG 3.71Å; Y56-F87 HydrophobicContact CD2-CE1 4.26Å; Y56-F87 HydrophobicContact CD2-CZ 4.26Å; Y56-F87 HydrophobicContact CE2-CE1 4.02Å; Y56-F87 HydrophobicContact CE2-CZ 4.24Å; L61-F87 HydrophobicContact CD2-CD2 4.02Å; L61-F87 HydrophobicContact CD2-CE2 3.48Å; L61-F87 VanDerWaalsContact CD2-CE2 3.48Å; L61-F87 HydrophobicContact CD2-CZ 3.83Å; M64-F87 HydrophobicContact CE-CZ 4.09Å; L83-F87 HydrophobicContact CD2-CD2 4.21Å; L83-F87 HydrophobicContact CD2-CE2 4.2Å; L83-F87 PolarHBondContact O-N 2.77Å; F87-F89 PolarHBondContact O-N 3.37Å; F87-F90 HydrophobicContact CB-CD2 3.85Å; F87-F90 HydrophobicContact CB-CE2 4.06Å; F87-F90 HydrophobicContact CD2-CD2 4.29Å; F87-F90 HydrophobicContact CD2-CE2 4.05Å; F87-F90 HydrophobicContact CG-CD2 4.49Å; F87-F90 HydrophobicContact CG-CE2 4.33Å; F87-F90 PolarHBondContact O-N 3.09Å
88P94.1Very high95.6Very high69 Ų6964.9 Ų64.945%0.44833%0.325SS..G310 helixtrans-54.9-27179.3-29.837000115.3P51 F90 R91P51-P88 HydrophobicContact CB-CB 3.86Å; P51-P88 HydrophobicContact CG-CB 4.38Å; P88-F90 PolarHBondContact O-N 3.14Å; P88-R91 WeakPolarHBondContact O-CB 3.43Å; P88-R91 PolarHBondContact O-N 3.32Å; P88-R91 VanDerWaalsContact O-N 3.1Å
89F93.7Very high95.6Very high61 Ų6166 Ų6627%0.26833%0.333SS..G310 helixtrans-51.7-35.2176.2176.9-103.6000114.1P51 K53 F87P51-F89 WeakPolarHBondContact O-CD2 3.37Å; K53-F89 HydrophobicContact CB-CD2 4.12Å; K53-F89 HydrophobicContact CB-CE1 4.49Å; K53-F89 HydrophobicContact CB-CE2 3.87Å; K53-F89 HydrophobicContact CB-CZ 4.07Å; K53-F89 HydrophobicContact CD-CZ 4.2Å; K53-F89 HydrophobicContact CG-CD1 4.44Å; K53-F89 HydrophobicContact CG-CE1 4.02Å; K53-F89 HydrophobicContact CG-CE2 4.23Å; K53-F89 HydrophobicContact CG-CZ 3.91Å; F87-F89 PolarHBondContact O-N 3.37Å
90F95.2Very high95.6Very high2 Ų267.7 Ų67.71%0.00935%0.345CS..G310 helixtrans-87.7-6.5-177-59.9-64.4000114.2P54 Y58 L61 L83 Q84 F87 P88 G92 W97P54-F90 HydrophobicContact CG-CE2 4.35Å; Y58-F90 HydrophobicContact CE1-CE1 4.35Å; L61-F90 HydrophobicContact CD1-CE2 4.22Å; L61-F90 HydrophobicContact CD1-CZ 3.75Å; L61-F90 HydrophobicContact CD2-CE2 4.37Å; L83-F90 HydrophobicContact CB-CB 4.46Å; L83-F90 HydrophobicContact CB-CD2 3.72Å; L83-F90 HydrophobicContact CB-CE2 4.21Å; L83-F90 HydrophobicContact CB-CG 4.14Å; L83-F90 HydrophobicContact CD2-CE2 4.23Å; L83-F90 WeakPolarHBondContact O-CD2 3.41Å; Q84-F90 HydrophobicContact CG-CB 4.09Å; Q84-F90 WeakPolarHBondContact CG-O 3.47Å; F87-F90 HydrophobicContact CB-CD2 3.85Å; F87-F90 HydrophobicContact CB-CE2 4.06Å; F87-F90 HydrophobicContact CD2-CD2 4.29Å; F87-F90 HydrophobicContact CD2-CE2 4.05Å; F87-F90 HydrophobicContact CG-CD2 4.49Å; F87-F90 HydrophobicContact CG-CE2 4.33Å; F87-F90 PolarHBondContact O-N 3.09Å; P88-F90 PolarHBondContact O-N 3.14Å; F90-G92 VanDerWaalsContact C-N 3.35Å; F90-W97 HydrophobicContact CB-CD2 4.34Å; F90-W97 HydrophobicContact CB-CH2 4.15Å; F90-W97 HydrophobicContact CB-CZ2 3.85Å; F90-W97 HydrophobicContact CD1-CB 4Å; F90-W97 AromaticContact CD1-CD2 3.47Å; F90-W97 HydrophobicContact CD1-CD2 3.47Å; F90-W97 VanDerWaalsContact CD1-CD2 3.47Å; F90-W97 AromaticContact CD1-CE2 3.9Å; F90-W97 AromaticContact CD1-CE3 3.74Å; F90-W97 HydrophobicContact CD1-CE3 3.74Å; F90-W97 AromaticContact CD1-CG 3.59Å; F90-W97 HydrophobicContact CD1-CG 3.59Å; F90-W97 HydrophobicContact CD1-CZ3 4.35Å; F90-W97 HydrophobicContact CE1-CB 3.98Å; F90-W97 HydrophobicContact CE1-CD2 4.2Å; F90-W97 HydrophobicContact CE1-CE3 4.27Å; F90-W97 HydrophobicContact CE1-CG 4.09Å; F90-W97 HydrophobicContact CG-CD2 4.27Å; F90-W97 HydrophobicContact CG-CE3 4.38Å; F90-W97 VanDerWaalsContact O-CZ2 3.3Å; F90-W97 WeakPolarHBondContact O-CZ2 3.38Å
91R94.1Very high95.6Very high152 Ų15266.2 Ų66.257%0.57434%0.339SS*.G310 helixtrans-79.9-11.5-177-58.2-178.8-173.3175.90.7114.3Q84 S85 P88Q84-R91 HydrophobicContact CB-CG 4.38Å; Q84-R91 VanDerWaalsContact O-CG 3.26Å; Q84-R91 WeakPolarHBondContact O-CG 3.33Å; Q84-R91 PolarHBondContact O-NE 2.72Å; S85-R91 PolarHBondContact O-NH2 2.81Å; P88-R91 WeakPolarHBondContact O-CB 3.43Å; P88-R91 PolarHBondContact O-N 3.32Å; P88-R91 VanDerWaalsContact O-N 3.1Å
92G90.4Very high95.7Very high40 Ų4065.9 Ų65.941%0.41233%0.333SS..SBendtrans-72.6169-176.400000114.2F90 Y94 Q95F90-G92 VanDerWaalsContact C-N 3.35Å; G92-Y94 PolarHBondContact O-N 3.19Å; G92-Q95 PolarHBondContact O-NE2 3.19Å
93S91.8Very high95.7Very high119 Ų11968.7 Ų68.783%0.83235%0.347SS*.SBendtrans-60-31.217754.50000113.3Q95S93-Q95 WeakPolarHBondContact O-CG 3.37Å; S93-Q95 PolarHBondContact O-N 2.97Å; S93-Q95 PolarHBondContact O-NE2 3.16Å
94Y93.3Very high95.7Very high168 Ų16869.9 Ų69.966%0.65935%0.353SS*.  trans-64.4113.4177.3176.5-105.3000112.5G92 W97G92-Y94 PolarHBondContact O-N 3.19Å; Y94-W97 PolarHBondContact O-NE1 2.98Å
95Q95.1Very high95.7Very high78 Ų7867.3 Ų67.336%0.36434%0.341SS..  trans-98.80.8-177.7-58.1-50.8-57.900114.9G92 S93 W97 K98G92-Q95 PolarHBondContact O-NE2 3.19Å; S93-Q95 WeakPolarHBondContact O-CG 3.37Å; S93-Q95 PolarHBondContact O-N 2.97Å; S93-Q95 PolarHBondContact O-NE2 3.16Å; Q95-W97 PolarHBondContact O-N 3.04Å; Q95-W97 VanDerWaalsContact O-N 3.1Å; Q95-K98 HydrophobicContact CB-CD 4.48Å; Q95-K98 VanDerWaalsContact O-CB 3.31Å; Q95-K98 WeakPolarHBondContact O-CB 3.31Å; Q95-K98 PolarHBondContact O-N 2.97Å
96G96.1Very high95.8Very high26 Ų2668.1 Ų68.127%0.26835%0.346SS..Hα-helixtrans-59.2-28.5-172.700000114.4K98 N99 S100G96-K98 PolarHBondContact O-N 3.28Å; G96-N99 WeakPolarHBondContact O-CB 3.42Å; G96-N99 PolarHBondContact O-N 3Å; G96-S100 PolarHBondContact O-N 3Å
97W96.6Very high95.8Very high3 Ų364.6 Ų64.61%0.01134%0.34CS..Hα-helixtrans-57.9-30.5172.662.7-95.6000113.4Y58 Y80 L83 Q84 F90 Y94 Q95 N99 S100 V101Y58-W97 HydrophobicContact CE1-CB 4.43Å; Y80-W97 HydrophobicContact CD1-CH2 4.23Å; Y80-W97 AromaticContact CD1-CZ3 3.76Å; Y80-W97 HydrophobicContact CD1-CZ3 3.76Å; Y80-W97 HydrophobicContact CE1-CZ3 4.49Å; Y80-W97 HydrophobicContact CG-CH2 4.37Å; Y80-W97 HydrophobicContact CG-CZ3 4.35Å; L83-W97 HydrophobicContact CB-CZ3 4.47Å; L83-W97 HydrophobicContact CD1-CZ3 4.25Å; Q84-W97 HydrophobicContact CG-CH2 4.03Å; Q84-W97 HydrophobicContact CG-CZ2 4.02Å; F90-W97 HydrophobicContact CB-CD2 4.34Å; F90-W97 HydrophobicContact CB-CH2 4.15Å; F90-W97 HydrophobicContact CB-CZ2 3.85Å; F90-W97 HydrophobicContact CD1-CB 4Å; F90-W97 AromaticContact CD1-CD2 3.47Å; F90-W97 HydrophobicContact CD1-CD2 3.47Å; F90-W97 VanDerWaalsContact CD1-CD2 3.47Å; F90-W97 AromaticContact CD1-CE2 3.9Å; F90-W97 AromaticContact CD1-CE3 3.74Å; F90-W97 HydrophobicContact CD1-CE3 3.74Å; F90-W97 AromaticContact CD1-CG 3.59Å; F90-W97 HydrophobicContact CD1-CG 3.59Å; F90-W97 HydrophobicContact CD1-CZ3 4.35Å; F90-W97 HydrophobicContact CE1-CB 3.98Å; F90-W97 HydrophobicContact CE1-CD2 4.2Å; F90-W97 HydrophobicContact CE1-CE3 4.27Å; F90-W97 HydrophobicContact CE1-CG 4.09Å; F90-W97 HydrophobicContact CG-CD2 4.27Å; F90-W97 HydrophobicContact CG-CE3 4.38Å; F90-W97 VanDerWaalsContact O-CZ2 3.3Å; F90-W97 WeakPolarHBondContact O-CZ2 3.38Å; Y94-W97 PolarHBondContact O-NE1 2.98Å; Q95-W97 PolarHBondContact O-N 3.04Å; Q95-W97 VanDerWaalsContact O-N 3.1Å; W97-N99 PolarHBondContact O-N 2.94Å; W97-S100 WeakPolarHBondContact O-CB 3.44Å; W97-S100 PolarHBondContact O-N 3.22Å; W97-S100 VanDerWaalsContact O-N 3.13Å; W97-V101 HydrophobicContact CE3-CG2 4.16Å; W97-V101 WeakPolarHBondContact O-CG2 3.49Å; W97-V101 PolarHBondContact O-N 2.96Å
98K97.5Very high95.9Very high45 Ų4564.7 Ų64.720%0.19634%0.343CS..Hα-helixtrans-62.9-29.5175-69.2-177.5169.1157.10111.7Y80 Q95 G96 R102Y80-K98 HydrophobicContact CD1-CB 4.45Å; Y80-K98 HydrophobicContact CD1-CD 4.38Å; Y80-K98 HydrophobicContact CD1-CG 3.89Å; Y80-K98 HydrophobicContact CD2-CD 4.05Å; Y80-K98 HydrophobicContact CD2-CG 4.43Å; Y80-K98 HydrophobicContact CE1-CB 3.74Å; Y80-K98 HydrophobicContact CE1-CD 4.27Å; Y80-K98 HydrophobicContact CE1-CG 3.67Å; Y80-K98 HydrophobicContact CE2-CD 3.95Å; Y80-K98 HydrophobicContact CE2-CG 4.26Å; Y80-K98 HydrophobicContact CG-CD 4.26Å; Y80-K98 HydrophobicContact CG-CG 4.26Å; Q95-K98 HydrophobicContact CB-CD 4.48Å; Q95-K98 VanDerWaalsContact O-CB 3.31Å; Q95-K98 WeakPolarHBondContact O-CB 3.31Å; Q95-K98 PolarHBondContact O-N 2.97Å; G96-K98 PolarHBondContact O-N 3.28Å; K98-R102 WeakPolarHBondContact O-CG 3.46Å; K98-R102 PolarHBondContact O-N 3.19Å; K98-R102 PolarHBondContact O-NH1 3.41Å
99N97.9Very high95.9Very high96 Ų9667.8 Ų67.851%0.51335%0.351SS..Hα-helixtrans-71.1-43.8173.4-159.240.3000111.2G96 W97 V101 R102 H103G96-N99 WeakPolarHBondContact O-CB 3.42Å; G96-N99 PolarHBondContact O-N 3Å; W97-N99 PolarHBondContact O-N 2.94Å; N99-V101 VanDerWaalsContact C-N 3.3Å; N99-V101 PolarHBondContact O-N 2.78Å; N99-R102 PolarHBondContact O-N 3.24Å; N99-R102 PolarHBondContact OD1-NH2 3.06Å; N99-H103 WeakPolarHBondContact O-CB 3.21Å; N99-H103 PolarHBondContact O-N 2.96Å
100S97.8Very high95.9Very high36 Ų3665.4 Ų65.425%0.25234%0.342SS..Hα-helixtrans-59.9-38.9175-50.30000112.6Y58 G96 W97 N104Y58-S100 PolarHBondContact OH-OG 3.23Å; G96-S100 PolarHBondContact O-N 3Å; W97-S100 WeakPolarHBondContact O-CB 3.44Å; W97-S100 PolarHBondContact O-N 3.22Å; W97-S100 VanDerWaalsContact O-N 3.13Å; S100-N104 WeakPolarHBondContact O-CB 3.4Å; S100-N104 PolarHBondContact O-N 2.69Å; S100-N104 PolarHBondContact O-ND2 2.74Å
101V98Very high96Very high0 Ų065.7 Ų65.70%034%0.343CS..Hα-helixtrans-61.9-51.3174.71700000111.2Y58 I62 L76 I79 Y80 L83 W97 N99 H103 N104 L105Y58-V101 HydrophobicContact CD1-CG2 4.18Å; I62-V101 HydrophobicContact CD1-CG1 4.26Å; I62-V101 HydrophobicContact CG1-CG1 4.3Å; L76-V101 HydrophobicContact CD1-CG1 4.1Å; I79-V101 HydrophobicContact CG2-CG1 3.97Å; Y80-V101 HydrophobicContact CD1-CG1 4.35Å; Y80-V101 HydrophobicContact CE1-CB 4.21Å; Y80-V101 HydrophobicContact CE1-CG1 4Å; L83-V101 HydrophobicContact CD1-CG2 3.96Å; W97-V101 HydrophobicContact CE3-CG2 4.16Å; W97-V101 WeakPolarHBondContact O-CG2 3.49Å; W97-V101 PolarHBondContact O-N 2.96Å; N99-V101 VanDerWaalsContact C-N 3.3Å; N99-V101 PolarHBondContact O-N 2.78Å; V101-H103 VanDerWaalsContact C-N 3.35Å; V101-H103 PolarHBondContact O-N 3.09Å; V101-N104 PolarHBondContact O-N 2.96Å; V101-L105 HydrophobicContact CG1-CD1 4.19Å; V101-L105 WeakPolarHBondContact O-CG 3.43Å; V101-L105 PolarHBondContact O-N 3.03Å
102R98.2Very high96.2Very high105 Ų10561.8 Ų61.840%0.39633%0.332SS..Hα-helixtrans-56.3-48.2176.8-71.2-174-56.7-96.413.2112.2L76 Y80 K98 N99 N104 L105 S106L76-R102 HydrophobicContact CD1-CG 3.97Å; L76-R102 HydrophobicContact CD2-CG 3.84Å; Y80-R102 PolarHBondContact OH-NH1 3.12Å; Y80-R102 VanDerWaalsContact OH-NH1 3.16Å; K98-R102 WeakPolarHBondContact O-CG 3.46Å; K98-R102 PolarHBondContact O-N 3.19Å; K98-R102 PolarHBondContact O-NH1 3.41Å; N99-R102 PolarHBondContact O-N 3.24Å; N99-R102 PolarHBondContact OD1-NH2 3.06Å; R102-N104 VanDerWaalsContact C-N 3.33Å; R102-N104 PolarHBondContact O-N 2.91Å; R102-L105 PolarHBondContact O-N 3.16Å; R102-S106 PolarHBondContact O-N 3.28Å; R102-S106 VanDerWaalsContact O-N 3.16Å; R102-S106 PolarHBondContact O-OG 3.21Å
103H98.2Very high96.5Very high99 Ų9965.6 Ų65.646%0.45834%0.338SS..Hα-helixtrans-61.2-39.1178.8169.973.2000112.5N99 V101 S106 L107N99-H103 WeakPolarHBondContact O-CB 3.21Å; N99-H103 PolarHBondContact O-N 2.96Å; V101-H103 VanDerWaalsContact C-N 3.35Å; V101-H103 PolarHBondContact O-N 3.09Å; H103-S106 PolarHBondContact O-N 3.3Å; H103-S106 PolarHBondContact O-OG 3.07Å; H103-S106 VanDerWaalsContact O-OG 3.09Å; H103-L107 VanDerWaalsContact CE1-CD1 3.41Å; H103-L107 WeakPolarHBondContact CE1-CD1 3.48Å; H103-L107 WeakPolarHBondContact O-CB 3.3Å; H103-L107 PolarHBondContact O-N 3.15Å
104N98.1Very high96.7Very high25 Ų2562.4 Ų62.413%0.13431%0.311CS..Hα-helixtrans-70.6-34177.7-84.2-105.2000112.7I62 S100 V101 R102 S106 N108I62-N104 HydrophobicContact CD1-CB 3.94Å; S100-N104 WeakPolarHBondContact O-CB 3.4Å; S100-N104 PolarHBondContact O-N 2.69Å; S100-N104 PolarHBondContact O-ND2 2.74Å; V101-N104 PolarHBondContact O-N 2.96Å; R102-N104 VanDerWaalsContact C-N 3.33Å; R102-N104 PolarHBondContact O-N 2.91Å; N104-S106 VanDerWaalsContact C-N 3.34Å; N104-N108 PolarHBondContact O-N 2.82Å; N104-N108 PolarHBondContact O-ND2 3.42Å; N104-N108 PolarHBondContact OD1-ND2 2.92Å
105L97.9Very high96.7Very high4 Ų459.4 Ų59.42%0.02131%0.312CS..Hα-helixtrans-64.5-35.7173.1-71.3167.2000112.4I62 L76 I79 V101 R102 F111 W127I62-L105 HydrophobicContact CD1-CD2 4.15Å; I62-L105 HydrophobicContact CD1-CG 4.03Å; I62-L105 HydrophobicContact CG2-CD2 3.71Å; L76-L105 HydrophobicContact CD1-CD1 3.7Å; I79-L105 HydrophobicContact CD1-CD1 4.24Å; I79-L105 HydrophobicContact CD1-CD2 4.28Å; V101-L105 HydrophobicContact CG1-CD1 4.19Å; V101-L105 WeakPolarHBondContact O-CG 3.43Å; V101-L105 PolarHBondContact O-N 3.03Å; R102-L105 PolarHBondContact O-N 3.16Å; L105-F111 HydrophobicContact CD2-CB 4.08Å; L105-F111 HydrophobicContact CD2-CD1 4.42Å; L105-F111 HydrophobicContact CD2-CD2 4.17Å; L105-F111 HydrophobicContact CD2-CG 3.96Å; L105-W127 HydrophobicContact CB-CD2 4.22Å; L105-W127 HydrophobicContact CB-CE3 4.15Å; L105-W127 HydrophobicContact CB-CH2 3.99Å; L105-W127 HydrophobicContact CB-CZ2 4.08Å; L105-W127 HydrophobicContact CB-CZ3 4.03Å; L105-W127 HydrophobicContact CD1-CD2 4.33Å; L105-W127 HydrophobicContact CD1-CG 4.38Å; L105-W127 HydrophobicContact CD2-CB 4.15Å; L105-W127 HydrophobicContact CD2-CD2 3.88Å; L105-W127 HydrophobicContact CD2-CE3 4.02Å; L105-W127 HydrophobicContact CD2-CG 3.94Å; L105-W127 HydrophobicContact CG-CD2 4.38Å; L105-W127 WeakPolarHBondContact O-CZ3 3.33Å
106S97.2Very high96.3Very high94 Ų9457.8 Ų57.866%0.65730%0.304SS*.Hα-helixtrans-87.8-22.1179.457.30000115R102 H103 N104R102-S106 PolarHBondContact O-N 3.28Å; R102-S106 VanDerWaalsContact O-N 3.16Å; R102-S106 PolarHBondContact O-OG 3.21Å; H103-S106 PolarHBondContact O-N 3.3Å; H103-S106 PolarHBondContact O-OG 3.07Å; H103-S106 VanDerWaalsContact O-OG 3.09Å; N104-S106 VanDerWaalsContact C-N 3.34Å
107L96.3Very high95.6Very high105 Ų10559.1 Ų59.155%0.5532%0.318SS..Hα-helixtrans-92-30.1-175.1-179.5146.9000113.7H103H103-L107 VanDerWaalsContact CE1-CD1 3.41Å; H103-L107 WeakPolarHBondContact CE1-CD1 3.48Å; H103-L107 WeakPolarHBondContact O-CB 3.3Å; H103-L107 PolarHBondContact O-N 3.15Å
108N95.7Very high94.4Very high32 Ų3267.8 Ų67.817%0.17136%0.364CS..  trans-103.8123.3-172.3-59.1-88.2000111.1I59 N104 C110 F111I59-N108 VanDerWaalsContact CD1-OD1 3.26Å; I59-N108 WeakPolarHBondContact CD1-OD1 3.2Å; N104-N108 PolarHBondContact O-N 2.82Å; N104-N108 PolarHBondContact O-ND2 3.42Å; N104-N108 PolarHBondContact OD1-ND2 2.92Å; N108-C110 PolarHBondContact O-N 3.07Å; N108-F111 HydrophobicContact CB-CD2 4.26Å; N108-F111 HydrophobicContact CB-CE2 4.48Å; N108-F111 PolarHBondContact O-N 2.99Å; N108-F111 VanDerWaalsContact O-N 3.07Å
109E94.3Very high93.3Very high134 Ų13469.1 Ų69.163%0.62639%0.39SS*.THydrogen-bonded Turntrans-50-28.3175-57.5159.2128.700112.9F111 R150E109-F111 PolarHBondContact O-N 3Å; E109-R150 IonicContact OE2-CZ 3.61Å; E109-R150 IonicContact OE2-NH1 3.95Å; E109-R150 PolarHBondContact OE2-NH1 3.27Å; E109-R150 VanDerWaalsContact OE2-NH1 3.14Å; E109-R150 IonicContact OE2-NH2 3.02Å; E109-R150 PolarHBondContact OE2-NH2 3.48Å
110C95.1Very high92.2Very high10 Ų1073.8 Ų73.87%0.06840%0.4CS..THydrogen-bonded Turntrans-59.5-10.4177.1-51.90000115.2N108 I129 D130 S133N108-C110 PolarHBondContact O-N 3.07Å; C110-I129 WeakPolarHBondContact O-CA 3.31Å; C110-D130 PolarHBondContact O-N 2.99Å; C110-S133 WeakPolarHBondContact CA-OG 3.44Å
111F97.4Very high91Very high9 Ų978.7 Ų78.74%0.03943%0.431CS..EExtended strand (participates in β ladder)trans-123.8116.7178-55.6-58000111.3I59 I62 V63 I66 L105 N108 E109 W127 T128 I129I59-F111 HydrophobicContact CB-CE2 4.38Å; I59-F111 HydrophobicContact CB-CZ 4.36Å; I59-F111 HydrophobicContact CG1-CE2 4.47Å; I59-F111 HydrophobicContact CG2-CE2 3.98Å; I59-F111 HydrophobicContact CG2-CZ 3.76Å; I62-F111 HydrophobicContact CB-CE1 3.99Å; I62-F111 HydrophobicContact CB-CE2 4.27Å; I62-F111 HydrophobicContact CB-CZ 3.64Å; I62-F111 HydrophobicContact CD1-CE2 4.04Å; I62-F111 HydrophobicContact CD1-CZ 4.28Å; I62-F111 HydrophobicContact CG2-CD1 3.88Å; I62-F111 HydrophobicContact CG2-CE1 3.38Å; I62-F111 HydrophobicContact CG2-CE2 4.14Å; I62-F111 HydrophobicContact CG2-CG 4.45Å; I62-F111 HydrophobicContact CG2-CZ 3.52Å; V63-F111 HydrophobicContact CG2-CE1 3.77Å; V63-F111 HydrophobicContact CG2-CZ 3.95Å; I66-F111 HydrophobicContact CD1-CD1 4.08Å; I66-F111 HydrophobicContact CD1-CE1 4.27Å; L105-F111 HydrophobicContact CD2-CB 4.08Å; L105-F111 HydrophobicContact CD2-CD1 4.42Å; L105-F111 HydrophobicContact CD2-CD2 4.17Å; L105-F111 HydrophobicContact CD2-CG 3.96Å; N108-F111 HydrophobicContact CB-CD2 4.26Å; N108-F111 HydrophobicContact CB-CE2 4.48Å; N108-F111 PolarHBondContact O-N 2.99Å; N108-F111 VanDerWaalsContact O-N 3.07Å; E109-F111 PolarHBondContact O-N 3Å; F111-W127 HydrophobicContact CB-CE3 4.12Å; F111-W127 HydrophobicContact CB-CZ3 4.48Å; F111-T128 WeakPolarHBondContact CA-O 3.43Å; F111-I129 HydrophobicContact CE1-CG1 4.49Å
112I97.1Very high90.1Very high69 Ų6981 Ų8135%0.35446%0.455SS..EExtended strand (participates in β ladder)trans-105.9140.1177.160.7176.1000111.4W127 T128 D130I112-W127 WeakPolarHBondContact O-CA 3.46Å; I112-T128 HydrophobicContact CD1-CG2 3.79Å; I112-T128 HydrophobicContact CG1-CG2 3.37Å; I112-T128 PolarHBondContact N-O 3.31Å; I112-T128 PolarHBondContact O-N 3.26Å; I112-T128 VanDerWaalsContact O-N 3.13Å; I112-D130 HydrophobicContact CG2-CB 4.17Å
113K97.3Very high89.4Confident121 Ų12185.8 Ų85.853%0.52648%0.479SS..EExtended strand (participates in β ladder)trans-90.4108.4-176.2178-167.3165.9-162.20109.6H125 W127K113-H125 WeakPolarHBondContact CE-CD2 3.19Å; K113-H125 VanDerWaalsContact CE-CG 3.4Å; K113-H125 WeakPolarHBondContact CE-NE2 3.49Å; K113-H125 HydrophobicContact CG-CB 3.97Å; K113-W127 HydrophobicContact CB-CE3 4.11Å; K113-W127 HydrophobicContact CB-CH2 3.95Å; K113-W127 HydrophobicContact CB-CZ2 4.36Å; K113-W127 HydrophobicContact CB-CZ3 3.81Å; K113-W127 HydrophobicContact CG-CH2 4.38Å; K113-W127 HydrophobicContact CG-CZ2 4.37Å
114L95.3Very high89Confident52 Ų5283.3 Ų83.327%0.27248%0.48SS..EExtended strand (participates in β ladder)trans-90141.1177.7-60.9178.6000111.7Y126 T128L114-Y126 PolarHBondContact N-O 2.81Å; L114-Y126 PolarHBondContact O-N 2.99Å; L114-T128 HydrophobicContact CD1-CG2 3.66Å; L114-T128 HydrophobicContact CD2-CG2 4.25Å; L114-T128 HydrophobicContact CG-CG2 3.87Å
115P93.1Very high88.8Confident104 Ų10485.9 Ų85.968%0.67549%0.491SS*.PPolyproline II helixtrans-64.6154.9171.229.3-34.8000111.1
116K87.4Confident88.8Confident44 Ų4488.4 Ų88.419%0.19150%0.5CS..PPolyproline II helixtrans-95.1134.5167.1-63.6-177.670-177.60108.2L118 G122 G124 Y126K116-L118 PolarHBondContact O-N 3.34Å; K116-G122 VanDerWaalsContact NZ-C 3.31Å; K116-G122 PolarHBondContact NZ-O 3.1Å; K116-G124 WeakPolarHBondContact CD-O 3.49Å; K116-Y126 HydrophobicContact CD-CE2 4.48Å; K116-Y126 HydrophobicContact CG-CD2 3.79Å; K116-Y126 HydrophobicContact CG-CE2 3.88Å
117G82Confident88.8Confident55 Ų5585.9 Ų85.957%0.56748%0.476SS*.PPolyproline II helixtrans-59.2136.4175.100000111.1G119 R120G117-G119 PolarHBondContact O-N 2.89Å; G117-R120 PolarHBondContact O-N 3.16Å
118L71.4Confident88.9Confident185 Ų18582.1 Ų82.197%0.96946%0.458SS*.THydrogen-bonded Turntrans-61-20-163.8-78.265.4000114.4K116 R120K116-L118 PolarHBondContact O-N 3.34Å; L118-R120 PolarHBondContact O-N 3.1Å
119G73.6Confident88.9Confident72 Ų7280.7 Ų80.774%0.74245%0.45SS*.THydrogen-bonded Turntrans-84.37178.900000116.8G117G117-G119 PolarHBondContact O-N 2.89Å
120R75.3Confident89Confident195 Ų19576.3 Ų76.374%0.73643%0.431SS*.  trans-117.795.6178.8-65.4-152.1-176.2-74.41.9112.9G117 L118 G122G117-R120 PolarHBondContact O-N 3.16Å; L118-R120 PolarHBondContact O-N 3.1Å; R120-G122 PolarHBondContact O-N 3.48Å
121P71.9Confident89Confident138 Ų13880.2 Ų80.290%0.89646%0.456SS*.  trans-63.4120.4178.726.5-34000110.5
122G79.3Confident88.6Confident49 Ų4983.4 Ų83.451%0.50548%0.484SS..  trans169.3142176.400000112.7K116 R120K116-G122 VanDerWaalsContact NZ-C 3.31Å; K116-G122 PolarHBondContact NZ-O 3.1Å; R120-G122 PolarHBondContact O-N 3.48Å
123K83.1Confident88.2Confident206 Ų20680.2 Ų80.290%0.89647%0.468SS*.SBendtrans-58.9150.7-171.7-164.1165.1-174.8165.50113.8
124G90Very high87.8Confident46 Ų4677.8 Ų77.847%0.47446%0.459SS..SBendtrans82.6-166.4168.200000115.5K116K116-G124 WeakPolarHBondContact CD-O 3.49Å
125H94.9Very high87.4Confident80 Ų8081.5 Ų81.537%0.3747%0.473SS..  trans-126.8163.2176.9-6973.5000108.9T75 K113T75-H125 WeakPolarHBondContact CA-O 3.3Å; K113-H125 WeakPolarHBondContact CE-CD2 3.19Å; K113-H125 VanDerWaalsContact CE-CG 3.4Å; K113-H125 WeakPolarHBondContact CE-NE2 3.49Å; K113-H125 HydrophobicContact CG-CB 3.97Å
126Y96.6Very high86.9Confident56 Ų5678.4 Ų78.422%0.2245%0.45CS..EExtended strand (participates in β ladder)trans-81.8149.6167.7-71-65.1000110.2R73 T75 L114 K116R73-Y126 HydrophobicContact CG-CD1 4.19Å; R73-Y126 HydrophobicContact CG-CG 4.35Å; T75-Y126 HydrophobicContact CG2-CD1 3.73Å; T75-Y126 HydrophobicContact CG2-CE1 3.73Å; L114-Y126 PolarHBondContact N-O 2.81Å; L114-Y126 PolarHBondContact O-N 2.99Å; K116-Y126 HydrophobicContact CD-CE2 4.48Å; K116-Y126 HydrophobicContact CG-CD2 3.79Å; K116-Y126 HydrophobicContact CG-CE2 3.88Å
127W97.9Very high86.6Confident41 Ų4177.3 Ų77.316%0.15545%0.445CS..EExtended strand (participates in β ladder)trans-122.3132.9170.6-64.890.2000108.4I66 R73 L74 I79 L105 F111 I112 K113I66-W127 HydrophobicContact CD1-CB 4.48Å; R73-W127 CarbonylContact C-O 3.57Å; R73-W127 VanDerWaalsContact CA-O 3.23Å; R73-W127 WeakPolarHBondContact CA-O 3.37Å; L74-W127 PolarHBondContact N-O 2.98Å; L74-W127 PolarHBondContact O-N 3.21Å; I79-W127 HydrophobicContact CD1-CB 4.5Å; L105-W127 HydrophobicContact CB-CD2 4.22Å; L105-W127 HydrophobicContact CB-CE3 4.15Å; L105-W127 HydrophobicContact CB-CH2 3.99Å; L105-W127 HydrophobicContact CB-CZ2 4.08Å; L105-W127 HydrophobicContact CB-CZ3 4.03Å; L105-W127 HydrophobicContact CD1-CD2 4.33Å; L105-W127 HydrophobicContact CD1-CG 4.38Å; L105-W127 HydrophobicContact CD2-CB 4.15Å; L105-W127 HydrophobicContact CD2-CD2 3.88Å; L105-W127 HydrophobicContact CD2-CE3 4.02Å; L105-W127 HydrophobicContact CD2-CG 3.94Å; L105-W127 HydrophobicContact CG-CD2 4.38Å; L105-W127 WeakPolarHBondContact O-CZ3 3.33Å; F111-W127 HydrophobicContact CB-CE3 4.12Å; F111-W127 HydrophobicContact CB-CZ3 4.48Å; I112-W127 WeakPolarHBondContact O-CA 3.46Å; K113-W127 HydrophobicContact CB-CE3 4.11Å; K113-W127 HydrophobicContact CB-CH2 3.95Å; K113-W127 HydrophobicContact CB-CZ2 4.36Å; K113-W127 HydrophobicContact CB-CZ3 3.81Å; K113-W127 HydrophobicContact CG-CH2 4.38Å; K113-W127 HydrophobicContact CG-CZ2 4.37Å
128T97.7Very high86.4Confident26 Ų2682 Ų8216%0.1645%0.452CS..EExtended strand (participates in β ladder)trans-121.9164.5169.8-178.30000109.2K72 F111 I112 L114K72-T128 PolarHBondContact O-OG1 3.26Å; F111-T128 WeakPolarHBondContact CA-O 3.43Å; I112-T128 HydrophobicContact CD1-CG2 3.79Å; I112-T128 HydrophobicContact CG1-CG2 3.37Å; I112-T128 PolarHBondContact N-O 3.31Å; I112-T128 PolarHBondContact O-N 3.26Å; I112-T128 VanDerWaalsContact O-N 3.13Å; L114-T128 HydrophobicContact CD1-CG2 3.66Å; L114-T128 HydrophobicContact CD2-CG2 4.25Å; L114-T128 HydrophobicContact CG-CG2 3.87Å
129I96.9Very high86.4Confident3 Ų381.3 Ų81.32%0.01544%0.444CS..EExtended strand (participates in β ladder)trans-69.5142.7164.4-62.9156.9000107.8V63 I66 Q67 C110 F111 E134V63-I129 HydrophobicContact CB-CD1 4.35Å; V63-I129 HydrophobicContact CG1-CD1 3.87Å; V63-I129 HydrophobicContact CG2-CD1 4.31Å; V63-I129 HydrophobicContact CG2-CG1 4.29Å; I66-I129 HydrophobicContact CB-CD1 4.18Å; I66-I129 HydrophobicContact CB-CG1 4.29Å; I66-I129 HydrophobicContact CD1-CG1 4.31Å; I66-I129 HydrophobicContact CG2-CD1 3.96Å; I66-I129 HydrophobicContact CG2-CG1 3.99Å; Q67-I129 HydrophobicContact CG-CD1 3.74Å; C110-I129 WeakPolarHBondContact O-CA 3.31Å; F111-I129 HydrophobicContact CE1-CG1 4.49Å; I129-E134 HydrophobicContact CG2-CB 3.98Å; I129-E134 HydrophobicContact CG2-CG 4.37Å
130D96.3Very high86.2Confident41 Ų4179.9 Ų79.922%0.21943%0.43CS..  trans-70.2124.2167.9167.222.6000109.5C110 I112 A132 S133 E134C110-D130 PolarHBondContact O-N 2.99Å; I112-D130 HydrophobicContact CG2-CB 4.17Å; D130-A132 PolarHBondContact O-N 3.21Å; D130-A132 PolarHBondContact OD1-N 3.13Å; D130-S133 CarbonylContact O-C 3.58Å; D130-S133 WeakPolarHBondContact O-CA 3.34Å; D130-S133 WeakPolarHBondContact O-CB 3.46Å; D130-S133 PolarHBondContact O-N 3.48Å; D130-S133 PolarHBondContact O-OG 2.96Å; D130-E134 PolarHBondContact O-N 2.94Å; D130-E134 VanDerWaalsContact O-N 3.14Å
131P94.1Very high86.1Confident93 Ų9372.2 Ų72.260%0.60441%0.406SS*.Hα-helixtrans-52.6-34.9175.6-27.936.2000113.8S133 E134P131-S133 PolarHBondContact O-N 3.28Å; P131-E134 PolarHBondContact O-N 2.95Å
132A90.6Very high86.3Confident75 Ų7567.7 Ų67.762%0.6237%0.372SS*.Hα-helixtrans-71.64.1175.200000113.7D130 F135D130-A132 PolarHBondContact O-N 3.21Å; D130-A132 PolarHBondContact OD1-N 3.13Å; A132-F135 VanDerWaalsContact O-CE1 3.31Å; A132-F135 WeakPolarHBondContact O-CE1 3.15Å
133S88.6Confident85.9Confident3 Ų375.2 Ų75.22%0.02139%0.386CS..Hα-helixtrans-126.8-11.8175.680.60000114.5C110 D130 P131 F135 M136 F137C110-S133 WeakPolarHBondContact CA-OG 3.44Å; D130-S133 CarbonylContact O-C 3.58Å; D130-S133 WeakPolarHBondContact O-CA 3.34Å; D130-S133 WeakPolarHBondContact O-CB 3.46Å; D130-S133 PolarHBondContact O-N 3.48Å; D130-S133 PolarHBondContact O-OG 2.96Å; P131-S133 PolarHBondContact O-N 3.28Å; S133-F135 PolarHBondContact O-N 3.38Å; S133-M136 WeakPolarHBondContact O-CB 3.37Å; S133-M136 PolarHBondContact O-N 2.81Å; S133-M136 VanDerWaalsContact O-N 3.09Å; S133-F137 WeakPolarHBondContact O-CD2 3.26Å
134E88.9Confident85Confident69 Ų6974.3 Ų74.332%0.32238%0.376SS..Hα-helixtrans-63.5-39.4-169.4-172.9153.8-148.700112.6I129 D130 P131 M136 F137I129-E134 HydrophobicContact CG2-CB 3.98Å; I129-E134 HydrophobicContact CG2-CG 4.37Å; D130-E134 PolarHBondContact O-N 2.94Å; D130-E134 VanDerWaalsContact O-N 3.14Å; P131-E134 PolarHBondContact O-N 2.95Å; E134-M136 PolarHBondContact O-N 3.28Å; E134-F137 PolarHBondContact O-N 3.27Å
135F85.7Confident83.9Confident130 Ų13076.8 Ų76.857%0.5737%0.371SS*.Hα-helixtrans-54-24.8175.173.3-95.9000113.8A132 S133 F137A132-F135 VanDerWaalsContact O-CE1 3.31Å; A132-F135 WeakPolarHBondContact O-CE1 3.15Å; S133-F135 PolarHBondContact O-N 3.38Å; F135-F137 PolarHBondContact O-N 3.43Å
136M82.8Confident82.4Confident40 Ų4078.2 Ų78.220%0.19739%0.388CS..Hα-helixtrans-69.7-11.5178.7-68.9-169.3-83.700113.6S133 E134 R145S133-M136 WeakPolarHBondContact O-CB 3.37Å; S133-M136 PolarHBondContact O-N 2.81Å; S133-M136 VanDerWaalsContact O-N 3.09Å; E134-M136 PolarHBondContact O-N 3.28Å; M136-R145 PolarHBondContact O-NH2 3.16Å
137F82.3Confident80.7Confident20 Ų2087.4 Ų87.49%0.08842%0.422CS..Hα-helixtrans-124.9-4.3-173.7-51.4-76.3000114.2I59 V63 S133 E134 F135 F142I59-F137 HydrophobicContact CG2-CE1 4.05Å; I59-F137 HydrophobicContact CG2-CZ 3.78Å; V63-F137 HydrophobicContact CB-CD1 4.4Å; V63-F137 HydrophobicContact CB-CG 4.41Å; V63-F137 HydrophobicContact CG1-CB 3.68Å; V63-F137 HydrophobicContact CG1-CD1 4.06Å; V63-F137 HydrophobicContact CG1-CD2 4.15Å; V63-F137 HydrophobicContact CG1-CG 3.7Å; V63-F137 HydrophobicContact CG2-CD1 4.05Å; V63-F137 HydrophobicContact CG2-CD2 3.98Å; V63-F137 HydrophobicContact CG2-CE1 3.99Å; V63-F137 HydrophobicContact CG2-CE2 3.92Å; V63-F137 HydrophobicContact CG2-CG 4.05Å; V63-F137 HydrophobicContact CG2-CZ 3.92Å; S133-F137 WeakPolarHBondContact O-CD2 3.26Å; E134-F137 PolarHBondContact O-N 3.27Å; F135-F137 PolarHBondContact O-N 3.43Å; F137-F142 HydrophobicContact CB-CE1 4.26Å
138E76.9Confident78.8Confident154 Ų15487.7 Ų87.772%0.7244%0.438SS*.Hα-helixtrans-72.2-43.7-175.7-167.8165.3-16100112.3G140E138-G140 PolarHBondContact O-N 3.5Å
139E71.5Confident76.8Confident170 Ų17092.2 Ų92.279%0.79446%0.455SS*.THydrogen-bonded Turntrans-69.921.2177.5-54.8179.6140.300114.6S141E139-S141 PolarHBondContact O-N 3.09Å; E139-S141 VanDerWaalsContact O-N 3.16Å
140G69.1Low74.9Confident43 Ų4398.4 Ų98.444%0.44348%0.479SS..SBendtrans67.213.9-176.600000114.8E138 F142E138-G140 PolarHBondContact O-N 3.5Å; G140-F142 WeakPolarHBondContact O-CD2 3.41Å; G140-F142 PolarHBondContact O-N 2.95Å
141S72.4Confident72.9Confident34 Ų34106 Ų10624%0.23850%0.504CS..  trans-70.942.1-176.1177.50000114.4E139 R143 R145E139-S141 PolarHBondContact O-N 3.09Å; E139-S141 VanDerWaalsContact O-N 3.16Å; S141-R143 PolarHBondContact O-N 3.39Å; S141-R145 PolarHBondContact OG-NE 2.86Å; S141-R145 VanDerWaalsContact OG-NE 3.16Å; S141-R145 PolarHBondContact OG-NH2 3.02Å
142F76.9Confident70.8Confident42 Ų42109.8 Ų109.818%0.18451%0.511CS..  trans-71.4-15.2178.2-56.3-66.8000113.9Y56 A60 V63 M64 F137 G140Y56-F142 HydrophobicContact CD1-CB 3.84Å; Y56-F142 HydrophobicContact CE1-CB 3.85Å; A60-F142 HydrophobicContact CB-CB 4.18Å; A60-F142 HydrophobicContact CB-CD1 4.3Å; A60-F142 WeakPolarHBondContact CB-O 3.49Å; V63-F142 HydrophobicContact CG1-CE1 3.98Å; M64-F142 HydrophobicContact CG-CD1 3.81Å; M64-F142 HydrophobicContact CG-CE1 3.73Å; M64-F142 HydrophobicContact CG-CG 4.3Å; M64-F142 HydrophobicContact CG-CZ 4.14Å; M64-F142 HydrophobicContact SD-CD1 4.39Å; M64-F142 HydrophobicContact SD-CG 4.31Å; F137-F142 HydrophobicContact CB-CE1 4.26Å; G140-F142 WeakPolarHBondContact O-CD2 3.41Å; G140-F142 PolarHBondContact O-N 2.95Å
143R70.1Confident69.1Low208 Ų208110.3 Ų110.379%0.78551%0.509SS*.BIsolated β-bridgetrans-68.2145.3174.7-63.8-17773.5-143.34.8110.6S141 R145S141-R143 PolarHBondContact O-N 3.39Å; R143-R145 PolarHBondContact O-N 3.31Å; R143-R145 VanDerWaalsContact O-N 3.1Å
144R65.4Low67.6Low187 Ų187116.1 Ų116.171%0.70654%0.536SS*.  trans-66.2109.3-178.4-63.5-177.966.1-165.20.1111.3
145R66.6Low65.9Low98 Ų98116.9 Ų116.937%0.3755%0.554SS.*  trans-60.6137.2168.5-62.7-178.4-174.1160.82.4110M136 S141 R143M136-R145 PolarHBondContact O-NH2 3.16Å; S141-R145 PolarHBondContact OG-NE 2.86Å; S141-R145 VanDerWaalsContact OG-NE 3.16Å; S141-R145 PolarHBondContact OG-NH2 3.02Å; R143-R145 PolarHBondContact O-N 3.31Å; R143-R145 VanDerWaalsContact O-N 3.1Å
146P63.4Low64.6Low110 Ų110118.1 Ų118.171%0.71457%0.566SS**  trans-58.4148174.1-25.635.2000112.5G148 F149P146-G148 PolarHBondContact O-N 3.14Å; P146-F149 PolarHBondContact O-N 3.44Å
147R59.9Low63Low248 Ų248124.2 Ų124.294%0.93659%0.591SS**THydrogen-bonded Turntrans-57.2-19.1-172-78.3-171.7-179.9-103.611.9115.1F149R147-F149 PolarHBondContact O-N 3.29Å
148G59.2Low61.3Low47 Ų47128 Ų12849%0.48562%0.617SS.*THydrogen-bonded Turntrans-70.2-21.4-178.700000115.9P146 R150P146-G148 PolarHBondContact O-N 3.14Å; G148-R150 PolarHBondContact O-N 2.94Å
149F55.9Low60Low121 Ų121128 Ų12853%0.53162%0.62SS.*THydrogen-bonded Turntrans-68-38.1-166.1-167.1-98.2000114.6P146 R147 R151 K152P146-F149 PolarHBondContact O-N 3.44Å; R147-F149 PolarHBondContact O-N 3.29Å; F149-R151 PolarHBondContact O-N 3.44Å; F149-K152 PolarHBondContact O-N 3.39Å
150R56.2Low59.1Low134 Ų134129.2 Ų129.251%0.50662%0.618SS.*THydrogen-bonded Turntrans-66.2-15-171-135.7-169.7-167-138.94.4114.3E109 G148 K152E109-R150 IonicContact OE2-CZ 3.61Å; E109-R150 IonicContact OE2-NH1 3.95Å; E109-R150 PolarHBondContact OE2-NH1 3.27Å; E109-R150 VanDerWaalsContact OE2-NH1 3.14Å; E109-R150 IonicContact OE2-NH2 3.02Å; E109-R150 PolarHBondContact OE2-NH2 3.48Å; G148-R150 PolarHBondContact O-N 2.94Å; R150-K152 PolarHBondContact O-N 3.07Å
151R55.2Low58.3Low200 Ų200132.7 Ų132.776%0.75564%0.636SS**Hα-helixtrans-66.7-29.3179.4-72.5-165.5-68.8174.8-2113.9F149F149-R151 PolarHBondContact O-N 3.44Å
152K49.6Very low57.5Low172 Ų172138 Ų13875%0.74866%0.659SS**Hα-helixtrans-72.2-38.2-177.5-69.9-167.1173.8-169.70112.9F149 R150 Q154 A155F149-K152 PolarHBondContact O-N 3.39Å; R150-K152 PolarHBondContact O-N 3.07Å; K152-Q154 VanDerWaalsContact C-N 3.28Å; K152-Q154 PolarHBondContact O-N 3.34Å; K152-A155 PolarHBondContact O-N 3.25Å
153C54.5Low56.3Low87 Ų87144.5 Ų144.559%0.58869%0.692SS**Hα-helixtrans-70-21.4-178.9-54.20000113.7
154Q56.1Low55.4Low125 Ų125142.2 Ų142.258%0.58470%0.695SS**Hα-helixtrans-83.7-21.1178.2-69.9-179-31.800113K152 L156 K157K152-Q154 VanDerWaalsContact C-N 3.28Å; K152-Q154 PolarHBondContact O-N 3.34Å; Q154-L156 PolarHBondContact O-N 3.34Å; Q154-K157 PolarHBondContact O-N 3.39Å
155A54Low54.7Low84 Ų84136.6 Ų136.669%0.69470%0.695SS**THydrogen-bonded Turntrans-73.1-6179.800000114.4K152K152-A155 PolarHBondContact O-N 3.25Å
156L58.7Low53.9Low156 Ų156140.5 Ų140.582%0.81772%0.723SS**THydrogen-bonded Turntrans-98.16.6177.1-70.6170.6000113.6Q154Q154-L156 PolarHBondContact O-N 3.34Å
157K48Very low52.9Low169 Ų169139 Ų13974%0.73573%0.727SS**SBendtrans-83.1121.2164.9-69.7-167.7174.2-169.40108.8Q154Q154-K157 PolarHBondContact O-N 3.39Å
158P47Very low51.9Low98 Ų98136.1 Ų136.164%0.63672%0.722SS**  trans-65.1141.3-176.323.2-31.5000112.3Y160P158-Y160 VanDerWaalsContact C-N 3.28Å; P158-Y160 HydrophobicContact CB-CD1 4.32Å; P158-Y160 HydrophobicContact CG-CD1 4.03Å; P158-Y160 HydrophobicContact CG-CE1 4.06Å; P158-Y160 WeakPolarHBondContact O-CD1 3.34Å; P158-Y160 PolarHBondContact O-N 2.92Å
159M50Low51.1Low156 Ų156141.9 Ų141.977%0.76874%0.741SS**SBendtrans-78.458.8-171.6-77.9-72-158.900113.9M162M159-M162 HydrophobicContact CB-CE 4.1Å; M159-M162 HydrophobicContact SD-SD 4.04Å
160Y53.5Low50.2Low195 Ų195142.9 Ų142.977%0.76575%0.747SS**  trans-99-5.7175.569.9-93.1000114.5P158 M162P158-Y160 VanDerWaalsContact C-N 3.28Å; P158-Y160 HydrophobicContact CB-CD1 4.32Å; P158-Y160 HydrophobicContact CG-CD1 4.03Å; P158-Y160 HydrophobicContact CG-CE1 4.06Å; P158-Y160 WeakPolarHBondContact O-CD1 3.34Å; P158-Y160 PolarHBondContact O-N 2.92Å; Y160-M162 PolarHBondContact O-N 3.44Å
161S52.3Low49.7Very low116 Ų116143.1 Ų143.181%0.81176%0.758SS**THydrogen-bonded Turntrans-85.51.8-173.3-168.70000115.5
162M54.2Low49.5Very low146 Ų146138.7 Ų138.772%0.71976%0.755SS**THydrogen-bonded Turntrans-113.210.8-168.868.8-170.9-17500115.3M159 Y160M159-M162 HydrophobicContact CB-CE 4.1Å; M159-M162 HydrophobicContact SD-SD 4.04Å; Y160-M162 PolarHBondContact O-N 3.44Å
163M52.8Low48.8Very low177 Ų177137.6 Ų137.687%0.87275%0.753SS**SBendtrans-119.738.9-173.6-159.466.9152.300112.9
164N51.1Low47.9Very low160 Ų160137.1 Ų137.186%0.85675%0.75SS**  trans-136.841.1-177.5-154.2106.9000111.9
165G50Low47Very low69 Ų69141.6 Ų141.671%0.71176%0.764SS**  trans-137.819.1-16700000116.1
166L50.7Low46.1Very low181 Ų181145.2 Ų145.295%0.94877%0.771SS**SBendtrans-133.3132.2168.4-68.8175.4000108.3
167G41.2Very low44.9Very low78 Ų78147.5 Ų147.580%0.80478%0.775SS**  trans-88.9159.6-172.200000113.8
168F39.7Very low44.3Very low187 Ų187147.6 Ų147.682%0.8278%0.778SS**  trans-136.199.2175.4-148.8-90.8000110.4H170F168-H170 WeakPolarHBondContact CE1-O 3.37Å
169N42.6Very low43.5Very low169 Ų169146.1 Ų146.190%0.90478%0.78SS**  trans-121.268.5174.1-87.4-39.6000109.3
170H37Very low42.8Very low141 Ų141145.1 Ų145.165%0.65379%0.789SS**  trans-157.7132.1160.4-147.4-98.7000111.6F168F168-H170 WeakPolarHBondContact CE1-O 3.37Å
171L45.2Very low41.9Very low140 Ų140139.8 Ų139.873%0.73379%0.793SS**  trans-109.8144.7158.7-169.198.4000106.7
172P51.1Low41Very low106 Ų106138.4 Ų138.469%0.68880%0.797SS**  -139128.9125.931.3-15.8000113.9
173E35.3Very low40.1Very low149 Ų149134.8 Ų134.870%0.69680%0.797SS**  trans9137143.6-151.453.8-108.500121.8
174S34.7Very low39.3Very low78 Ų78134.5 Ų134.555%0.54580%0.798SS.*  trans63143.4159.870.20000118.2
175Y37.2Very low38.4Very low219 Ų219133 Ų13386%0.85980%0.8SS**  cis-145.2175.228-88.2-87.5000113.2
176N35Very low37.7Very low159 Ų159135.4 Ų135.485%0.8581%0.805SS**  trans-67.6146.8-175.3-78.6-68000116.8
177F35.1Very low37.9Very low205 Ų205131.5 Ų131.590%0.89979%0.791SS**  trans-147.1145133.5-158.9-102.1000114.3
178Q34.2Very low38.1Very low171 Ų171133.9 Ų133.980%0.79979%0.792SS**  trans-56.6152.1-174.2-151.992.7-27.100116.7
179G30.8Very low37.9Very low66 Ų66132.1 Ų132.168%0.6879%0.791SS**  trans144.493.1141.600000120.2
180S36.2Very low37.3Very low136 Ų136127.5 Ų127.595%0.95178%0.783SS**  trans35.2137.2147.4-59.20000123.1
181G33.3Very low37.5Very low83 Ų83129.4 Ų129.486%0.85680%0.797SS**  trans-176-36.2160.900000120.5
182G34.5Very low37.1Very low86 Ų86128.3 Ų128.389%0.88780%0.801SS**  trans72.9161.4-173.800000114.7
183G34.2Very low36.5Very low71 Ų71131.1 Ų131.173%0.73281%0.809SS**  cis-177159.1-7.500000113.2
184L35.7Very low36.6Very low171 Ų171130 Ų13090%0.89581%0.808SS**  trans45.598.6157.8-53.7179000119.8
185S33.1Very low36.6Very low128 Ų128131.5 Ų131.590%0.89582%0.819SS**  169.9160.8117.747.90000113.2
186C34.8Very low36.5Very low120 Ų120124.9 Ų124.981%0.81182%0.818SS**  trans-162.2177.5-176.662.10000109.6
187P54.5Low36.7Very low99 Ų99126.2 Ų126.264%0.64382%0.823SS**  cis-115.5-154.9-3138-23.1000109.9
188P45.5Very low36.6Very low128 Ų128119.5 Ų119.583%0.83181%0.811SS**  -130.8148.9116.637.1-31.4000114.7
189N35.8Very low37.1Very low150 Ų150119 Ų11980%0.80281%0.811SS**  trans-49135.2-172.8-52.1-24.8000115.7
190G31.1Very low37.5Very low72 Ų72123.5 Ų123.574%0.74282%0.816SS**  trans-93.3154.114600000110.4
191L39.3Very low37.5Very low180 Ų180124.8 Ų124.894%0.94281%0.812SS**  trans-119.4138.2163-73.9176000108.4
192S36.9Very low37.4Very low117 Ų117123.5 Ų123.582%0.81880%0.799SS**  trans-125.3137.1-179.4-172.60000110.2
193L38.8Very low37.6Very low165 Ų165128.9 Ų128.986%0.86480%0.801SS**  trans-157.997.8166.6-157.575.6000104.4
194D38.3Very low37.7Very low126 Ų126133.3 Ų133.367%0.67481%0.806SS**  76.9147.169.4-172.6-105.5000114.1
195S35.4Very low37.8Very low109 Ų109129.9 Ų129.976%0.76280%0.803SS**  trans71.7129.1171.4-72.30000118.6
196G34.5Very low37.8Very low81 Ų81127.6 Ų127.684%0.83580%0.799SS**  trans145.990.1164.400000115.9
197I38.8Very low37.8Very low186 Ų186128.2 Ų128.295%0.95480%0.795SS**  trans-104.2138.8172.1-68.5176.5000110.7
198G33.3Very low37.2Very low64 Ų64131.7 Ų131.766%0.6680%0.804SS**  trans132.6157.516800000113.8
199M44.1Very low36.8Very low162 Ų162132.3 Ų132.380%0.79880%0.796SS**  cis-150.4132.65.5-80.1-173-82.300112.3
200M40.3Very low36.7Very low159 Ų159128.6 Ų128.678%0.78379%0.794SS**  trans18.9115.2149.246.7175.3169.600121.7
201N36Very low37Very low164 Ų164134.9 Ų134.988%0.87781%0.806SS**  -174.2147.5112.5-114.5-9000110.9
202G31.3Very low36.7Very low55 Ų55130.1 Ų130.157%0.56780%0.8SS**  cis128.284.2-7.800000114.5
203H38.8Very low36.6Very low200 Ų200132.7 Ų132.793%0.92680%0.804SS**  trans-166163.7141-118.4-85000111.4
204L34.5Very low36.4Very low163 Ų163130 Ų13085%0.85381%0.805SS**  trans-141.8171.4-160.9-155.391.6000112.5
205A38.8Very low36Very low100 Ų100127.3 Ų127.383%0.82681%0.808SS**  trans79.1149.6168.200000117.2
206G33.5Very low36.2Very low79 Ų79131.7 Ų131.781%0.81482%0.816SS**  cis-1641492.400000116.9
207N34.8Very low36.2Very low134 Ų134133.5 Ų133.572%0.71782%0.816SS**  trans-46.5146.5173.4-177.386.4000118.3E209N207-E209 PolarHBondContact ND2-OE1 3.01Å
208M42.2Very low36Very low171 Ų171133.6 Ų133.684%0.84281%0.814SS**  trans-159.3146.6144-174.7169.5167.500111.2
209E37.2Very low35.8Very low141 Ų141136.1 Ų136.166%0.65982%0.822SS**  trans-87.7162.2-176.6-53.976.8-169.400113.1N207N207-E209 PolarHBondContact ND2-OE1 3.01Å
210G32.4Very low35.5Very low73 Ų73136.3 Ų136.375%0.75382%0.821SS**  cis163.9176.7-7.800000113.9
211M37.2Very low35.6Very low203 Ų203136.3 Ų136.3100%182%0.823SS**  trans68.1113.9161.1-147.2168.7-6600119.7
212G32.7Very low35.4Very low80 Ų80133.6 Ų133.683%0.82582%0.817SS**  trans-178.388.8176.400000114.4
213L35.3Very low35.7Very low171 Ų171135.1 Ų135.190%0.89582%0.824SS**  trans-40.9147.6-170.9-64.4167.2000120.2
214A34Very low35.6Very low108 Ų108132.6 Ų132.689%0.89382%0.817SS**  trans66.5130146.500000120.8
215G31.1Very low35.7Very low70 Ų70130 Ų13072%0.72281%0.813SS**  trans155.694.3169.800000113.2
216H38.9Very low35.5Very low201 Ų201129 Ų12993%0.93181%0.812SS**  trans-79133.1177.4-45.3-80.7000110.9
217S34.8Very low35.8Very low120 Ų120134 Ų13484%0.83981%0.814SS**  trans-144131.7165.555.80000111.7
218M34Very low35.9Very low187 Ų187133.4 Ų133.492%0.92182%0.82SS**  trans-123.9139.8170.1-103.5-71.3-174.100107.6H220M218-H220 PolarHBondContact O-N 3.37Å
219S30.6Very low35.6Very low118 Ų118134.8 Ų134.883%0.82582%0.817SS**PPolyproline II helixtrans-69.5122.2-172.4-56.10000112.2
220H36.6Very low35.7Very low166 Ų166135.6 Ų135.677%0.76982%0.823SS**PPolyproline II helixtrans-102.3116.6-179.7179.2-98.9000111.7M218M218-H220 PolarHBondContact O-N 3.37Å
221L43.6Very low35.8Very low158 Ų158135.7 Ų135.783%0.82782%0.824SS**PPolyproline II helixtrans-85.2137.7161.9-7476.3000108.9
222S30.6Very low35.9Very low108 Ų108131.5 Ų131.576%0.75582%0.815SS**  trans-156.8175.3152.2-160.10000111.7
223A38.2Very low36Very low87 Ų87134 Ų13472%0.71982%0.818SS**  trans-118.2159-157.700000115.1
224N36.1Very low36.1Very low146 Ų146132.7 Ų132.778%0.78182%0.817SS**  trans19.9117139.517957.6000119.5
225S37.4Very low36.1Very low110 Ų110130.7 Ų130.777%0.76981%0.807SS**  164.1150.1124.3-73.70000112.8
226G34.2Very low36.4Very low77 Ų77132.8 Ų132.879%0.79481%0.811SS**  trans125.2123.5155.900000117.1
227H40.3Very low36.3Very low186 Ų186130.1 Ų130.186%0.86181%0.809SS**  trans-91.4159.9179.7-56.7-107.8000113.1
228S35.7Very low36.2Very low120 Ų120128.1 Ų128.184%0.83981%0.807SS**  172.4160.9116.8-78.40000116
229Y37.5Very low36.1Very low201 Ų201122.7 Ų122.779%0.78880%0.799SS**  trans84.598.2149.2-179.9-95.7000122.1
230M39Very low36.1Very low157 Ų157126.4 Ų126.477%0.77380%0.803SS**  trans59.8141.4132.6-58.3-165.979.800125.5
231G34.4Very low36.1Very low75 Ų75129.4 Ų129.477%0.77381%0.809SS**  trans166118.8160.600000112.2
232S39.1Very low36.6Very low116 Ų116127.1 Ų127.181%0.81180%0.804SS**  trans-131.8141.6-170.6-52.80000114
233C34.5Very low37Very low132 Ų132129 Ų12989%0.89280%0.8SS**  trans-160.1156.8151.151.70000114.4
234T37.8Very low37Very low143 Ų143133.4 Ų133.488%0.87781%0.806SS**  trans-72.4170.1-177.147.80000114.7
235G34.7Very low36.9Very low66 Ų66132.4 Ų132.468%0.6880%0.8SS**  cis155.9-176.72.400000112.1
236S36.1Very low36.8Very low115 Ų115134.1 Ų134.180%0.80480%0.801SS**  trans78.1110.6175.2-53.10000116.7
237T37Very low37Very low145 Ų145135.4 Ų135.489%0.8980%0.798SS**  76.4136.268.263.40000115.2
238G33.3Very low36.6Very low77 Ų77130.2 Ų130.279%0.79480%0.795SS**  cis171.2173.8-2.400000113.2
239G31.4Very low36.9Very low73 Ų73130.3 Ų130.375%0.75380%0.795SS**  trans79161.2176.200000116.2
240E31.4Very low37.5Very low196 Ų196126.5 Ų126.592%0.91680%0.795SS**  cis-159.9172.3-22.4-135.4164.6125.100110.1
241Y36.5Very low37.3Very low229 Ų229126 Ų12690%0.89880%0.795SS**  trans-86.6178.9-175.7-73.2-85.3000112.8
242P52.6Low37.5Very low110 Ų110129.8 Ų129.871%0.71480%0.797SS**  cis-142.4-177.78.946.1-27.6000118.4
243H40.5Very low37.2Very low147 Ų147130.5 Ų130.568%0.68180%0.796SS**  trans43.7129.2148.1-119.1-84000123D245H243-D245 IonicContact CE1-OD2 3.37Å; H243-D245 PolarHBondContact CE1-OD2 3.26Å; H243-D245 IonicContact ND1-OD2 3.53Å
244H38Very low37.3Very low181 Ų181129.8 Ų129.884%0.83879%0.793SS**  -175.2158.2112.5-106.8-73.3000114.2
245D33.2Very low37Very low124 Ų124127 Ų12766%0.66379%0.792SS**  trans-95.3168.1-174.3-58.2-100.8000115.3H243H243-D245 IonicContact CE1-OD2 3.37Å; H243-D245 PolarHBondContact CE1-OD2 3.26Å; H243-D245 IonicContact ND1-OD2 3.53Å
246N35.5Very low36.9Very low146 Ų146127.5 Ų127.578%0.78180%0.798SS**  trans91.9124.1140.9-160.241.2000121.2
247S39.2Very low37.1Very low104 Ų104128.3 Ų128.373%0.72780%0.797SS**  trans26.1136.7151.972.70000123.1
248G32.2Very low37.2Very low77 Ų77130.1 Ų130.179%0.79480%0.798SS**  trans143.9111.8135.700000117.2
249S41.3Very low37.4Very low122 Ų122133.5 Ų133.585%0.85379%0.793SS**  trans-85.7148.5150.3-48.70000108.3
250P49.3Very low38.2Very low121 Ų121134.9 Ų134.979%0.78679%0.789SS**  -15115191.338.2-20.5000117.8
251L35.6Very low38.4Very low146 Ų146133 Ų13376%0.76478%0.78SS**  trans18.1126.9140.5-62.2174.9000122.7
252L37.8Very low38.8Very low156 Ų156128 Ų12882%0.81778%0.775SS**  trans67130131.6-58.9170.4000121.3
253T33.6Very low37.8Very low131 Ų131129.3 Ų129.380%0.80478%0.781SS**  178.5168.698.4-164.80000113.5
254S35.8Very low37.5Very low117 Ų117132.1 Ų132.182%0.81879%0.787SS**  trans66.6143.8177.474.60000117.4
255G31.4Very low37.2Very low84 Ų84127.8 Ų127.887%0.86678%0.777SS**  cis175.9142.5-9.800000112.5
256G33.5Very low37.2Very low77 Ų77127.7 Ų127.779%0.79479%0.786SS**  trans176.8142.5178.900000111.5
257V39.5Very low37.4Very low131 Ų131125.5 Ų125.579%0.79478%0.782SS**  trans-131.7132.3-167.3-177.50000109.9
258M40.3Very low37.1Very low183 Ų183125.6 Ų125.690%0.90179%0.789SS**  166.4136.112856.8-149.8148.600114.6
259E37.2Very low37.4Very low148 Ų148132.9 Ų132.969%0.69279%0.793SS**  trans-60.9158168.5-160.545.4-139.200109.9H261E259-H261 PolarHBondContact OE1-N 3.32Å; E259-H261 IonicContact OE1-ND1 3.14Å
260P48.1Very low37.1Very low102 Ų102132 Ų13266%0.66279%0.793SS**  cis-151.5162.344.242.7-21.2000122
261H35.2Very low36.5Very low157 Ų157135.5 Ų135.573%0.72780%0.799SS**  trans54.5116.5145.1-63-28.8000121E259E259-H261 PolarHBondContact OE1-N 3.32Å; E259-H261 IonicContact OE1-ND1 3.14Å
262P45.5Very low36.4Very low124 Ų124133.2 Ų133.281%0.80580%0.801SS**  trans-97.2144.3169.336.4-31.8000114.1
263V32Very low37.1Very low137 Ų137132 Ų13283%0.8380%0.803SS**  trans-138.2142.4167.2-177.50000110.4
264Y33.3Very low37.1Very low207 Ų207131.8 Ų131.881%0.81281%0.807SS**  trans80.190.2167-124.6-99.4000121.3
265S32.1Very low37Very low90 Ų90131.5 Ų131.563%0.62980%0.804SS**  31.5113.8121.6-520000121.6
266S33.1Very low37.1Very low121 Ų121132.3 Ų132.385%0.84680%0.797SS**  168.5154.3124.846.20000111.3
267S38.9Very low37.2Very low100 Ų100135.8 Ų135.870%0.69980%0.796SS**  cis-157.5128.9-27.851.20000108.4
268A34Very low37.1Very low106 Ų106136.1 Ų136.188%0.87679%0.794SS**  trans-117.2123.7-176.300000111.2
269W38.1Very low36.9Very low231 Ų231134.5 Ų134.588%0.87579%0.789SS**  trans-114.7100.1-175.435.1-75.6000111.3
270A35.5Very low36.6Very low104 Ų104130.6 Ų130.686%0.8679%0.788SS**  trans-111.2138.916800000109.5
271Q35Very low36Very low193 Ų193129.1 Ų129.190%0.90279%0.792SS**  trans-116.8123.7180-65.9-175.57.900111.6
272A34.2Very low36.1Very low99 Ų99127.1 Ų127.182%0.81880%0.796SS**  trans-151.6146.2157.700000108.4
273P52Low35.7Very low130 Ų130132.6 Ų132.684%0.84480%0.802SS**  trans-97.4159.8-16337.2-36.6000114.8
274S34Very low36.2Very low127 Ų127133.3 Ų133.389%0.88880%0.8SS**  trans-140.6162.9161590000110.4
275S34.2Very low36.4Very low110 Ų110133.4 Ų133.477%0.76980%0.804SS**  trans-120.2156.5-169.351.40000112.6
276S33.3Very low36.7Very low101 Ų101136.9 Ų136.971%0.70681%0.81SS**  155.3149.7121.859.20000115.2
277L34.8Very low37.2Very low150 Ų150138.6 Ų138.679%0.78581%0.805SS**  trans60.2118.3151.7-64.1158.7000119.6
278N37.3Very low37.7Very low138 Ų138138.1 Ų138.174%0.73880%0.799SS**  98.7146.973.9-143.118.4000110.6
279N36.3Very low37.9Very low149 Ų149140.6 Ų140.680%0.79780%0.797SS**  cis-157.5168.518.5-174.222.2000112.6
280G31.3Very low38Very low66 Ų66134.3 Ų134.368%0.6879%0.789SS**  trans121.4129.5172.300000112.1
281G35.5Very low39.1Very low72 Ų72135.2 Ų135.274%0.74279%0.786SS**  cis115.6127.216.400000109.4
282S36.7Very low38.9Very low115 Ų115132.4 Ų132.480%0.80479%0.786SS**  cis-164.4148.63.9-60.50000110.2
283Y37.2Very low39.1Very low238 Ų238135.1 Ų135.193%0.93379%0.786SS**  trans-167.2165.9138.559.6-99.6000114.8
284I42.2Very low39.3Very low153 Ų153134.6 Ų134.679%0.78578%0.783SS**  trans-96.8141.9-154.5-70.7143.2000114.2
285K38.1Very low39.2Very low209 Ų209132.2 Ų132.291%0.90978%0.779SS**  -157.2148.3125.4-148.9164-179.2177.10115.1
286Q38.6Very low39.3Very low163 Ų163132 Ų13276%0.76278%0.784SS**  trans-86.1173.1-179.4-86179.34.600112.6
287Q42.9Very low39.5Very low157 Ų157134.6 Ų134.673%0.73479%0.79SS**  cis-159.1-161.79.4-116.9-69.837.600108.7
288P51.4Low40.6Very low89 Ų89132.3 Ų132.358%0.57878%0.784SS**  trans-125.3-179.1-130.149.3-36.6000119.9
289L36.4Very low40.4Very low159 Ų159133.6 Ų133.683%0.83279%0.79SS**  trans23.5149.3136.1-54.4165.5000121.3
290S40.7Very low40.6Very low99 Ų99134.5 Ų134.569%0.69279%0.789SS**  cis-156-116.7-14.8-84.30000113.3
291P58.7Low41.6Very low123 Ų123136.6 Ų136.680%0.79979%0.791SS**  trans-130.5153.3-135.939.4-19000118.7
292C31.3Very low41.5Very low134 Ų134138.4 Ų138.491%0.90579%0.792SS**  trans-159.4148.5160.459.50000116.4
293N37.5Very low41.8Very low155 Ų155140.7 Ų140.783%0.82980%0.795SS**  trans-164.2164.6164.7-152.429.3000104.8
294P56.8Low42.7Very low119 Ų119134.6 Ų134.677%0.77378%0.784SS**  cis-129-172.32.443.2-26.3000114.5
295G32.3Very low42.4Very low78 Ų78132.4 Ų132.480%0.80478%0.778SS**  trans-166.7141.5171.900000114.3
296A35Very low42.2Very low105 Ų105130.8 Ų130.887%0.86877%0.773SS**  trans-81.9164.1-164.300000117.7
297N38.3Very low42Very low156 Ų156127 Ų12783%0.83476%0.764SS**  trans-68178.8160.5-104.8-46.3000112.2
298P57.2Low41.9Very low102 Ų102127.6 Ų127.666%0.66277%0.772SS**  cis-131.6-177.1-5.238.6-21.2000114.6
299L34.9Very low41.2Very low165 Ų165128.8 Ų128.886%0.86477%0.774SS**  179.6152.9121.9-96.3166.5000114.4
300Q39.1Very low41.2Very low167 Ų167127.4 Ų127.478%0.7876%0.763SS**  trans-110.9177.5168-88.6-93.6-39.200107.6
301P52.1Low40.9Very low110 Ų110131.7 Ų131.771%0.71477%0.765SS**  cis-144.8-178.621.544-25000117.2
302S33.5Very low39.6Very low110 Ų110131 Ų13177%0.76976%0.755SS**  172.2152124.742.80000114.6
303L44.1Very low39.7Very low164 Ų164131.2 Ų131.286%0.85975%0.746SS**  trans-133.8-171.5177.7-84.9176.2000107.3
304P55.2Low39.7Very low110 Ų110131.2 Ų131.271%0.71474%0.741SS**  cis-120-140.61.922.94.8000111.9
305T35.5Very low38.6Very low107 Ų107132.2 Ų132.266%0.65674%0.735SS**  cis-164.5172.713.1-28.70000112.3
306H33.8Very low38.6Very low174 Ų174135.3 Ų135.381%0.80673%0.734SS**  trans77.6144.1162.5-76.4-87000120.3
307S35.3Very low38.4Very low83 Ų83133.9 Ų133.958%0.5873%0.729SS**  cis-173.2140.4-34.6-168.40000110.7
308L41.3Very low38.3Very low171 Ų171135.9 Ų135.990%0.89573%0.733SS**  -163.1141.7127.5-150.572.6000112.9
309D37.2Very low37.1Very low114 Ų114136.6 Ų136.661%0.6174%0.74SS**  trans-76.7175.2173.6-76.8-78.8000114.3
310Q36.3Very low37.1Very low130 Ų130135.8 Ų135.861%0.60774%0.737SS**  cis-178.8-173.1-25.8-169.7-175.1110.300107.3
311Y32.5Very low36.8Very low188 Ų188133.4 Ų133.474%0.73773%0.734SS**  trans88.2111.2171.6-74.6-104.9000115.9
312N31.4Very low36Very low108 Ų108134.9 Ų134.958%0.57874%0.736SS**  84.8139.360.9-72.2-37.9000111.5
313L35.3Very low36.3Very low139 Ų139136 Ų13673%0.72873%0.733SS**  cis-154.5165.512.1-154.169.7000112.9
314H37Very low35.9Very low155 Ų155137.1 Ų137.172%0.71873%0.733SS**  trans-23164.5152.7-59.5104000119
315Q34.3Very low34.9Very low140 Ų140135.7 Ų135.765%0.65474%0.739SS**  cis-170.41683.7-113.7-81.651.500112.1
316N30.7Very low35Very low144 Ų144138.7 Ų138.777%0.7775%0.749SS**  trans38.3146.9150.1-81.5-22000124.8
317G32.3Very low35.6Very low75 Ų75135.9 Ų135.977%0.77375%0.746SS**  trans153.6119.6147.700000117.9
318H36.2Very low35.5Very low197 Ų197142.3 Ų142.391%0.91276%0.757SS**  trans-76.3165.1166.8-51.7-67000110.7
319S31.7Very low35.2Very low118 Ų118144.4 Ų144.483%0.82576%0.755SS**  cis-166.7-170.537.157.10000113.2
320N33.6Very low35.3Very low147 Ų147146.4 Ų146.479%0.78676%0.76SS**  trans-61.3167.2167.3-73.9-48.4000112.5
321T34.6Very low35.1Very low118 Ų118145 Ų14572%0.72477%0.765SS**  cis-156.5162.829.4-33.30000114
322D34.5Very low35.1Very low140 Ų140145 Ų14575%0.74977%0.771SS**  trans96153142.2-105.3-51.6000124.7
323L39Very low35.3Very low135 Ų135145.3 Ų145.371%0.70778%0.783SS**  trans65.6101.2169-96.266.8000123.2
324Q36.9Very low35.6Very low187 Ų187144.2 Ų144.287%0.87478%0.784SS**  59118129-63.7179.3100122.1
325G33.3Very low35.7Very low80 Ų80142.4 Ų142.483%0.82579%0.788SS**  trans176.974.9166.900000116.8
326I37.4Very low35.9Very low170 Ų170143.9 Ų143.987%0.87280%0.797SS**  trans18.9134160.6-64.4-179.1000120.2
327P46.4Very low36.2Very low114 Ų114142.9 Ų142.974%0.7480%0.8SS**PPolyproline II helixtrans-90.4166.3-156.136.9-39.8000118.3
328R34.5Very low36.5Very low218 Ų218146 Ų14682%0.82380%0.799SS**PPolyproline II helixtrans-50.2149.7163.2-82.4-178.7163.4118-6.4113.1
329Y34.6Very low36.6Very low216 Ų216148.1 Ų148.185%0.84780%0.799SS**PPolyproline II helixtrans-90.8137.4146.3-89.2-89.3000111.6
330H39.8Very low36.9Very low156 Ų156150.3 Ų150.372%0.72279%0.794SS**  trans-147.7113.3171.6-118.455.3000107.7
331S30.7Very low37.2Very low101 Ų101149.8 Ų149.871%0.70679%0.787SS**  trans-149.9107.3177.5-48.30000105.4
332Q32.6Very low37.2Very low186 Ų186153.5 Ų153.587%0.86979%0.793SS**  50.7121.151.3-69.5-160.34.900113.3
333S35.3Very low37.5Very low116 Ų116152.5 Ų152.581%0.81179%0.792SS**PPolyproline II helixtrans-100.6142.6-17440.20000111.4
334P42.8Very low37.6Very low116 Ų116155 Ų15575%0.75380%0.797SS**PPolyproline II helixtrans-84.1130.8-179.332.1-33.3000112.1
335S39.3Very low37.3Very low116 Ų116151.2 Ų151.281%0.81179%0.792SS**PPolyproline II helixtrans-84134.5158.751.40000109.6
336M37.6Very low37.5Very low172 Ų172157.1 Ų157.185%0.84780%0.795SS**  trans-132.2116.2176.8-67-70.6-97.400109.5
337C37.3Very low37.3Very low123 Ų123156.6 Ų156.683%0.83179%0.794SS**  trans-111.2158.4164.3-71.40000109.2
338D38.1Very low36.7Very low140 Ų140155.3 Ų155.375%0.74979%0.793SS**  trans57.395170.1-96-77.3000118.9
339R38.8Very low36.7Very low242 Ų242153.5 Ų153.591%0.91380%0.796SS**  -146.2141.2120.1-144.9144-63.9-177.71.6114.8
340K37.1Very low36.7Very low164 Ų164148.9 Ų148.971%0.71379%0.791SS**  trans-55.8170.2173.2-87.5-179.6164-174.90116.3
341E40.5Very low36.5Very low136 Ų136146.4 Ų146.464%0.63679%0.791SS**  trans56.898.3160.2-55-28.612100118.3
342F33.9Very low36.6Very low196 Ų196146.7 Ų146.786%0.8679%0.792SS**  trans-14384143.2-88.2-68000110.7F344F342-F344 HydrophobicContact CD1-CD2 4.28Å
343V42.4Very low36.7Very low119 Ų119142.7 Ų142.772%0.72178%0.781SS**  trans-93121155.2178.50000107.3
344F39.6Very low36.9Very low186 Ų186145.6 Ų145.682%0.81678%0.784SS**  trans-132.9118.7164-104-81.3000110.9F342F342-F344 HydrophobicContact CD1-CD2 4.28Å
345S32.1Very low36.5Very low109 Ų109147.4 Ų147.476%0.76278%0.782SS**  trans-71.5141.3177.5-54.90000110.8
346F36Very low36.3Very low203 Ų203146.2 Ų146.289%0.8977%0.774SS**  trans-105.2103.3172.8-163.5-85.7000110
347N34.5Very low36.9Very low160 Ų160143.8 Ų143.886%0.85677%0.771SS**  trans-167.7158.7164.6-111.1-30000112.7
348A33.4Very low36.7Very low86 Ų86142.5 Ų142.571%0.71176%0.763SS**  trans69.9101.3171.600000118.9
349M35Very low36.6Very low180 Ų180142.1 Ų142.189%0.88777%0.771SS**  172.5113125-91.1-176.6-64.500106.1
350T34Very low36.3Very low120 Ų120135 Ų13574%0.73676%0.759SS**  cis97.7123.533.2-152.90000114
351S34.5Very low36.2Very low104 Ų104133 Ų13373%0.72777%0.766SS**  trans68.6149.3167.6-39.30000115.9
352S33.2Very low36Very low106 Ų106136.1 Ų136.174%0.74177%0.773SS**  cis-1451349.2-58.70000113.7
353T35.5Very low36.3Very low102 Ų102138.2 Ų138.263%0.62678%0.777SS**  24.6126.9127.5-47.10000121.5
354M39.1Very low36.1Very low177 Ų177140.6 Ų140.687%0.87278%0.78SS**  -159.7170124.3-96.6-44.9157.700112.7
355H35.2Very low36Very low154 Ų154138.4 Ų138.471%0.71377%0.772SS**  trans-129.6169.3-162.2-73.8-79000111.6
356S35.2Very low36Very low92 Ų92140.3 Ų140.364%0.64377%0.769SS**  cis176.3179.6-20.5-83.10000106.1
357P50Low36.1Very low120 Ų120137.7 Ų137.778%0.77976%0.759SS**  cis-117.1-123.3-5.627-0.8000109.2
358S32.4Very low36.3Very low96 Ų96136 Ų13667%0.67175%0.754SS**  cis-168.3130-1130.70000111.3
359S35.3Very low36.6Very low132 Ų132136.2 Ų136.292%0.92376%0.756SS**  trans-175.5148.3139.3-87.70000112.3
360S32.7Very low36.8Very low94 Ų94138.7 Ų138.766%0.65776%0.757SS**  trans-85.4143.9-168.8-176.30000114.1
361S35.1Very low37Very low122 Ų122141 Ų14185%0.85376%0.759SS**  trans-158.3128.7138.3-820000110.8
362Y36.3Very low37.5Very low201 Ų201142.1 Ų142.179%0.78876%0.757SS**  trans-82.4149171.4-76.4-111.6000110.1
363Y40.8Very low38.2Very low240 Ų240144.4 Ų144.494%0.94176%0.76SS**  -163.3163.3116.3-101.3-64.5000110.8
364H38.4Very low38.8Very low169 Ų169147.5 Ų147.578%0.78276%0.764SS**  trans-92.5141.5-154-147.4-80.8000113.8
365H36.5Very low39.6Very low140 Ų140145 Ų14565%0.64876%0.761SS**  trans-81.8135.2166.9-177.148.4000109.6Q367H365-Q367 WeakPolarHBondContact NE2-CG 3.37Å; H365-Q367 PolarHBondContact NE2-NE2 3.37Å
366Q33.9Very low40.1Very low149 Ų149143.7 Ų143.770%0.69677%0.768SS**  trans-135.5112.2170.2-175.562.662.900109.2V368Q366-V368 HydrophobicContact CG-CG2 4.28Å
367Q37Very low40.8Very low148 Ų148145.9 Ų145.969%0.69278%0.778SS**  trans-81143.8166.2-62.4-178.7-4.800109H365H365-Q367 WeakPolarHBondContact NE2-CG 3.37Å; H365-Q367 PolarHBondContact NE2-NE2 3.37Å
368V39.2Very low41Very low124 Ų124152.4 Ų152.475%0.75280%0.8SS**  trans-133.4130.2166.5-1760000107.1Q366Q366-V368 HydrophobicContact CG-CG2 4.28Å
369A39.8Very low41.4Very low90 Ų90155.2 Ų155.274%0.74481%0.807SS**  trans-76.4141.8-179.600000111.1
370Y39.1Very low41.7Very low233 Ų233156.4 Ų156.491%0.91480%0.801SS**  trans-72.8132.6163.7-88.9-98.7000109.6
371Q38.3Very low42.2Very low167 Ų167159.9 Ų159.978%0.7881%0.809SS**  trans-112.9148168-84.9-73.722.600110.4
372D43.6Very low42.6Very low128 Ų128162.1 Ų162.168%0.68481%0.806SS**  trans-74.3122.1-179.5-174.4-23.2000110.4
373I49.3Very low43Very low155 Ų155159.7 Ų159.780%0.79581%0.807SS**  trans-128.6109.5173.4-58.8179.5000108.2
374K47.3Very low43.2Very low166 Ų166154.3 Ų154.372%0.72280%0.798SS**PPolyproline II helixtrans-72.8141.4177.1-62.3170.5-175171.50110.3C376K374-C376 PolarHBondContact O-N 2.76Å
375P56.7Low43.5Very low125 Ų125153.3 Ų153.381%0.81280%0.8SS**PPolyproline II helixtrans-71.3119.917628.8-33.3000110.7
376C45.9Very low44.1Very low127 Ų127154.3 Ų154.386%0.85881%0.811SS**PPolyproline II helixtrans-75.5141.2163.2-70.20000109.9K374K374-C376 PolarHBondContact O-N 2.76Å
377V49.7Very low44.9Very low138 Ų138154.8 Ų154.884%0.83682%0.821SS**PPolyproline II helixtrans-87.1139.7174.7178.30000109.8
378M53.2Low45.6Very low256 Ų256155.4 Ų155.4100%1.26183%0.833SS**  trans-135.80154.2-70.3-171.5-179.500107.9

Retrieved 378 of 378 residues in 181.9 ms (Link to these results)