A0A060WQE4_ONCMY Loading...

Forkhead box F1

AlphaFold DB , UniProt , Accession A0A060WQE4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, 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
1M44.8Very low50.1Low234 Ų234149.1 Ų149.1100%1.15384%0.843SS**  084.10-63.2166.1177.100105.9
2T41.5Very low49.8Very low140 Ų140148.1 Ų148.186%0.85984%0.842SS**  71.9146.571.155.30000114.9
3A48.6Very low49.6Very low94 Ų94146.5 Ų146.578%0.77784%0.842SS**  trans73.3106.1-16200000112.4
4E40.4Very low49Very low169 Ų169143.5 Ų143.579%0.7984%0.843SS**  cis62.1107.723.9-159178.7120.900114.3
5V53.9Low48.3Very low145 Ų145146.6 Ų146.688%0.87985%0.846SS**  trans-128.5109.8168.7172.70000107.3
6Q53.1Low48.1Very low160 Ų160144.9 Ų144.975%0.74885%0.845SS**PPolyproline II helixtrans-88.4137.8-174.7-168.671.20.400111.2
7Q58.1Low48.1Very low173 Ų173143.2 Ų143.281%0.80884%0.843SS**PPolyproline II helixtrans-99139177.7-160.4171.140.900110.6
8P62Low48.3Very low113 Ų113142.6 Ų142.673%0.73484%0.844SS**PPolyproline II helixtrans-82.4149.2-175.331.9-35.1000113.3
9P55.5Low47.7Very low119 Ų119144.6 Ų144.677%0.77385%0.847SS**PPolyproline II helixtrans-85.5143.9-179.433.8-34.7000113.4
10A46.9Very low47.2Very low106 Ų106143.5 Ų143.588%0.87685%0.847SS**PPolyproline II helixtrans-79.6136.8169.200000111.2
11Q46Very low46.8Very low187 Ų187141.5 Ų141.587%0.87484%0.84SS**PPolyproline II helixtrans-100133178-63.1-179.518.900111.4
12T46.5Very low46.9Very low137 Ų137136.5 Ų136.584%0.8483%0.826SS**PPolyproline II helixtrans-88.4144.2164.635.30000110.9
13P48Very low46.5Very low128 Ų128139.2 Ų139.283%0.83183%0.828SS**  trans-104.4142.8152.3-2.122.4000110.9
14A40.4Very low46.1Very low104 Ų104143.3 Ų143.386%0.8683%0.829SS**  trans-92172.8-175.200000113.7
15Q38.2Very low46.4Very low190 Ų190141.2 Ų141.289%0.88883%0.83SS**  trans-64.2149.4173.9-58.4162.2-21.800112.7
16S45.8Very low45.5Very low119 Ų119143 Ų14383%0.83283%0.828SS**  trans-154.7107.8146.654.10000111.7
17S47.9Very low44.7Very low117 Ų117138.7 Ų138.782%0.81883%0.827SS**PPolyproline II helixtrans-85.2141.1168.8-55.30000110.1
18P52.6Low43.6Very low131 Ų131140.2 Ų140.285%0.85183%0.834SS**PPolyproline II helixtrans-77.8149.817231.4-32.9000112.2
19M35.9Very low42.2Very low182 Ų182140.3 Ų140.390%0.89783%0.832SS**PPolyproline II helixtrans-87.8145.4-176.7-178.7170.760.600110.6
20S38.8Very low41.4Very low122 Ų122141.6 Ų141.685%0.85384%0.838SS**  trans-145.2130.4166.6-158.70000112
21S37.3Very low41Very low101 Ų101142 Ų14271%0.70683%0.83SS**PPolyproline II helixtrans-93.3161.4179.9-64.60000111.5
22P47.1Very low40.9Very low130 Ų130142.3 Ų142.384%0.84483%0.834SS**PPolyproline II helixtrans-90.6139.3-177.234.3-33.4000113.5
23E34.4Very low40.5Very low196 Ų196144 Ų14492%0.91683%0.832SS**PPolyproline II helixtrans-92.6159.8168.3-73.4-162.497.300113.1
24K39.6Very low39.8Very low180 Ų180143.1 Ų143.178%0.78382%0.824SS**PPolyproline II helixtrans-93.2166.3167.7-65.1178178.21770110
25P45.4Very low39.8Very low126 Ų126142.9 Ų142.982%0.81882%0.823SS**  -141.2168112.830.3-13.4000115.8
26H36.8Very low39.7Very low182 Ų182139.2 Ų139.284%0.84382%0.818SS**  trans-75.3164.5164-59.871.5000108.9
27G34.7Very low39.2Very low70 Ų70138.6 Ų138.672%0.72281%0.814SS**  cis139.5132.93.300000109.9
28Q35.7Very low39Very low204 Ų204139.8 Ų139.895%0.95382%0.816SS**  trans-157.6163.4165.2-124.7-18044.900113.6
29T33.1Very low38.5Very low115 Ų115138.9 Ų138.971%0.70681%0.808SS**  trans-103.5142.2-156.8-54.40000113V31T29-V31 HydrophobicContact CG2-CG1 4.08Å
30T37.3Very low38.8Very low146 Ų146140 Ų14090%0.89681%0.808SS**  trans-136.7131.1145.3-49.30000109.5
31V40.2Very low38.9Very low116 Ų116140.4 Ų140.470%0.70381%0.806SS**  trans-93.5143.7-178.4-760000111.5T29T29-V31 HydrophobicContact CG2-CG1 4.08Å
32M42.6Very low39.3Very low193 Ų193144.3 Ų144.395%0.95181%0.81SS**  trans-163.7107.3144.8-106.7166.8-159.700110.4
33E38.2Very low39.3Very low172 Ų172148 Ų14880%0.80481%0.812SS**  trans-73162.4155.9-138.4-169.5100.200107.5
34T34.3Very low40Very low109 Ų109142.9 Ų142.967%0.66980%0.795SS**  cis-161.7142.628.2-56.10000109.6
35A39.8Very low40.4Very low100 Ų100141.7 Ų141.783%0.82680%0.797SS**  trans-172.9100.2145.700000111.2
36S36.2Very low40.6Very low113 Ų113139.5 Ų139.579%0.7979%0.79SS**  trans-68.9133.8177.1520000113.5
37S36Very low41.2Very low106 Ų106133 Ų13374%0.74177%0.772SS**  trans-133.5109.5151.159.30000110.9T39S37-T39 PolarHBondContact O-N 3.13Å
38T43.9Very low42.5Very low142 Ų142137 Ų13787%0.87178%0.775SS**  trans-76.880.6-176.638.90000111.6
39T40.4Very low44Very low112 Ų112137.4 Ų137.469%0.68777%0.768SS**  trans-83.2118.1161.556.20000109.3S37 T41S37-T39 PolarHBondContact O-N 3.13Å; T39-T41 VanDerWaalsContact C-N 3.3Å; T39-T41 PolarHBondContact O-N 3.26Å
40K44Very low45.7Very low206 Ų206143 Ų14390%0.89678%0.776SS**  trans-6491.5174.6-69.5178.5-179.4176.10108.6K42K40-K42 PolarHBondContact O-N 3.43Å
41T40.8Very low47.9Very low130 Ų130139.1 Ų139.180%0.79875%0.753SS**  trans-65.588.7170.619.70000107.8T39 K43T39-T41 VanDerWaalsContact C-N 3.3Å; T39-T41 PolarHBondContact O-N 3.26Å; T41-K43 PolarHBondContact O-N 3.25Å
42K44.3Very low50.1Low182 Ų182142 Ų14279%0.79176%0.759SS**  trans-57.596.3165.5-172.8175.8-173.7172.90105.6K40 T44K40-K42 PolarHBondContact O-N 3.43Å; K42-T44 HydrophobicContact CD-CG2 4.28Å; K42-T44 HydrophobicContact CG-CG2 4.02Å; K42-T44 PolarHBondContact O-N 3.25Å
43K48.1Very low52.3Low207 Ų207138.3 Ų138.390%0.974%0.738SS**  trans-67.169.9176.7-167174.2-174.8176.10107.5T41 N45T41-K43 PolarHBondContact O-N 3.25Å; K43-N45 PolarHBondContact O-N 3.28Å
44T48.9Very low54.8Low90 Ų90130.8 Ų130.855%0.55270%0.704SS**  trans-59.3116.4174.652.40000105.4K42 A46K42-T44 HydrophobicContact CD-CG2 4.28Å; K42-T44 HydrophobicContact CG-CG2 4.02Å; K42-T44 PolarHBondContact O-N 3.25Å; T44-A46 PolarHBondContact O-N 2.78Å
45N48.2Very low57.6Low154 Ų154130.3 Ų130.382%0.82470%0.703SS**  trans-59.893177.3-173.1-4.8000107.6K43 G47K43-N45 PolarHBondContact O-N 3.28Å; N45-G47 PolarHBondContact O-N 3.41Å; N45-G47 PolarHBondContact OD1-N 3.07Å
46A48.8Very low60.1Low81 Ų81129 Ų12967%0.66968%0.677SS**  trans-77.840.4176.600000110T44 I48T44-A46 PolarHBondContact O-N 2.78Å; A46-I48 PolarHBondContact O-N 3.03Å
47G49.9Very low62.9Low44 Ų44125.1 Ų125.145%0.45465%0.65SS.*  trans-57.3108168.500000108.1N45 R49N45-G47 PolarHBondContact O-N 3.41Å; N45-G47 PolarHBondContact OD1-N 3.07Å; G47-R49 PolarHBondContact O-N 3.21Å
48I62.6Low65.8Low156 Ų156122.3 Ų122.380%0.862%0.623SS**  trans15.378.8171.4-56.878.6000111.6A46 R50A46-I48 PolarHBondContact O-N 3.03Å; I48-R50 PolarHBondContact O-N 3.45Å
49R65.9Low68.3Low212 Ų212117.3 Ų117.380%0.859%0.591SS**  trans-55.8111.1173.7-73.9-108.8-174.4145.13.4106.8G47G47-R49 PolarHBondContact O-N 3.21Å
50R70.1Confident71Confident233 Ų233112 Ų11288%0.87956%0.559SS**PPolyproline II helixtrans-51.3130.5177.9-67.9-170-175.298.2-0.7107.6I48 E52I48-R50 PolarHBondContact O-N 3.45Å; R50-E52 PolarHBondContact O-N 3.15Å
51P82.3Confident73.5Confident64 Ų64102.4 Ų102.442%0.41652%0.517SS..PPolyproline II helixtrans-55.6137.7-175.8-2330.8000110.4P88 F89P51-P88 HydrophobicContact CB-CB 4.04Å; P51-P88 HydrophobicContact CG-CB 4.15Å; P51-F89 HydrophobicContact CB-CB 4.31Å; P51-F89 WeakPolarHBondContact O-CD2 3.21Å
52E86.4Confident76.2Confident177 Ų17796.2 Ų96.283%0.82748%0.479SS*.PPolyproline II helixtrans-68.6143.1-177.9-166.7174165.300110.8R50 P54R50-E52 PolarHBondContact O-N 3.15Å; E52-P54 WeakPolarHBondContact O-CD 3.37Å
53K89.2Confident78.7Confident114 Ų11487.6 Ų87.650%0.49644%0.441SS..PPolyproline II helixtrans-68.6126.2177.8-178177.2177.7177.10109.5F89K53-F89 HydrophobicContact CB-CD2 4.09Å; K53-F89 HydrophobicContact CB-CE2 3.85Å; K53-F89 HydrophobicContact CB-CZ 4.08Å; K53-F89 HydrophobicContact CD-CZ 4.2Å; K53-F89 HydrophobicContact CG-CD1 4.45Å; K53-F89 HydrophobicContact CG-CE1 4.06Å; K53-F89 HydrophobicContact CG-CE2 4.24Å; K53-F89 HydrophobicContact CG-CZ 3.95Å
54P91.4Very high81Confident15 Ų1579.4 Ų79.410%0.09741%0.407CS..PPolyproline II helixtrans-56.8142.7179.7-25.634000112.7E52 Y56 F87 F90E52-P54 WeakPolarHBondContact O-CD 3.37Å; P54-Y56 HydrophobicContact CB-CD2 3.72Å; P54-Y56 HydrophobicContact CB-CE2 4.36Å; P54-Y56 PolarHBondContact O-N 3.23Å; P54-F87 HydrophobicContact CB-CD1 3.92Å; P54-F87 HydrophobicContact CB-CE1 4.08Å; P54-F87 HydrophobicContact CB-CG 4.44Å; P54-F87 HydrophobicContact CG-CB 3.8Å; P54-F87 HydrophobicContact CG-CD1 3.49Å; P54-F87 VanDerWaalsContact CG-CD1 3.49Å; P54-F87 HydrophobicContact CG-CD2 4.46Å; P54-F87 HydrophobicContact CG-CE1 4.15Å; P54-F87 HydrophobicContact CG-CG 3.67Å; P54-F90 HydrophobicContact CG-CE2 4.28Å
55P91.6Very high83.3Confident99 Ų9975.1 Ų75.164%0.64338%0.38SS*.SBendtrans-76.134.2-175.432.8-37.7000114
56Y93.4Very high85.7Confident71 Ų7167.8 Ų67.828%0.27834%0.341SS..BIsolated β-bridgetrans-116.6153.7-174.4-58.5-66.2000111.1P54 L61 M64 F87 F142P54-Y56 HydrophobicContact CB-CD2 3.72Å; P54-Y56 HydrophobicContact CB-CE2 4.36Å; P54-Y56 PolarHBondContact O-N 3.23Å; Y56-L61 HydrophobicContact CD2-CD2 4.21Å; Y56-L61 HydrophobicContact CG-CD2 4.46Å; Y56-M64 HydrophobicContact CD1-CE 4.1Å; Y56-M64 HydrophobicContact CD2-CE 3.88Å; Y56-M64 HydrophobicContact CE1-CE 4.43Å; Y56-M64 HydrophobicContact CE2-CE 4.24Å; Y56-M64 HydrophobicContact CG-CE 3.82Å; Y56-F87 HydrophobicContact CD2-CE1 4.27Å; Y56-F87 HydrophobicContact CD2-CZ 4.26Å; Y56-F87 HydrophobicContact CE2-CE1 4.07Å; Y56-F87 HydrophobicContact CE2-CZ 4.27Å; Y56-F142 HydrophobicContact CD1-CB 3.81Å; Y56-F142 WeakPolarHBondContact CD1-O 3.44Å; Y56-F142 HydrophobicContact CE1-CB 3.79Å
57S95.1Very high87.9Confident33 Ų3366.1 Ų66.123%0.23132%0.32CS..  trans-76.4160.5167.161.10000110.2I59 A60 L61S57-I59 PolarHBondContact O-N 3.12Å; S57-A60 PolarHBondContact O-N 3.41Å; S57-A60 WeakPolarHBondContact OG-CB 3.08Å; S57-A60 PolarHBondContact OG-N 2.6Å; S57-A60 VanDerWaalsContact OG-N 3.09Å; S57-L61 WeakPolarHBondContact O-CB 3.47Å; S57-L61 VanDerWaalsContact O-CG 3.3Å; S57-L61 WeakPolarHBondContact O-CG 3.44Å; S57-L61 PolarHBondContact O-N 2.76Å
58Y97.1Very high90.1Very high47 Ų4767.3 Ų67.318%0.18432%0.321CS..Hα-helixtrans-59.7-33.9171.8-71.2-64.9000112.2L61 I62 F90 W97 V101Y58-L61 HydrophobicContact CD1-CD1 4.07Å; Y58-L61 PolarHBondContact O-N 2.91Å; Y58-I62 WeakPolarHBondContact O-CD1 3.2Å; Y58-I62 WeakPolarHBondContact O-CG1 3.29Å; Y58-I62 PolarHBondContact O-N 3.41Å; Y58-F90 HydrophobicContact CE1-CE1 4.4Å; Y58-W97 HydrophobicContact CE1-CB 4.45Å; Y58-V101 HydrophobicContact CD1-CG2 4.21Å
59I96.2Very high91.7Very high37 Ų3760.3 Ų60.319%0.1929%0.286CS..Hα-helixtrans-57.1-56.7171.5-54.6171.9000110.1S57 L61 I62 V63 N108 F111 F137S57-I59 PolarHBondContact O-N 3.12Å; I59-L61 VanDerWaalsContact C-N 3.29Å; I59-L61 PolarHBondContact O-N 3.01Å; I59-I62 PolarHBondContact O-N 3.35Å; I59-I62 VanDerWaalsContact O-N 3.14Å; I59-V63 HydrophobicContact CG2-CG2 4.4Å; I59-V63 WeakPolarHBondContact O-CG2 3.07Å; I59-V63 PolarHBondContact O-N 3.47Å; I59-N108 VanDerWaalsContact CD1-OD1 3.28Å; I59-N108 WeakPolarHBondContact CD1-OD1 3.48Å; I59-F111 HydrophobicContact CB-CE2 4.4Å; I59-F111 HydrophobicContact CB-CZ 4.4Å; I59-F111 HydrophobicContact CG1-CE2 4.47Å; I59-F111 HydrophobicContact CG2-CE2 4.02Å; I59-F111 HydrophobicContact CG2-CZ 3.81Å; I59-F137 HydrophobicContact CG2-CE1 4.04Å; I59-F137 HydrophobicContact CG2-CZ 3.77Å
60A95.8Very high93.2Very high1 Ų156.5 Ų56.51%0.00829%0.289CS..Hα-helixtrans-60.1-37.1179.500000112.8S57 V63 M64 F142S57-A60 PolarHBondContact O-N 3.41Å; S57-A60 WeakPolarHBondContact OG-CB 3.08Å; S57-A60 PolarHBondContact OG-N 2.6Å; S57-A60 VanDerWaalsContact OG-N 3.09Å; A60-V63 PolarHBondContact O-N 2.81Å; A60-M64 WeakPolarHBondContact O-CE 3.33Å; A60-M64 WeakPolarHBondContact O-CG 3.42Å; A60-M64 PolarHBondContact O-N 3.28Å; A60-F142 HydrophobicContact CB-CB 4.17Å; A60-F142 HydrophobicContact CB-CD1 4.22Å; A60-F142 WeakPolarHBondContact CB-O 3.32Å
61L96.9Very high94.4Very high4 Ų449.4 Ų49.42%0.02127%0.272CS..Hα-helixtrans-63.6-41.7175.6-72.8169.9000112.7Y56 S57 Y58 I59 M64 A65 L83 F87 F90Y56-L61 HydrophobicContact CD2-CD2 4.21Å; Y56-L61 HydrophobicContact CG-CD2 4.46Å; S57-L61 WeakPolarHBondContact O-CB 3.47Å; S57-L61 VanDerWaalsContact O-CG 3.3Å; S57-L61 WeakPolarHBondContact O-CG 3.44Å; S57-L61 PolarHBondContact O-N 2.76Å; Y58-L61 HydrophobicContact CD1-CD1 4.07Å; Y58-L61 PolarHBondContact O-N 2.91Å; I59-L61 VanDerWaalsContact C-N 3.29Å; I59-L61 PolarHBondContact O-N 3.01Å; L61-M64 HydrophobicContact CD2-CE 3.92Å; L61-A65 PolarHBondContact O-N 2.84Å; L61-L83 HydrophobicContact CB-CD2 3.82Å; L61-L83 HydrophobicContact CD2-CD2 4.05Å; L61-L83 HydrophobicContact CG-CD2 4.43Å; L61-F87 HydrophobicContact CD2-CD2 4.02Å; L61-F87 HydrophobicContact CD2-CE2 3.46Å; L61-F87 VanDerWaalsContact CD2-CE2 3.46Å; L61-F87 HydrophobicContact CD2-CZ 3.83Å; L61-F90 HydrophobicContact CD1-CE2 4.21Å; L61-F90 HydrophobicContact CD1-CZ 3.71Å; L61-F90 HydrophobicContact CD2-CE2 4.39Å
62I97.9Very high95.1Very high0 Ų051 Ų510%027%0.272CS..Hα-helixtrans-70.2-43.4176.7-66.3159.6000110.4Y58 I59 M64 A65 I66 I79 V101 N104 L105 F111Y58-I62 WeakPolarHBondContact O-CD1 3.2Å; Y58-I62 WeakPolarHBondContact O-CG1 3.29Å; Y58-I62 PolarHBondContact O-N 3.41Å; I59-I62 PolarHBondContact O-N 3.35Å; I59-I62 VanDerWaalsContact O-N 3.14Å; I62-M64 PolarHBondContact O-N 2.83Å; I62-A65 WeakPolarHBondContact O-CB 3.38Å; I62-A65 PolarHBondContact O-N 3.49Å; I62-A65 VanDerWaalsContact O-N 3.14Å; I62-I66 HydrophobicContact CG2-CD1 3.78Å; I62-I66 HydrophobicContact CG2-CG1 4.38Å; I62-I66 WeakPolarHBondContact O-CG1 3.47Å; I62-I66 PolarHBondContact O-N 2.69Å; I62-I79 HydrophobicContact CG1-CG2 4.27Å; I62-I79 HydrophobicContact CG2-CD1 4.29Å; I62-V101 HydrophobicContact CD1-CG1 4.22Å; I62-V101 HydrophobicContact CG1-CG1 4.27Å; I62-N104 HydrophobicContact CD1-CB 3.97Å; I62-L105 HydrophobicContact CD1-CD2 4.17Å; I62-L105 HydrophobicContact CD1-CG 4.05Å; I62-L105 HydrophobicContact CG2-CD2 3.72Å; I62-F111 HydrophobicContact CB-CE1 3.96Å; I62-F111 HydrophobicContact CB-CE2 4.25Å; I62-F111 HydrophobicContact CB-CZ 3.62Å; I62-F111 HydrophobicContact CD1-CE2 4.02Å; I62-F111 HydrophobicContact CD1-CZ 4.26Å; I62-F111 HydrophobicContact CG2-CD1 3.88Å; I62-F111 HydrophobicContact CG2-CE1 3.38Å; I62-F111 HydrophobicContact CG2-CE2 4.13Å; I62-F111 HydrophobicContact CG2-CG 4.45Å; I62-F111 HydrophobicContact CG2-CZ 3.52Å
63V96.8Very high95.6Very high0 Ų047.5 Ų47.50%025%0.251CS..Hα-helixtrans-57.5-49.8176.4169.60000111I59 A60 A65 I66 Q67 F111 I129 F137 F142I59-V63 HydrophobicContact CG2-CG2 4.4Å; I59-V63 WeakPolarHBondContact O-CG2 3.07Å; I59-V63 PolarHBondContact O-N 3.47Å; A60-V63 PolarHBondContact O-N 2.81Å; V63-A65 PolarHBondContact O-N 3.42Å; V63-I66 PolarHBondContact O-N 2.7Å; V63-I66 VanDerWaalsContact O-N 3.16Å; V63-Q67 HydrophobicContact CG1-CG 4.05Å; V63-Q67 WeakPolarHBondContact O-CB 3.44Å; V63-Q67 WeakPolarHBondContact O-CG 3.24Å; V63-Q67 PolarHBondContact O-N 3.18Å; V63-F111 HydrophobicContact CG2-CE1 3.76Å; V63-F111 HydrophobicContact CG2-CZ 3.92Å; V63-I129 HydrophobicContact CB-CD1 4.35Å; V63-I129 HydrophobicContact CG1-CD1 3.83Å; V63-I129 HydrophobicContact CG2-CD1 4.35Å; V63-I129 HydrophobicContact CG2-CG1 4.29Å; V63-F137 HydrophobicContact CB-CD1 4.41Å; V63-F137 HydrophobicContact CB-CG 4.39Å; V63-F137 HydrophobicContact CG1-CB 3.66Å; V63-F137 HydrophobicContact CG1-CD1 4.09Å; V63-F137 HydrophobicContact CG1-CD2 4.11Å; V63-F137 HydrophobicContact CG1-CG 3.69Å; V63-F137 HydrophobicContact CG2-CD1 4.05Å; V63-F137 HydrophobicContact CG2-CD2 3.95Å; V63-F137 HydrophobicContact CG2-CE1 4Å; V63-F137 HydrophobicContact CG2-CE2 3.89Å; V63-F137 HydrophobicContact CG2-CG 4.03Å; V63-F137 HydrophobicContact CG2-CZ 3.91Å; V63-F142 HydrophobicContact CG1-CE1 3.89Å
64M96.4Very high96Very high35 Ų3542.9 Ų42.917%0.17223%0.232CC..Hα-helixtrans-57.5-37176.7-75.6-174.6-70.800112.3Y56 A60 L61 I62 S68 F82 F87 F142Y56-M64 HydrophobicContact CD1-CE 4.1Å; Y56-M64 HydrophobicContact CD2-CE 3.88Å; Y56-M64 HydrophobicContact CE1-CE 4.43Å; Y56-M64 HydrophobicContact CE2-CE 4.24Å; Y56-M64 HydrophobicContact CG-CE 3.82Å; A60-M64 WeakPolarHBondContact O-CE 3.33Å; A60-M64 WeakPolarHBondContact O-CG 3.42Å; A60-M64 PolarHBondContact O-N 3.28Å; L61-M64 HydrophobicContact CD2-CE 3.92Å; I62-M64 PolarHBondContact O-N 2.83Å; M64-S68 WeakPolarHBondContact O-CB 3.1Å; M64-S68 PolarHBondContact O-N 3.45Å; M64-S68 PolarHBondContact O-OG 3.44Å; M64-F82 HydrophobicContact CB-CE1 4.33Å; M64-F82 HydrophobicContact CB-CZ 4.5Å; M64-F87 HydrophobicContact CE-CZ 4.05Å; M64-F142 HydrophobicContact CG-CD1 3.91Å; M64-F142 HydrophobicContact CG-CE1 3.9Å; M64-F142 HydrophobicContact CG-CG 4.3Å; M64-F142 HydrophobicContact CG-CZ 4.27Å; M64-F142 HydrophobicContact SD-CG 4.36Å
65A97.8Very high96.2Very high0 Ų042.9 Ų42.90%023%0.231CC..Hα-helixtrans-63.7-53.4174.900000111.1L61 I62 V63 Q67 S68 S69 L74 F82L61-A65 PolarHBondContact O-N 2.84Å; I62-A65 WeakPolarHBondContact O-CB 3.38Å; I62-A65 PolarHBondContact O-N 3.49Å; I62-A65 VanDerWaalsContact O-N 3.14Å; V63-A65 PolarHBondContact O-N 3.42Å; A65-Q67 PolarHBondContact O-N 2.72Å; A65-S68 PolarHBondContact O-N 3.5Å; A65-S68 PolarHBondContact O-OG 3.08Å; A65-S69 PolarHBondContact O-N 3.26Å; A65-L74 HydrophobicContact CB-CD1 3.93Å; A65-L74 WeakPolarHBondContact O-CD1 3.37Å; A65-F82 VanDerWaalsContact CA-CD1 3.48Å; A65-F82 VanDerWaalsContact CA-CE1 3.48Å; A65-F82 HydrophobicContact CB-CB 4.05Å; A65-F82 HydrophobicContact CB-CD1 3.3Å; A65-F82 HydrophobicContact CB-CD2 4.45Å; A65-F82 HydrophobicContact CB-CE1 3.8Å; A65-F82 HydrophobicContact CB-CG 3.67Å
66I97.3Very high96.5Very high1 Ų140.4 Ų40.41%0.00521%0.213CC..Hα-helixtrans-62.3-45.7-177.8-66173.1000111.1I62 V63 S68 S69 K72 F111 I129I62-I66 HydrophobicContact CG2-CD1 3.78Å; I62-I66 HydrophobicContact CG2-CG1 4.38Å; I62-I66 WeakPolarHBondContact O-CG1 3.47Å; I62-I66 PolarHBondContact O-N 2.69Å; V63-I66 PolarHBondContact O-N 2.7Å; V63-I66 VanDerWaalsContact O-N 3.16Å; I66-S68 VanDerWaalsContact C-N 3.27Å; I66-S68 PolarHBondContact O-N 3.08Å; I66-S69 WeakPolarHBondContact O-CB 3.36Å; I66-S69 PolarHBondContact O-N 3.48Å; I66-S69 VanDerWaalsContact O-N 3.08Å; I66-S69 PolarHBondContact O-OG 2.97Å; I66-K72 WeakPolarHBondContact CG2-O 3.33Å; I66-F111 HydrophobicContact CD1-CD1 4.05Å; I66-F111 HydrophobicContact CD1-CE1 4.23Å; I66-I129 HydrophobicContact CB-CD1 4.12Å; I66-I129 HydrophobicContact CB-CG1 4.27Å; I66-I129 HydrophobicContact CD1-CG1 4.25Å; I66-I129 HydrophobicContact CG2-CD1 3.91Å; I66-I129 HydrophobicContact CG2-CG1 3.98Å
67Q95.5Very high96.7Very high45 Ų4540.2 Ų40.221%0.2122%0.221CC..Hα-helixtrans-62.7-30.6178.8-75.5179.5-26.500113.4V63 A65 S69 K72 I129V63-Q67 HydrophobicContact CG1-CG 4.05Å; V63-Q67 WeakPolarHBondContact O-CB 3.44Å; V63-Q67 WeakPolarHBondContact O-CG 3.24Å; V63-Q67 PolarHBondContact O-N 3.18Å; A65-Q67 PolarHBondContact O-N 2.72Å; Q67-S69 VanDerWaalsContact C-N 3.29Å; Q67-K72 PolarHBondContact O-NZ 3.47Å; Q67-I129 HydrophobicContact CG-CD1 3.73Å
68S96Very high96.8Very high70 Ų7042.1 Ų42.149%0.4923%0.227SC..Hα-helixtrans-73.2-18.7175.977.70000113.9M64 A65 I66 F82M64-S68 WeakPolarHBondContact O-CB 3.1Å; M64-S68 PolarHBondContact O-N 3.45Å; M64-S68 PolarHBondContact O-OG 3.44Å; A65-S68 PolarHBondContact O-N 3.5Å; A65-S68 PolarHBondContact O-OG 3.08Å; I66-S68 VanDerWaalsContact C-N 3.27Å; I66-S68 PolarHBondContact O-N 3.08Å; S68-F82 WeakPolarHBondContact OG-CD2 3.34Å; S68-F82 WeakPolarHBondContact OG-CE2 3.45Å
69S96.5Very high96.9Very high9 Ų939.9 Ų39.96%0.06322%0.218CC..SBendtrans-78.5135.5176.374.90000110.5A65 I66 Q67 T71 K72 R73A65-S69 PolarHBondContact O-N 3.26Å; I66-S69 WeakPolarHBondContact O-CB 3.36Å; I66-S69 PolarHBondContact O-N 3.48Å; I66-S69 VanDerWaalsContact O-N 3.08Å; I66-S69 PolarHBondContact O-OG 2.97Å; Q67-S69 VanDerWaalsContact C-N 3.29Å; S69-T71 PolarHBondContact O-N 2.93Å; S69-K72 PolarHBondContact O-N 2.94Å; S69-K72 VanDerWaalsContact O-N 3.07Å; S69-K72 WeakPolarHBondContact OG-CA 3.38Å; S69-K72 PolarHBondContact OG-N 2.98Å; S69-R73 PolarHBondContact OG-N 3.18Å; S69-R73 VanDerWaalsContact OG-N 3.08Å; S69-R73 PolarHBondContact OG-O 3.32Å
70P96.5Very high97Very high132 Ų13239.4 Ų39.486%0.85721%0.214SC*.THydrogen-bonded Turntrans-64.7-26.7178.626.7-34.7000111.9K72P70-K72 VanDerWaalsContact C-N 3.31Å
71T96Very high97.1Very high84 Ų8444.8 Ų44.852%0.51524%0.239SC..THydrogen-bonded Turntrans-85.21.8177.350.30000114.2S69 R73S69-T71 PolarHBondContact O-N 2.93Å; T71-R73 WeakPolarHBondContact O-CG 3.43Å; T71-R73 PolarHBondContact O-N 2.81Å; T71-R73 PolarHBondContact OG1-O 2.83Å
72K96.8Very high97.1Very high96 Ų9646.6 Ų46.642%0.41725%0.247SC..SBendtrans47.528.1-175-60.9-65.4-174.9177.40114.4I66 Q67 S69 P70 T128I66-K72 WeakPolarHBondContact CG2-O 3.33Å; Q67-K72 PolarHBondContact O-NZ 3.47Å; S69-K72 PolarHBondContact O-N 2.94Å; S69-K72 VanDerWaalsContact O-N 3.07Å; S69-K72 WeakPolarHBondContact OG-CA 3.38Å; S69-K72 PolarHBondContact OG-N 2.98Å; P70-K72 VanDerWaalsContact C-N 3.31Å; K72-T128 PolarHBondContact O-OG1 3.11Å
73R96.6Very high97.1Very high104 Ų10446.6 Ų46.639%0.39225%0.247SC..EExtended strand (participates in β ladder)trans-153.5140.1-179.672-169.2177.4-177-5.5110S69 T71 Y126 W127S69-R73 PolarHBondContact OG-N 3.18Å; S69-R73 VanDerWaalsContact OG-N 3.08Å; S69-R73 PolarHBondContact OG-O 3.32Å; T71-R73 WeakPolarHBondContact O-CG 3.43Å; T71-R73 PolarHBondContact O-N 2.81Å; T71-R73 PolarHBondContact OG1-O 2.83Å; R73-Y126 HydrophobicContact CG-CD1 4.12Å; R73-Y126 HydrophobicContact CG-CG 4.33Å; R73-W127 CarbonylContact C-O 3.56Å; R73-W127 VanDerWaalsContact CA-O 3.24Å; R73-W127 WeakPolarHBondContact CA-O 3.45Å
74L97.5Very high97.1Very high17 Ų1749.4 Ų49.49%0.08926%0.26CS..EExtended strand (participates in β ladder)trans-138.4150.2-179.9-70.9-177.3000111.5A65 E78 I79 W127A65-L74 HydrophobicContact CB-CD1 3.93Å; A65-L74 WeakPolarHBondContact O-CD1 3.37Å; L74-E78 HydrophobicContact CB-CB 4.22Å; L74-E78 HydrophobicContact CD1-CB 4.46Å; L74-E78 HydrophobicContact CD2-CB 3.86Å; L74-E78 HydrophobicContact CD2-CG 4.5Å; L74-E78 HydrophobicContact CG-CB 4.42Å; L74-I79 HydrophobicContact CB-CD1 4.43Å; L74-I79 HydrophobicContact CB-CG1 3.87Å; L74-I79 HydrophobicContact CD1-CG1 4.18Å; L74-W127 PolarHBondContact N-O 3.18Å; L74-W127 PolarHBondContact O-N 3.33Å
75T97.4Very high97.2Very high15 Ų1551.5 Ų51.59%0.09228%0.278CS..EExtended strand (participates in β ladder)trans-76.5162165.468.10000111.1S77 E78 I79 Y126T75-S77 PolarHBondContact O-N 3.2Å; T75-S77 VanDerWaalsContact O-N 3.15Å; T75-E78 WeakPolarHBondContact CA-OE2 3.28Å; T75-E78 WeakPolarHBondContact CB-OE2 3.39Å; T75-E78 VanDerWaalsContact CG2-OE2 3.29Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.49Å; T75-E78 PolarHBondContact N-OE2 3.04Å; T75-E78 PolarHBondContact O-N 3.04Å; T75-E78 VanDerWaalsContact O-N 3.12Å; T75-E78 PolarHBondContact OG1-N 2.97Å; T75-E78 PolarHBondContact OG1-OE2 3.15Å; T75-I79 WeakPolarHBondContact O-CG1 3.47Å; T75-I79 PolarHBondContact O-N 2.79Å; T75-Y126 HydrophobicContact CG2-CD1 3.75Å; T75-Y126 HydrophobicContact CG2-CE1 3.72Å
76L97.6Very high97.1Very high48 Ų4859.8 Ų59.825%0.25131%0.309SS..Hα-helixtrans-53.7-34.2173.9-178.264.7000113.1Y80 V101 R102 L105L76-Y80 HydrophobicContact CD1-CD1 4.37Å; L76-Y80 HydrophobicContact CD1-CE1 3.59Å; L76-Y80 HydrophobicContact CD1-CE2 4.34Å; L76-Y80 HydrophobicContact CD2-CE2 4.31Å; L76-Y80 HydrophobicContact CG-CE1 4.07Å; L76-Y80 HydrophobicContact CG-CE2 3.9Å; L76-Y80 WeakPolarHBondContact O-CD1 3.17Å; L76-Y80 WeakPolarHBondContact O-CD2 3.46Å; L76-Y80 VanDerWaalsContact O-CG 3.24Å; L76-Y80 PolarHBondContact O-N 3.18Å; L76-V101 HydrophobicContact CD1-CG1 4.1Å; L76-R102 HydrophobicContact CD1-CG 3.94Å; L76-R102 HydrophobicContact CD2-CG 3.78Å; L76-L105 HydrophobicContact CD1-CD1 3.63Å
77S97.4Very high97Very high66 Ų6661.2 Ų61.246%0.46232%0.315SS..Hα-helixtrans-69.1-43.7178.8-1690000111.7T75 Y80 Q81T75-S77 PolarHBondContact O-N 3.2Å; T75-S77 VanDerWaalsContact O-N 3.15Å; S77-Y80 WeakPolarHBondContact O-CB 3.47Å; S77-Y80 PolarHBondContact O-N 3.17Å; S77-Q81 WeakPolarHBondContact O-CG 3.33Å; S77-Q81 PolarHBondContact O-N 3.23Å; S77-Q81 PolarHBondContact O-NE2 3.16Å; S77-Q81 PolarHBondContact OG-NE2 3.49Å
78E97.6Very high96.9Very high73 Ų7362.3 Ų62.334%0.34133%0.326SS..Hα-helixtrans-68.3-37.2179.2-67.8154135.600111.2L74 T75 Y80 Q81 F82L74-E78 HydrophobicContact CB-CB 4.22Å; L74-E78 HydrophobicContact CD1-CB 4.46Å; L74-E78 HydrophobicContact CD2-CB 3.86Å; L74-E78 HydrophobicContact CD2-CG 4.5Å; L74-E78 HydrophobicContact CG-CB 4.42Å; T75-E78 WeakPolarHBondContact CA-OE2 3.28Å; T75-E78 WeakPolarHBondContact CB-OE2 3.39Å; T75-E78 VanDerWaalsContact CG2-OE2 3.29Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.49Å; T75-E78 PolarHBondContact N-OE2 3.04Å; T75-E78 PolarHBondContact O-N 3.04Å; T75-E78 VanDerWaalsContact O-N 3.12Å; T75-E78 PolarHBondContact OG1-N 2.97Å; T75-E78 PolarHBondContact OG1-OE2 3.15Å; E78-Y80 VanDerWaalsContact C-N 3.32Å; E78-Y80 PolarHBondContact O-N 3.09Å; E78-Q81 PolarHBondContact O-N 3.29Å; E78-Q81 VanDerWaalsContact O-N 3.15Å; E78-F82 WeakPolarHBondContact O-CB 3.43Å; E78-F82 PolarHBondContact O-N 3.03Å
79I98.2Very high96.8Very high0 Ų061.9 Ų61.90%032%0.316CS..Hα-helixtrans-58.9-44.1171.7-64.2165000110.5I62 L74 T75 Q81 F82 L83 V101 L105 W127I62-I79 HydrophobicContact CG1-CG2 4.27Å; I62-I79 HydrophobicContact CG2-CD1 4.29Å; L74-I79 HydrophobicContact CB-CD1 4.43Å; L74-I79 HydrophobicContact CB-CG1 3.87Å; L74-I79 HydrophobicContact CD1-CG1 4.18Å; T75-I79 WeakPolarHBondContact O-CG1 3.47Å; T75-I79 PolarHBondContact O-N 2.79Å; I79-Q81 VanDerWaalsContact C-N 3.33Å; I79-Q81 PolarHBondContact O-N 3.26Å; I79-F82 PolarHBondContact O-N 3.13Å; I79-L83 HydrophobicContact CG2-CD1 4.29Å; I79-L83 WeakPolarHBondContact O-CG 3.45Å; I79-L83 PolarHBondContact O-N 2.97Å; I79-L83 VanDerWaalsContact O-N 3.09Å; I79-V101 HydrophobicContact CG2-CG1 3.98Å; I79-L105 HydrophobicContact CD1-CD1 4.19Å; I79-L105 HydrophobicContact CD1-CD2 4.24Å; I79-W127 HydrophobicContact CD1-CB 4.49Å
80Y98.1Very high96.8Very high28 Ų2861.5 Ų61.511%0.1131%0.313CS..Hα-helixtrans-61.8-40.7175.4-64-19.7000112.3L76 S77 E78 Q84 W97 K98 V101 R102L76-Y80 HydrophobicContact CD1-CD1 4.37Å; L76-Y80 HydrophobicContact CD1-CE1 3.59Å; L76-Y80 HydrophobicContact CD1-CE2 4.34Å; L76-Y80 HydrophobicContact CD2-CE2 4.31Å; L76-Y80 HydrophobicContact CG-CE1 4.07Å; L76-Y80 HydrophobicContact CG-CE2 3.9Å; L76-Y80 WeakPolarHBondContact O-CD1 3.17Å; L76-Y80 WeakPolarHBondContact O-CD2 3.46Å; L76-Y80 VanDerWaalsContact O-CG 3.24Å; L76-Y80 PolarHBondContact O-N 3.18Å; S77-Y80 WeakPolarHBondContact O-CB 3.47Å; S77-Y80 PolarHBondContact O-N 3.17Å; E78-Y80 VanDerWaalsContact C-N 3.32Å; E78-Y80 PolarHBondContact O-N 3.09Å; Y80-Q84 WeakPolarHBondContact O-CG 3.36Å; Y80-Q84 PolarHBondContact O-N 2.82Å; Y80-Q84 PolarHBondContact O-NE2 3.04Å; Y80-W97 HydrophobicContact CD1-CH2 4.19Å; Y80-W97 AromaticContact CD1-CZ3 3.72Å; Y80-W97 HydrophobicContact CD1-CZ3 3.72Å; Y80-W97 HydrophobicContact CE1-CZ3 4.35Å; Y80-W97 HydrophobicContact CG-CH2 4.3Å; Y80-W97 HydrophobicContact CG-CZ3 4.29Å; Y80-K98 HydrophobicContact CD1-CG 4.05Å; Y80-K98 HydrophobicContact CD2-CD 4.02Å; Y80-K98 HydrophobicContact CD2-CG 4.31Å; Y80-K98 HydrophobicContact CE1-CB 3.9Å; Y80-K98 HydrophobicContact CE1-CD 4.48Å; Y80-K98 HydrophobicContact CE1-CG 3.79Å; Y80-K98 HydrophobicContact CE2-CB 4.34Å; Y80-K98 HydrophobicContact CE2-CD 3.87Å; Y80-K98 HydrophobicContact CE2-CG 4.07Å; Y80-K98 HydrophobicContact CG-CD 4.38Å; Y80-K98 HydrophobicContact CG-CG 4.28Å; Y80-K98 PolarHBondContact OH-O 3.36Å; Y80-K98 VanDerWaalsContact OH-O 3.12Å; Y80-V101 HydrophobicContact CD1-CG1 4.3Å; Y80-V101 HydrophobicContact CE1-CB 4.05Å; Y80-V101 HydrophobicContact CE1-CG1 3.84Å; Y80-R102 WeakPolarHBondContact OH-CG 3.3Å; Y80-R102 PolarHBondContact OH-NH1 3.09Å
81Q98Very high96.7Very high114 Ų11462.4 Ų62.453%0.53330%0.299SS..Hα-helixtrans-68.2-44.3179.6-69.7170.554.300111.6S77 E78 I79 L83 Q84 S85S77-Q81 WeakPolarHBondContact O-CG 3.33Å; S77-Q81 PolarHBondContact O-N 3.23Å; S77-Q81 PolarHBondContact O-NE2 3.16Å; S77-Q81 PolarHBondContact OG-NE2 3.49Å; E78-Q81 PolarHBondContact O-N 3.29Å; E78-Q81 VanDerWaalsContact O-N 3.15Å; I79-Q81 VanDerWaalsContact C-N 3.33Å; I79-Q81 PolarHBondContact O-N 3.26Å; Q81-L83 PolarHBondContact O-N 3.14Å; Q81-Q84 PolarHBondContact O-N 2.96Å; Q81-S85 PolarHBondContact O-N 3.47Å; Q81-S85 PolarHBondContact O-OG 3.29Å
82F98.1Very high96.5Very high42 Ų4260.2 Ų60.218%0.18429%0.294CS..Hα-helixtrans-58.7-45.1175.7177.1-89.3000112.3M64 A65 S68 E78 I79 Q84 S85 R86M64-F82 HydrophobicContact CB-CE1 4.33Å; M64-F82 HydrophobicContact CB-CZ 4.5Å; A65-F82 VanDerWaalsContact CA-CD1 3.48Å; A65-F82 VanDerWaalsContact CA-CE1 3.48Å; A65-F82 HydrophobicContact CB-CB 4.05Å; A65-F82 HydrophobicContact CB-CD1 3.3Å; A65-F82 HydrophobicContact CB-CD2 4.45Å; A65-F82 HydrophobicContact CB-CE1 3.8Å; A65-F82 HydrophobicContact CB-CG 3.67Å; S68-F82 WeakPolarHBondContact OG-CD2 3.34Å; S68-F82 WeakPolarHBondContact OG-CE2 3.45Å; E78-F82 WeakPolarHBondContact O-CB 3.43Å; E78-F82 PolarHBondContact O-N 3.03Å; I79-F82 PolarHBondContact O-N 3.13Å; F82-Q84 VanDerWaalsContact C-N 3.35Å; F82-Q84 PolarHBondContact O-N 2.98Å; F82-S85 PolarHBondContact O-N 2.97Å; F82-S85 PolarHBondContact O-OG 3.14Å; F82-R86 HydrophobicContact CE1-CB 4.36Å; F82-R86 HydrophobicContact CZ-CB 4.44Å; F82-R86 HydrophobicContact CZ-CG 4.45Å; F82-R86 VanDerWaalsContact O-CB 3.32Å; F82-R86 WeakPolarHBondContact O-CB 3.45Å; F82-R86 PolarHBondContact O-N 3.23Å
83L97.9Very high96.3Very high0 Ų061.5 Ų61.50%032%0.315CS..Hα-helixtrans-65-40.5179.1-67.7-179.2000111.8L61 I79 Q81 F87 F90 W97 V101L61-L83 HydrophobicContact CB-CD2 3.82Å; L61-L83 HydrophobicContact CD2-CD2 4.05Å; L61-L83 HydrophobicContact CG-CD2 4.43Å; I79-L83 HydrophobicContact CG2-CD1 4.29Å; I79-L83 WeakPolarHBondContact O-CG 3.45Å; I79-L83 PolarHBondContact O-N 2.97Å; I79-L83 VanDerWaalsContact O-N 3.09Å; Q81-L83 PolarHBondContact O-N 3.14Å; L83-F87 HydrophobicContact CD2-CD2 4.24Å; L83-F87 HydrophobicContact CD2-CE2 4.22Å; L83-F87 PolarHBondContact O-N 3.03Å; L83-F90 HydrophobicContact CB-CB 4.45Å; L83-F90 HydrophobicContact CB-CD2 3.72Å; L83-F90 HydrophobicContact CB-CE2 4.2Å; L83-F90 HydrophobicContact CB-CG 4.13Å; L83-F90 HydrophobicContact CD2-CE2 4.34Å; L83-F90 WeakPolarHBondContact O-CD2 3.41Å; L83-W97 HydrophobicContact CD1-CZ3 4.29Å; L83-V101 HydrophobicContact CD1-CG2 3.97Å
84Q96.9Very high96.1Very high59 Ų5964.3 Ų64.328%0.27633%0.327SS..Hα-helixtrans-66.9-40.6174.9-75.91689500112.4Y80 Q81 F82 F90 R91 W97Y80-Q84 WeakPolarHBondContact O-CG 3.36Å; Y80-Q84 PolarHBondContact O-N 2.82Å; Y80-Q84 PolarHBondContact O-NE2 3.04Å; Q81-Q84 PolarHBondContact O-N 2.96Å; F82-Q84 VanDerWaalsContact C-N 3.35Å; F82-Q84 PolarHBondContact O-N 2.98Å; Q84-F90 HydrophobicContact CG-CB 4.06Å; Q84-F90 WeakPolarHBondContact CG-O 3.42Å; Q84-R91 HydrophobicContact CB-CG 4.37Å; Q84-R91 WeakPolarHBondContact O-CG 3.43Å; Q84-R91 PolarHBondContact O-NE 3.02Å; Q84-W97 HydrophobicContact CG-CH2 4.14Å; Q84-W97 HydrophobicContact CG-CZ2 4.11Å
85S97Very high96Very high78 Ų7867.1 Ų67.155%0.54534%0.339SS..Hα-helixtrans-67.6-45.7178.469.10000111Q81 F82 R91Q81-S85 PolarHBondContact O-N 3.47Å; Q81-S85 PolarHBondContact O-OG 3.29Å; F82-S85 PolarHBondContact O-N 2.97Å; F82-S85 PolarHBondContact O-OG 3.14Å; S85-R91 PolarHBondContact O-NH2 2.92Å
86R95.6Very high95.9Very high175 Ų17567.6 Ų67.666%0.6635%0.347SS*.Hα-helixtrans-78.8-36-174.3-167.159.9170.7172.6-1.3114.8F82F82-R86 HydrophobicContact CE1-CB 4.36Å; F82-R86 HydrophobicContact CZ-CB 4.44Å; F82-R86 HydrophobicContact CZ-CG 4.45Å; F82-R86 VanDerWaalsContact O-CB 3.32Å; F82-R86 WeakPolarHBondContact O-CB 3.45Å; F82-R86 PolarHBondContact O-N 3.23Å
87F95.1Very high95.9Very high31 Ų3165.4 Ų65.414%0.13634%0.335CS..  trans-126.6116.8-175.5-50.9-81.4000112P54 Y56 L61 M64 L83 F89 F90P54-F87 HydrophobicContact CB-CD1 3.92Å; P54-F87 HydrophobicContact CB-CE1 4.08Å; P54-F87 HydrophobicContact CB-CG 4.44Å; P54-F87 HydrophobicContact CG-CB 3.8Å; P54-F87 HydrophobicContact CG-CD1 3.49Å; P54-F87 VanDerWaalsContact CG-CD1 3.49Å; P54-F87 HydrophobicContact CG-CD2 4.46Å; P54-F87 HydrophobicContact CG-CE1 4.15Å; P54-F87 HydrophobicContact CG-CG 3.67Å; Y56-F87 HydrophobicContact CD2-CE1 4.27Å; Y56-F87 HydrophobicContact CD2-CZ 4.26Å; Y56-F87 HydrophobicContact CE2-CE1 4.07Å; Y56-F87 HydrophobicContact CE2-CZ 4.27Å; L61-F87 HydrophobicContact CD2-CD2 4.02Å; L61-F87 HydrophobicContact CD2-CE2 3.46Å; L61-F87 VanDerWaalsContact CD2-CE2 3.46Å; L61-F87 HydrophobicContact CD2-CZ 3.83Å; M64-F87 HydrophobicContact CE-CZ 4.05Å; L83-F87 HydrophobicContact CD2-CD2 4.24Å; L83-F87 HydrophobicContact CD2-CE2 4.22Å; L83-F87 PolarHBondContact O-N 3.03Å; F87-F89 PolarHBondContact O-N 2.96Å; F87-F90 HydrophobicContact CB-CD2 3.82Å; F87-F90 HydrophobicContact CB-CE2 3.98Å; F87-F90 HydrophobicContact CD2-CD2 4.27Å; F87-F90 AromaticContact CD2-CE2 4Å; F87-F90 HydrophobicContact CD2-CE2 4Å; F87-F90 HydrophobicContact CG-CD2 4.47Å; F87-F90 HydrophobicContact CG-CE2 4.26Å; F87-F90 PolarHBondContact O-N 3.18Å; F87-F90 VanDerWaalsContact O-N 3.17Å
88P94.6Very high95.9Very high68 Ų6864.6 Ų64.644%0.44232%0.323SS..G310 helixtrans-56.4-26.1-179.3-28.336000115.1P51 F90 R91P51-P88 HydrophobicContact CB-CB 4.04Å; P51-P88 HydrophobicContact CG-CB 4.15Å; P88-F90 PolarHBondContact O-N 3.31Å; P88-R91 WeakPolarHBondContact O-CB 3.28Å; P88-R91 PolarHBondContact O-N 2.97Å; P88-R91 VanDerWaalsContact O-N 3.11Å
89F94.3Very high96Very high60 Ų6065.7 Ų65.726%0.26333%0.332SS..G310 helixtrans-52.7-34.6175.8176.1-99.8000114.2P51 K53 F87P51-F89 HydrophobicContact CB-CB 4.31Å; P51-F89 WeakPolarHBondContact O-CD2 3.21Å; K53-F89 HydrophobicContact CB-CD2 4.09Å; K53-F89 HydrophobicContact CB-CE2 3.85Å; K53-F89 HydrophobicContact CB-CZ 4.08Å; K53-F89 HydrophobicContact CD-CZ 4.2Å; K53-F89 HydrophobicContact CG-CD1 4.45Å; K53-F89 HydrophobicContact CG-CE1 4.06Å; K53-F89 HydrophobicContact CG-CE2 4.24Å; K53-F89 HydrophobicContact CG-CZ 3.95Å; F87-F89 PolarHBondContact O-N 2.96Å
90F95.7Very high95.9Very high2 Ų267.5 Ų67.51%0.00934%0.344CS..G310 helixtrans-86.5-5.6-177.4-59.4-66000114.2P54 Y58 L61 L83 Q84 F87 P88 W97P54-F90 HydrophobicContact CG-CE2 4.28Å; Y58-F90 HydrophobicContact CE1-CE1 4.4Å; L61-F90 HydrophobicContact CD1-CE2 4.21Å; L61-F90 HydrophobicContact CD1-CZ 3.71Å; L61-F90 HydrophobicContact CD2-CE2 4.39Å; L83-F90 HydrophobicContact CB-CB 4.45Å; L83-F90 HydrophobicContact CB-CD2 3.72Å; L83-F90 HydrophobicContact CB-CE2 4.2Å; L83-F90 HydrophobicContact CB-CG 4.13Å; L83-F90 HydrophobicContact CD2-CE2 4.34Å; L83-F90 WeakPolarHBondContact O-CD2 3.41Å; Q84-F90 HydrophobicContact CG-CB 4.06Å; Q84-F90 WeakPolarHBondContact CG-O 3.42Å; F87-F90 HydrophobicContact CB-CD2 3.82Å; F87-F90 HydrophobicContact CB-CE2 3.98Å; F87-F90 HydrophobicContact CD2-CD2 4.27Å; F87-F90 AromaticContact CD2-CE2 4Å; F87-F90 HydrophobicContact CD2-CE2 4Å; F87-F90 HydrophobicContact CG-CD2 4.47Å; F87-F90 HydrophobicContact CG-CE2 4.26Å; F87-F90 PolarHBondContact O-N 3.18Å; F87-F90 VanDerWaalsContact O-N 3.17Å; P88-F90 PolarHBondContact O-N 3.31Å; F90-W97 HydrophobicContact CB-CD2 4.39Å; F90-W97 HydrophobicContact CB-CH2 4.26Å; F90-W97 HydrophobicContact CB-CZ2 3.94Å; F90-W97 HydrophobicContact CD1-CB 4.05Å; F90-W97 AromaticContact CD1-CD2 3.52Å; F90-W97 HydrophobicContact CD1-CD2 3.52Å; F90-W97 AromaticContact CD1-CE2 3.97Å; F90-W97 AromaticContact CD1-CE3 3.8Å; F90-W97 HydrophobicContact CD1-CE3 3.8Å; F90-W97 AromaticContact CD1-CG 3.63Å; F90-W97 HydrophobicContact CD1-CG 3.63Å; F90-W97 HydrophobicContact CD1-CZ3 4.44Å; F90-W97 HydrophobicContact CE1-CB 4.05Å; F90-W97 HydrophobicContact CE1-CD2 4.27Å; F90-W97 HydrophobicContact CE1-CE3 4.35Å; F90-W97 HydrophobicContact CE1-CG 4.15Å; F90-W97 HydrophobicContact CG-CD2 4.33Å; F90-W97 HydrophobicContact CG-CE3 4.46Å; F90-W97 WeakPolarHBondContact O-CZ2 3.32Å
91R94.7Very high96Very high150 Ų15066.2 Ų66.257%0.56634%0.339SS*.G310 helixtrans-81.3-9.7-177.6-57.4-179.6-172.4170.20.8114.3Q84 S85 P88Q84-R91 HydrophobicContact CB-CG 4.37Å; Q84-R91 WeakPolarHBondContact O-CG 3.43Å; Q84-R91 PolarHBondContact O-NE 3.02Å; S85-R91 PolarHBondContact O-NH2 2.92Å; P88-R91 WeakPolarHBondContact O-CB 3.28Å; P88-R91 PolarHBondContact O-N 2.97Å; P88-R91 VanDerWaalsContact O-N 3.11Å
92G90.9Very high96Very high39 Ų3966.1 Ų66.140%0.40233%0.334SS..SBendtrans-71.8168.9-176.800000114.1Y94 Q95G92-Y94 PolarHBondContact O-N 3.12Å; G92-Q95 PolarHBondContact O-NE2 2.92Å
93S92.4Very high96Very high122 Ų12268.9 Ų68.985%0.85335%0.347SS*.SBendtrans-60.4-30.9176.155.20000113.2Q95S93-Q95 WeakPolarHBondContact O-CG 3.43Å; S93-Q95 PolarHBondContact O-N 3.02Å; S93-Q95 PolarHBondContact O-NE2 3.2Å; S93-Q95 VanDerWaalsContact O-NE2 3.14Å
94Y93.3Very high96Very high164 Ų16470.1 Ų70.164%0.64335%0.354SS*.  trans-65.1115.7177.3177.1-108.6000112.4G92 W97G92-Y94 PolarHBondContact O-N 3.12Å; Y94-W97 PolarHBondContact O-NE1 2.77Å
95Q95.4Very high96.1Very high76 Ų7667.5 Ų67.536%0.35534%0.341SS..  trans-102.11.5-177.8-59.3-52.5-54.200114.7G92 S93 W97 K98G92-Q95 PolarHBondContact O-NE2 2.92Å; S93-Q95 WeakPolarHBondContact O-CG 3.43Å; S93-Q95 PolarHBondContact O-N 3.02Å; S93-Q95 PolarHBondContact O-NE2 3.2Å; S93-Q95 VanDerWaalsContact O-NE2 3.14Å; Q95-W97 PolarHBondContact O-N 3.26Å; Q95-W97 VanDerWaalsContact O-N 3.11Å; Q95-K98 HydrophobicContact CB-CD 4.43Å; Q95-K98 VanDerWaalsContact O-CB 3.29Å; Q95-K98 WeakPolarHBondContact O-CB 3.37Å; Q95-K98 PolarHBondContact O-N 2.68Å
96G96.3Very high96.1Very high24 Ų2468.1 Ų68.125%0.24735%0.346CS..THydrogen-bonded Turntrans-60-27-174.100000114.3K98 N99 S100G96-K98 PolarHBondContact O-N 2.74Å; G96-N99 VanDerWaalsContact O-CB 3.31Å; G96-N99 WeakPolarHBondContact O-CB 3.44Å; G96-N99 PolarHBondContact O-N 2.77Å; G96-S100 PolarHBondContact O-N 2.93Å
97W96.9Very high96.1Very high3 Ų364.7 Ų64.71%0.01134%0.34CS..Hα-helixtrans-58.6-30.4172.263.1-96.2000113.3Y58 Y80 L83 Q84 F90 Y94 Q95 N99 S100 V101Y58-W97 HydrophobicContact CE1-CB 4.45Å; Y80-W97 HydrophobicContact CD1-CH2 4.19Å; Y80-W97 AromaticContact CD1-CZ3 3.72Å; Y80-W97 HydrophobicContact CD1-CZ3 3.72Å; Y80-W97 HydrophobicContact CE1-CZ3 4.35Å; Y80-W97 HydrophobicContact CG-CH2 4.3Å; Y80-W97 HydrophobicContact CG-CZ3 4.29Å; L83-W97 HydrophobicContact CD1-CZ3 4.29Å; Q84-W97 HydrophobicContact CG-CH2 4.14Å; Q84-W97 HydrophobicContact CG-CZ2 4.11Å; F90-W97 HydrophobicContact CB-CD2 4.39Å; F90-W97 HydrophobicContact CB-CH2 4.26Å; F90-W97 HydrophobicContact CB-CZ2 3.94Å; F90-W97 HydrophobicContact CD1-CB 4.05Å; F90-W97 AromaticContact CD1-CD2 3.52Å; F90-W97 HydrophobicContact CD1-CD2 3.52Å; F90-W97 AromaticContact CD1-CE2 3.97Å; F90-W97 AromaticContact CD1-CE3 3.8Å; F90-W97 HydrophobicContact CD1-CE3 3.8Å; F90-W97 AromaticContact CD1-CG 3.63Å; F90-W97 HydrophobicContact CD1-CG 3.63Å; F90-W97 HydrophobicContact CD1-CZ3 4.44Å; F90-W97 HydrophobicContact CE1-CB 4.05Å; F90-W97 HydrophobicContact CE1-CD2 4.27Å; F90-W97 HydrophobicContact CE1-CE3 4.35Å; F90-W97 HydrophobicContact CE1-CG 4.15Å; F90-W97 HydrophobicContact CG-CD2 4.33Å; F90-W97 HydrophobicContact CG-CE3 4.46Å; F90-W97 WeakPolarHBondContact O-CZ2 3.32Å; Y94-W97 PolarHBondContact O-NE1 2.77Å; Q95-W97 PolarHBondContact O-N 3.26Å; Q95-W97 VanDerWaalsContact O-N 3.11Å; W97-N99 PolarHBondContact O-N 2.96Å; W97-S100 WeakPolarHBondContact O-CB 3.46Å; W97-S100 PolarHBondContact O-N 3.28Å; W97-S100 VanDerWaalsContact O-N 3.14Å; W97-V101 HydrophobicContact CE3-CG2 4.15Å; W97-V101 WeakPolarHBondContact O-CG2 3.29Å; W97-V101 PolarHBondContact O-N 2.92Å
98K97.8Very high96.2Very high49 Ų4964.9 Ų64.921%0.21334%0.343CS..Hα-helixtrans-62.2-29.9175.3-72.4-177.7169.5157.70112Y80 Q95 G96 R102Y80-K98 HydrophobicContact CD1-CG 4.05Å; Y80-K98 HydrophobicContact CD2-CD 4.02Å; Y80-K98 HydrophobicContact CD2-CG 4.31Å; Y80-K98 HydrophobicContact CE1-CB 3.9Å; Y80-K98 HydrophobicContact CE1-CD 4.48Å; Y80-K98 HydrophobicContact CE1-CG 3.79Å; Y80-K98 HydrophobicContact CE2-CB 4.34Å; Y80-K98 HydrophobicContact CE2-CD 3.87Å; Y80-K98 HydrophobicContact CE2-CG 4.07Å; Y80-K98 HydrophobicContact CG-CD 4.38Å; Y80-K98 HydrophobicContact CG-CG 4.28Å; Y80-K98 PolarHBondContact OH-O 3.36Å; Y80-K98 VanDerWaalsContact OH-O 3.12Å; Q95-K98 HydrophobicContact CB-CD 4.43Å; Q95-K98 VanDerWaalsContact O-CB 3.29Å; Q95-K98 WeakPolarHBondContact O-CB 3.37Å; Q95-K98 PolarHBondContact O-N 2.68Å; G96-K98 PolarHBondContact O-N 2.74Å; K98-R102 WeakPolarHBondContact O-CG 3.42Å; K98-R102 PolarHBondContact O-N 2.8Å
99N98.1Very high96.2Very high96 Ų9670 Ų7051%0.51336%0.36SS..Hα-helixtrans-71.2-45.4173.8-161.339.1000111.2G96 W97 V101 R102 H103G96-N99 VanDerWaalsContact O-CB 3.31Å; G96-N99 WeakPolarHBondContact O-CB 3.44Å; G96-N99 PolarHBondContact O-N 2.77Å; W97-N99 PolarHBondContact O-N 2.96Å; N99-V101 VanDerWaalsContact C-N 3.28Å; N99-V101 PolarHBondContact O-N 3.14Å; N99-R102 PolarHBondContact O-N 3.13Å; N99-R102 PolarHBondContact OD1-NH2 2.9Å; N99-H103 WeakPolarHBondContact O-CB 3.15Å; N99-H103 PolarHBondContact O-N 3.38Å
100S97.9Very high96.3Very high38 Ų3868.2 Ų68.227%0.26636%0.356SS..Hα-helixtrans-58.4-39174.9-51.30000112.5G96 W97 N104G96-S100 PolarHBondContact O-N 2.93Å; W97-S100 WeakPolarHBondContact O-CB 3.46Å; W97-S100 PolarHBondContact O-N 3.28Å; W97-S100 VanDerWaalsContact O-N 3.14Å; S100-N104 WeakPolarHBondContact O-CB 3.48Å; S100-N104 PolarHBondContact O-N 2.81Å; S100-N104 PolarHBondContact O-ND2 3.3Å
101V98.2Very high96.4Very high0 Ų068.6 Ų68.60%036%0.357CS..Hα-helixtrans-62.4-50.5174.51710000111.4Y58 I62 L76 I79 Y80 L83 W97 N99 H103 N104 L105Y58-V101 HydrophobicContact CD1-CG2 4.21Å; I62-V101 HydrophobicContact CD1-CG1 4.22Å; I62-V101 HydrophobicContact CG1-CG1 4.27Å; L76-V101 HydrophobicContact CD1-CG1 4.1Å; I79-V101 HydrophobicContact CG2-CG1 3.98Å; Y80-V101 HydrophobicContact CD1-CG1 4.3Å; Y80-V101 HydrophobicContact CE1-CB 4.05Å; Y80-V101 HydrophobicContact CE1-CG1 3.84Å; L83-V101 HydrophobicContact CD1-CG2 3.97Å; W97-V101 HydrophobicContact CE3-CG2 4.15Å; W97-V101 WeakPolarHBondContact O-CG2 3.29Å; W97-V101 PolarHBondContact O-N 2.92Å; N99-V101 VanDerWaalsContact C-N 3.28Å; N99-V101 PolarHBondContact O-N 3.14Å; V101-H103 VanDerWaalsContact C-N 3.34Å; V101-H103 PolarHBondContact O-N 2.8Å; V101-N104 PolarHBondContact O-N 3.2Å; V101-L105 HydrophobicContact CG1-CD1 4.16Å; V101-L105 WeakPolarHBondContact O-CG 3.2Å; V101-L105 PolarHBondContact O-N 3.07Å
102R98.3Very high96.5Very high112 Ų11264.6 Ų64.642%0.42335%0.346SS..Hα-helixtrans-57.5-47.3177.4-71.8-175.5-56.1-1027.5112.1L76 Y80 K98 N99 N104 L105 S106L76-R102 HydrophobicContact CD1-CG 3.94Å; L76-R102 HydrophobicContact CD2-CG 3.78Å; Y80-R102 WeakPolarHBondContact OH-CG 3.3Å; Y80-R102 PolarHBondContact OH-NH1 3.09Å; K98-R102 WeakPolarHBondContact O-CG 3.42Å; K98-R102 PolarHBondContact O-N 2.8Å; N99-R102 PolarHBondContact O-N 3.13Å; N99-R102 PolarHBondContact OD1-NH2 2.9Å; R102-N104 VanDerWaalsContact C-N 3.34Å; R102-N104 PolarHBondContact O-N 3.15Å; R102-L105 PolarHBondContact O-N 2.81Å; R102-S106 PolarHBondContact O-N 2.95Å; R102-S106 PolarHBondContact O-OG 3.49Å
103H98.3Very high96.8Very high101 Ų10168.5 Ų68.547%0.46835%0.352SS..Hα-helixtrans-60.8-40.6178.5169.671.3000112.4N99 V101 S106 L107N99-H103 WeakPolarHBondContact O-CB 3.15Å; N99-H103 PolarHBondContact O-N 3.38Å; V101-H103 VanDerWaalsContact C-N 3.34Å; V101-H103 PolarHBondContact O-N 2.8Å; H103-S106 PolarHBondContact O-N 2.97Å; H103-S106 PolarHBondContact O-OG 2.94Å; H103-S106 VanDerWaalsContact O-OG 3.09Å; H103-L107 WeakPolarHBondContact CE1-CD1 3.34Å; H103-L107 WeakPolarHBondContact O-CB 3.49Å; H103-L107 PolarHBondContact O-N 3.5Å
104N98.3Very high97Very high25 Ų2565.2 Ų65.213%0.13433%0.325CS..Hα-helixtrans-70.1-34.5178.4-83.7-104000112.6I62 S100 V101 R102 S106 N108I62-N104 HydrophobicContact CD1-CB 3.97Å; S100-N104 WeakPolarHBondContact O-CB 3.48Å; S100-N104 PolarHBondContact O-N 2.81Å; S100-N104 PolarHBondContact O-ND2 3.3Å; V101-N104 PolarHBondContact O-N 3.2Å; R102-N104 VanDerWaalsContact C-N 3.34Å; R102-N104 PolarHBondContact O-N 3.15Å; N104-S106 VanDerWaalsContact C-N 3.32Å; N104-N108 PolarHBondContact O-N 3.33Å; N104-N108 PolarHBondContact O-ND2 3.14Å; N104-N108 PolarHBondContact OD1-ND2 3.12Å
105L98.2Very high97Very high4 Ų462.4 Ų62.42%0.02133%0.327CS..Hα-helixtrans-63.6-35.4173.7-72.2167.4000112.5I62 L76 I79 V101 R102 F111 W127I62-L105 HydrophobicContact CD1-CD2 4.17Å; I62-L105 HydrophobicContact CD1-CG 4.05Å; I62-L105 HydrophobicContact CG2-CD2 3.72Å; L76-L105 HydrophobicContact CD1-CD1 3.63Å; I79-L105 HydrophobicContact CD1-CD1 4.19Å; I79-L105 HydrophobicContact CD1-CD2 4.24Å; V101-L105 HydrophobicContact CG1-CD1 4.16Å; V101-L105 WeakPolarHBondContact O-CG 3.2Å; V101-L105 PolarHBondContact O-N 3.07Å; R102-L105 PolarHBondContact O-N 2.81Å; L105-F111 HydrophobicContact CD2-CB 4.07Å; L105-F111 HydrophobicContact CD2-CD1 4.4Å; L105-F111 HydrophobicContact CD2-CD2 4.15Å; L105-F111 HydrophobicContact CD2-CG 3.94Å; L105-W127 HydrophobicContact CB-CD2 4.23Å; L105-W127 HydrophobicContact CB-CE3 4.16Å; L105-W127 HydrophobicContact CB-CH2 4.02Å; L105-W127 HydrophobicContact CB-CZ2 4.11Å; L105-W127 HydrophobicContact CB-CZ3 4.05Å; L105-W127 HydrophobicContact CD1-CD2 4.35Å; L105-W127 HydrophobicContact CD1-CG 4.38Å; L105-W127 HydrophobicContact CD2-CB 4.13Å; L105-W127 HydrophobicContact CD2-CD2 3.89Å; L105-W127 HydrophobicContact CD2-CE3 4.03Å; L105-W127 HydrophobicContact CD2-CG 3.94Å; L105-W127 HydrophobicContact CG-CD2 4.39Å; L105-W127 WeakPolarHBondContact O-CZ3 3.43Å
106S97.5Very high96.6Very high91 Ų9160.9 Ų60.964%0.63632%0.319SS*.Hα-helixtrans-89.5-21.9179.157.80000114.8R102 H103 N104R102-S106 PolarHBondContact O-N 2.95Å; R102-S106 PolarHBondContact O-OG 3.49Å; H103-S106 PolarHBondContact O-N 2.97Å; H103-S106 PolarHBondContact O-OG 2.94Å; H103-S106 VanDerWaalsContact O-OG 3.09Å; N104-S106 VanDerWaalsContact C-N 3.32Å
107L96.9Very high95.9Very high104 Ų10462.3 Ų62.355%0.54533%0.333SS..Hα-helixtrans-89.8-33.3-175.2179.8147.7000113.6H103H103-L107 WeakPolarHBondContact CE1-CD1 3.34Å; H103-L107 WeakPolarHBondContact O-CB 3.49Å; H103-L107 PolarHBondContact O-N 3.5Å
108N96.3Very high94.7Very high35 Ų3571.1 Ų71.119%0.18738%0.38CS..  trans-104.2126.5-172.7-55.1-91.1000110.3I59 N104 C110 F111I59-N108 VanDerWaalsContact CD1-OD1 3.28Å; I59-N108 WeakPolarHBondContact CD1-OD1 3.48Å; N104-N108 PolarHBondContact O-N 3.33Å; N104-N108 PolarHBondContact O-ND2 3.14Å; N104-N108 PolarHBondContact OD1-ND2 3.12Å; N108-C110 PolarHBondContact O-N 3.12Å; N108-C110 VanDerWaalsContact O-N 3.07Å; N108-F111 HydrophobicContact CB-CD2 4.43Å; N108-F111 PolarHBondContact O-N 2.91Å; N108-F111 VanDerWaalsContact O-N 3.13Å
109E95Very high93.5Very high174 Ų17472.2 Ų72.281%0.81341%0.405SS*.THydrogen-bonded Turntrans-59.5-20177.5-62.6173146.300113.1F111E109-F111 PolarHBondContact O-N 3.11Å
110C95.6Very high92.4Very high24 Ų2476.9 Ų76.916%0.16242%0.415CS..THydrogen-bonded Turntrans-56.2-14.8172.3-50.50000114.5N108 I129 D130 S133N108-C110 PolarHBondContact O-N 3.12Å; N108-C110 VanDerWaalsContact O-N 3.07Å; C110-I129 VanDerWaalsContact O-CA 3.32Å; C110-I129 WeakPolarHBondContact O-CA 3.21Å; C110-D130 PolarHBondContact O-N 3.06Å; C110-S133 WeakPolarHBondContact CA-OG 3.38Å
111F97.8Very high91.2Very high10 Ų1081.4 Ų81.44%0.04444%0.444CS..EExtended strand (participates in β ladder)trans-121.6117.7178.1-55-59000111.4I59 I62 V63 I66 L105 N108 E109 W127 T128 I129I59-F111 HydrophobicContact CB-CE2 4.4Å; I59-F111 HydrophobicContact CB-CZ 4.4Å; I59-F111 HydrophobicContact CG1-CE2 4.47Å; I59-F111 HydrophobicContact CG2-CE2 4.02Å; I59-F111 HydrophobicContact CG2-CZ 3.81Å; I62-F111 HydrophobicContact CB-CE1 3.96Å; I62-F111 HydrophobicContact CB-CE2 4.25Å; I62-F111 HydrophobicContact CB-CZ 3.62Å; I62-F111 HydrophobicContact CD1-CE2 4.02Å; I62-F111 HydrophobicContact CD1-CZ 4.26Å; I62-F111 HydrophobicContact CG2-CD1 3.88Å; I62-F111 HydrophobicContact CG2-CE1 3.38Å; I62-F111 HydrophobicContact CG2-CE2 4.13Å; I62-F111 HydrophobicContact CG2-CG 4.45Å; I62-F111 HydrophobicContact CG2-CZ 3.52Å; V63-F111 HydrophobicContact CG2-CE1 3.76Å; V63-F111 HydrophobicContact CG2-CZ 3.92Å; I66-F111 HydrophobicContact CD1-CD1 4.05Å; I66-F111 HydrophobicContact CD1-CE1 4.23Å; L105-F111 HydrophobicContact CD2-CB 4.07Å; L105-F111 HydrophobicContact CD2-CD1 4.4Å; L105-F111 HydrophobicContact CD2-CD2 4.15Å; L105-F111 HydrophobicContact CD2-CG 3.94Å; N108-F111 HydrophobicContact CB-CD2 4.43Å; N108-F111 PolarHBondContact O-N 2.91Å; N108-F111 VanDerWaalsContact O-N 3.13Å; E109-F111 PolarHBondContact O-N 3.11Å; F111-W127 HydrophobicContact CB-CE3 4.1Å; F111-W127 HydrophobicContact CB-CZ3 4.47Å; F111-T128 WeakPolarHBondContact CA-O 3.43Å; F111-I129 HydrophobicContact CE1-CG1 4.46Å
112I97.4Very high90.3Very high66 Ų6683.8 Ų83.834%0.33847%0.468SS..EExtended strand (participates in β ladder)trans-105.4141.6176.662176.3000111.2W127 T128 D130I112-W127 WeakPolarHBondContact O-CA 3.36Å; I112-T128 HydrophobicContact CD1-CG2 3.73Å; I112-T128 HydrophobicContact CG1-CG2 3.34Å; I112-T128 PolarHBondContact N-O 3.3Å; I112-T128 PolarHBondContact O-N 3.04Å; I112-T128 VanDerWaalsContact O-N 3.13Å; I112-D130 HydrophobicContact CG2-CB 4.12Å
113K97.4Very high89.7Confident120 Ų12088.1 Ų88.152%0.52249%0.49SS..EExtended strand (participates in β ladder)trans-91.4113-177-179.8-171.5167.8-163.10109.7H125 W127K113-H125 WeakPolarHBondContact CE-CD2 3.34Å; K113-H125 WeakPolarHBondContact CE-ND1 3.44Å; K113-H125 VanDerWaalsContact CE-NE2 3.28Å; K113-H125 WeakPolarHBondContact CE-NE2 3.43Å; K113-H125 HydrophobicContact CG-CB 3.89Å; 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 4.36Å; K113-W127 HydrophobicContact CG-CZ2 4.33Å
114L95.4Very high89.3Confident53 Ų5385.5 Ų85.528%0.27749%0.49SS..EExtended strand (participates in β ladder)trans-94.9138.5178.3-61.1178.4000111.6Y126 T128L114-Y126 PolarHBondContact N-O 2.93Å; L114-Y126 PolarHBondContact O-N 3.21Å; L114-T128 HydrophobicContact CD1-CG2 3.63Å; L114-T128 HydrophobicContact CD2-CG2 4.24Å; L114-T128 HydrophobicContact CG-CG2 3.86Å
115P93.1Very high89.1Confident105 Ų10588 Ų8868%0.68250%0.501SS*.PPolyproline II helixtrans-64.2150.6172.428.6-34.3000111
116K87.5Confident89.1Confident45 Ų4590.5 Ų90.520%0.19651%0.51CS..PPolyproline II helixtrans-89.7136.2166.9-65.2-177.470.3-178.10108.3L118 G122 G124 Y126K116-L118 PolarHBondContact O-N 3.14Å; K116-G122 PolarHBondContact NZ-O 2.97Å; K116-G124 WeakPolarHBondContact CD-O 3.46Å; K116-Y126 HydrophobicContact CG-CD2 3.81Å; K116-Y126 HydrophobicContact CG-CE2 3.89Å
117G82.1Confident89.1Confident53 Ų5388.1 Ų88.155%0.54649%0.488SS..PPolyproline II helixtrans-57.4134.5176.200000111.4G119 R120G117-G119 PolarHBondContact O-N 3.47Å; G117-R120 PolarHBondContact O-N 3.29Å
118L71.6Confident89.2Confident188 Ų18884.5 Ų84.598%0.98447%0.47SS*.THydrogen-bonded Turntrans-60.2122.2175.2-66.180.8000107.9K116K116-L118 PolarHBondContact O-N 3.14Å
119G73.2Confident89.2Confident72 Ų7283.1 Ų83.174%0.74246%0.462SS*.THydrogen-bonded Turntrans113.3-5.4-174.400000115.9G117 P121G117-G119 PolarHBondContact O-N 3.47Å; G119-P121 WeakPolarHBondContact O-CD 3.47Å
120R75.1Confident89.3Confident194 Ų19476.9 Ų76.973%0.73244%0.435SS*.  trans-102.189167.5-71.6-91.6-174.3-98.60.3110G117 G122G117-R120 PolarHBondContact O-N 3.29Å; R120-G122 PolarHBondContact O-N 3.02Å; R120-G122 VanDerWaalsContact O-N 3.13Å
121P72.3Confident89.2Confident134 Ų13480.2 Ų80.287%0.8746%0.456SS*.  trans-61.8117.7179.726.1-34.2000110G119G119-P121 WeakPolarHBondContact O-CD 3.47Å
122G79.8Confident89Confident49 Ų4983.1 Ų83.151%0.50548%0.481SS..  trans170.8144.7176.200000112.9K116 R120K116-G122 PolarHBondContact NZ-O 2.97Å; R120-G122 PolarHBondContact O-N 3.02Å; R120-G122 VanDerWaalsContact O-N 3.13Å
123K84.3Confident88.6Confident204 Ų20480.1 Ų80.189%0.88747%0.467SS*.SBendtrans-59.8147.7-173.3-167.9168.1-175.6167.40113.6
124G90.5Very high88.2Confident45 Ų4577.7 Ų77.746%0.46446%0.457SS..SBendtrans82.7-165.9166.700000115.3K116K116-G124 WeakPolarHBondContact CD-O 3.46Å
125H95.1Very high87.9Confident79 Ų7981.7 Ų81.737%0.36647%0.473SS..  trans-126162.6178.1-6774.5000108.9K113K113-H125 WeakPolarHBondContact CE-CD2 3.34Å; K113-H125 WeakPolarHBondContact CE-ND1 3.44Å; K113-H125 VanDerWaalsContact CE-NE2 3.28Å; K113-H125 WeakPolarHBondContact CE-NE2 3.43Å; K113-H125 HydrophobicContact CG-CB 3.89Å
126Y96.8Very high87.5Confident56 Ų5681.1 Ų81.122%0.2246%0.462CS..EExtended strand (participates in β ladder)trans-80.6150.1167.7-72.1-66.3000110R73 T75 L114 K116R73-Y126 HydrophobicContact CG-CD1 4.12Å; R73-Y126 HydrophobicContact CG-CG 4.33Å; T75-Y126 HydrophobicContact CG2-CD1 3.75Å; T75-Y126 HydrophobicContact CG2-CE1 3.72Å; L114-Y126 PolarHBondContact N-O 2.93Å; L114-Y126 PolarHBondContact O-N 3.21Å; K116-Y126 HydrophobicContact CG-CD2 3.81Å; K116-Y126 HydrophobicContact CG-CE2 3.89Å
127W98.1Very high87.3Confident41 Ų4180 Ų8016%0.15546%0.457CS..EExtended strand (participates in β ladder)trans-122.4133.7170.8-65.590.9000108.2R73 L74 I79 L105 F111 I112 K113R73-W127 CarbonylContact C-O 3.56Å; R73-W127 VanDerWaalsContact CA-O 3.24Å; R73-W127 WeakPolarHBondContact CA-O 3.45Å; L74-W127 PolarHBondContact N-O 3.18Å; L74-W127 PolarHBondContact O-N 3.33Å; I79-W127 HydrophobicContact CD1-CB 4.49Å; L105-W127 HydrophobicContact CB-CD2 4.23Å; L105-W127 HydrophobicContact CB-CE3 4.16Å; L105-W127 HydrophobicContact CB-CH2 4.02Å; L105-W127 HydrophobicContact CB-CZ2 4.11Å; L105-W127 HydrophobicContact CB-CZ3 4.05Å; L105-W127 HydrophobicContact CD1-CD2 4.35Å; L105-W127 HydrophobicContact CD1-CG 4.38Å; L105-W127 HydrophobicContact CD2-CB 4.13Å; L105-W127 HydrophobicContact CD2-CD2 3.89Å; L105-W127 HydrophobicContact CD2-CE3 4.03Å; L105-W127 HydrophobicContact CD2-CG 3.94Å; L105-W127 HydrophobicContact CG-CD2 4.39Å; L105-W127 WeakPolarHBondContact O-CZ3 3.43Å; F111-W127 HydrophobicContact CB-CE3 4.1Å; F111-W127 HydrophobicContact CB-CZ3 4.47Å; I112-W127 WeakPolarHBondContact O-CA 3.36Å; 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 4.36Å; K113-W127 HydrophobicContact CG-CZ2 4.33Å
128T97.9Very high87.1Confident28 Ų2884.8 Ų84.817%0.17247%0.465CS..EExtended strand (participates in β ladder)trans-124.8165.1170.9-177.30000109.1K72 F111 I112 L114K72-T128 PolarHBondContact O-OG1 3.11Å; F111-T128 WeakPolarHBondContact CA-O 3.43Å; I112-T128 HydrophobicContact CD1-CG2 3.73Å; I112-T128 HydrophobicContact CG1-CG2 3.34Å; I112-T128 PolarHBondContact N-O 3.3Å; I112-T128 PolarHBondContact O-N 3.04Å; I112-T128 VanDerWaalsContact O-N 3.13Å; L114-T128 HydrophobicContact CD1-CG2 3.63Å; L114-T128 HydrophobicContact CD2-CG2 4.24Å; L114-T128 HydrophobicContact CG-CG2 3.86Å
129I97.1Very high87.2Confident5 Ų584.6 Ų84.63%0.02646%0.459CS..EExtended strand (participates in β ladder)trans-71.6141.8166.2-62155.1000107.8V63 I66 Q67 C110 F111 E134V63-I129 HydrophobicContact CB-CD1 4.35Å; V63-I129 HydrophobicContact CG1-CD1 3.83Å; V63-I129 HydrophobicContact CG2-CD1 4.35Å; V63-I129 HydrophobicContact CG2-CG1 4.29Å; I66-I129 HydrophobicContact CB-CD1 4.12Å; I66-I129 HydrophobicContact CB-CG1 4.27Å; I66-I129 HydrophobicContact CD1-CG1 4.25Å; I66-I129 HydrophobicContact CG2-CD1 3.91Å; I66-I129 HydrophobicContact CG2-CG1 3.98Å; Q67-I129 HydrophobicContact CG-CD1 3.73Å; C110-I129 VanDerWaalsContact O-CA 3.32Å; C110-I129 WeakPolarHBondContact O-CA 3.21Å; F111-I129 HydrophobicContact CE1-CG1 4.46Å; I129-E134 HydrophobicContact CG2-CB 4.12Å
130D96.4Very high87.2Confident44 Ų4483.4 Ų83.424%0.23545%0.447CS..  trans-68.8123.3168.2177.42.4000109.5C110 I112 A132 S133 E134C110-D130 PolarHBondContact O-N 3.06Å; I112-D130 HydrophobicContact CG2-CB 4.12Å; D130-A132 PolarHBondContact O-N 2.79Å; D130-A132 VanDerWaalsContact O-N 3.14Å; D130-A132 PolarHBondContact OD1-N 3.45Å; D130-S133 WeakPolarHBondContact O-CA 3.47Å; D130-S133 PolarHBondContact O-N 3.23Å; D130-S133 PolarHBondContact O-OG 3.37Å; D130-E134 PolarHBondContact O-N 3.41Å; D130-E134 VanDerWaalsContact O-N 3.15Å
131P94.8Very high87.3Confident93 Ų9376.7 Ų76.760%0.60443%0.43SS*.Hα-helixtrans-50.2-34.8174.5-28.335.9000113.8S133 E134P131-S133 PolarHBondContact O-N 2.95Å; P131-S133 VanDerWaalsContact O-N 3.12Å; P131-E134 PolarHBondContact O-N 3.27Å
132A92.1Very high87.7Confident71 Ų7172.2 Ų72.259%0.58740%0.397SS*.Hα-helixtrans-68.2-8.2176.600000113.7D130 F135D130-A132 PolarHBondContact O-N 2.79Å; D130-A132 VanDerWaalsContact O-N 3.14Å; D130-A132 PolarHBondContact OD1-N 3.45Å; A132-F135 WeakPolarHBondContact O-CE1 3.31Å
133S90.1Very high87.4Confident4 Ų479.7 Ų79.73%0.02841%0.41CS..Hα-helixtrans-118.1-8.8177.576.30000114.4C110 D130 P131 F135 M136 F137C110-S133 WeakPolarHBondContact CA-OG 3.38Å; D130-S133 WeakPolarHBondContact O-CA 3.47Å; D130-S133 PolarHBondContact O-N 3.23Å; D130-S133 PolarHBondContact O-OG 3.37Å; P131-S133 PolarHBondContact O-N 2.95Å; P131-S133 VanDerWaalsContact O-N 3.12Å; S133-F135 VanDerWaalsContact C-N 3.31Å; S133-F135 PolarHBondContact O-N 2.92Å; S133-M136 WeakPolarHBondContact O-CB 3.13Å; S133-M136 WeakPolarHBondContact O-CG 3.49Å; S133-M136 PolarHBondContact O-N 3.09Å; S133-F137 WeakPolarHBondContact O-CD2 3.45Å
134E89.8Confident86.7Confident69 Ų6977.4 Ų77.432%0.32240%0.396SS..Hα-helixtrans-61.5-38.4-171-173.2154.9-146.400112.4I129 D130 P131 M136 F137 E138I129-E134 HydrophobicContact CG2-CB 4.12Å; D130-E134 PolarHBondContact O-N 3.41Å; D130-E134 VanDerWaalsContact O-N 3.15Å; P131-E134 PolarHBondContact O-N 3.27Å; E134-M136 PolarHBondContact O-N 3.19Å; E134-F137 PolarHBondContact O-N 2.83Å; E134-E138 PolarHBondContact O-N 3.32Å
135F87.5Confident85.6Confident137 Ų13784.8 Ų84.860%0.60141%0.409SS*.Hα-helixtrans-55.5-25.1176.176.9-96.9000113.9A132 S133 F137A132-F135 WeakPolarHBondContact O-CE1 3.31Å; S133-F135 VanDerWaalsContact C-N 3.31Å; S133-F135 PolarHBondContact O-N 2.92Å; F135-F137 PolarHBondContact O-N 3.19Å
136M84.8Confident84.1Confident93 Ų9386.7 Ų86.746%0.45843%0.429SS..Hα-helixtrans-69.1-13.8179.9-57.6-165.3-14500113.2S133 E134S133-M136 WeakPolarHBondContact O-CB 3.13Å; S133-M136 WeakPolarHBondContact O-CG 3.49Å; S133-M136 PolarHBondContact O-N 3.09Å; E134-M136 PolarHBondContact O-N 3.19Å
137F84.1Confident82.3Confident20 Ų2095.5 Ų95.59%0.08846%0.461CS..Hα-helixtrans-125.1-6.4-171.1-51.9-73.1000114I59 V63 S133 E134 F135 F142I59-F137 HydrophobicContact CG2-CE1 4.04Å; I59-F137 HydrophobicContact CG2-CZ 3.77Å; V63-F137 HydrophobicContact CB-CD1 4.41Å; V63-F137 HydrophobicContact CB-CG 4.39Å; V63-F137 HydrophobicContact CG1-CB 3.66Å; V63-F137 HydrophobicContact CG1-CD1 4.09Å; V63-F137 HydrophobicContact CG1-CD2 4.11Å; V63-F137 HydrophobicContact CG1-CG 3.69Å; V63-F137 HydrophobicContact CG2-CD1 4.05Å; V63-F137 HydrophobicContact CG2-CD2 3.95Å; V63-F137 HydrophobicContact CG2-CE1 4Å; V63-F137 HydrophobicContact CG2-CE2 3.89Å; V63-F137 HydrophobicContact CG2-CG 4.03Å; V63-F137 HydrophobicContact CG2-CZ 3.91Å; S133-F137 WeakPolarHBondContact O-CD2 3.45Å; E134-F137 PolarHBondContact O-N 2.83Å; F135-F137 PolarHBondContact O-N 3.19Å; F137-F142 HydrophobicContact CB-CE1 4.05Å; F137-F142 VanDerWaalsContact O-CZ 3.28Å; F137-F142 WeakPolarHBondContact O-CZ 3.28Å
138E78.5Confident80.4Confident155 Ų15596.4 Ų96.472%0.72448%0.484SS*.Hα-helixtrans-70.8-40.9-177.6-166.9167.3-161.200111.9E134 G140E134-E138 PolarHBondContact O-N 3.32Å; E138-G140 PolarHBondContact O-N 3.48Å
139E73.8Confident78.3Confident183 Ų183104.3 Ų104.386%0.85552%0.516SS*.THydrogen-bonded Turntrans-78.426.1-178.2-152.7-177.8-156.200113.9S141E139-S141 PolarHBondContact O-N 2.88Å; E139-S141 VanDerWaalsContact O-N 3.12Å
140G72.1Confident76.3Confident47 Ų47113.8 Ų113.849%0.48555%0.551SS.*SBendtrans68.210.9178.800000115.6E138 F142E138-G140 PolarHBondContact O-N 3.48Å; G140-F142 WeakPolarHBondContact O-CD2 3.34Å; G140-F142 PolarHBondContact O-N 3.3Å
141S77.2Confident74.2Confident54 Ų54122.5 Ų122.538%0.37858%0.581SS.*  trans-74.345.9-174.5-146.70000114.6E139 R143E139-S141 PolarHBondContact O-N 2.88Å; E139-S141 VanDerWaalsContact O-N 3.12Å; S141-R143 VanDerWaalsContact C-N 3.33Å; S141-R143 PolarHBondContact O-N 3.07Å
142F80.1Confident72.2Confident39 Ų39127 Ų12717%0.17159%0.591CS.*  trans-77.2-18.1-179.8-58.2-67.8000113.6Y56 A60 V63 M64 F137 G140Y56-F142 HydrophobicContact CD1-CB 3.81Å; Y56-F142 WeakPolarHBondContact CD1-O 3.44Å; Y56-F142 HydrophobicContact CE1-CB 3.79Å; A60-F142 HydrophobicContact CB-CB 4.17Å; A60-F142 HydrophobicContact CB-CD1 4.22Å; A60-F142 WeakPolarHBondContact CB-O 3.32Å; V63-F142 HydrophobicContact CG1-CE1 3.89Å; M64-F142 HydrophobicContact CG-CD1 3.91Å; M64-F142 HydrophobicContact CG-CE1 3.9Å; M64-F142 HydrophobicContact CG-CG 4.3Å; M64-F142 HydrophobicContact CG-CZ 4.27Å; M64-F142 HydrophobicContact SD-CG 4.36Å; F137-F142 HydrophobicContact CB-CE1 4.05Å; F137-F142 VanDerWaalsContact O-CZ 3.28Å; F137-F142 WeakPolarHBondContact O-CZ 3.28Å; G140-F142 WeakPolarHBondContact O-CD2 3.34Å; G140-F142 PolarHBondContact O-N 3.3Å
143R75.4Confident70.3Confident206 Ų206128.6 Ų128.678%0.77760%0.597SS**BIsolated β-bridgetrans-69.3137.6-179.3-65.8-177.771-143.54110.5S141 R145S141-R143 VanDerWaalsContact C-N 3.33Å; S141-R143 PolarHBondContact O-N 3.07Å; R143-R145 PolarHBondContact O-N 3.2Å
144R68.6Low68.7Low157 Ų157136.5 Ų136.559%0.59263%0.633SS**PPolyproline II helixtrans-65.7118.3178.3-60.9-173.866.8-164.9-1.1110.6
145R68.4Low67Low199 Ų199137.2 Ų137.275%0.75165%0.651SS**PPolyproline II helixtrans-57.5132.2165.2-66.4-178.6-176.5144.5-0.4109.3R143 R147R143-R145 PolarHBondContact O-N 3.2Å; R145-R147 PolarHBondContact O-N 3.42Å
146P63.3Low65.7Low119 Ų119139 Ų13977%0.77367%0.666SS**PPolyproline II helixtrans-57133.4174.3-25.434.7000111.5G148P146-G148 PolarHBondContact O-N 3.05Å
147R59.2Low64Low241 Ų241143.2 Ų143.291%0.90968%0.682SS**THydrogen-bonded Turntrans-69.9104.9172.3-77.1-165.7-174-98.68108.3R145R145-R147 PolarHBondContact O-N 3.42Å
148G56.5Low62.3Low60 Ų60147 Ų14762%0.61971%0.709SS**THydrogen-bonded Turntrans176.7-35.817600000114.1P146 R150P146-G148 PolarHBondContact O-N 3.05Å; G148-R150 PolarHBondContact O-N 3.42Å
149F53.7Low61Low194 Ų194147.3 Ų147.385%0.85171%0.712SS**G310 helixtrans-80.6-9.9-170.4-161.1-105.8000115.7R151F149-R151 PolarHBondContact O-N 3.4Å
150R55Low60Low204 Ų204148 Ų14877%0.7771%0.708SS**G310 helixtrans-86.76.8-172-101.4-80.5-177.5162.5-0.5115.9G148G148-R150 PolarHBondContact O-N 3.42Å
151R52.8Low59Low228 Ų228151.5 Ų151.586%0.8673%0.725SS**G310 helixtrans-84.2-11.9-178.4-79-160.9-68164.7-2.7116.2F149F149-R151 PolarHBondContact O-N 3.4Å
152K52.9Low58Low186 Ų186155.8 Ų155.881%0.80974%0.741SS**SBendtrans-88.9-19.8-175.4-68.7-169.3175.2-172.80115.4Q154K152-Q154 PolarHBondContact O-N 3.49Å
153C53.5Low56.7Low105 Ų105162.6 Ų162.671%0.70978%0.776SS**THydrogen-bonded Turntrans-88.94.1-173.8-530000115.4
154Q55.5Low55.5Low170 Ų170161.1 Ų161.179%0.79478%0.783SS**THydrogen-bonded Turntrans-104.7-1.9177.2-70.3-172.7-5.100113.6K152 L156K152-Q154 PolarHBondContact O-N 3.49Å; Q154-L156 VanDerWaalsContact C-N 3.3Å; Q154-L156 PolarHBondContact O-N 3.46Å
155A55.1Low54.7Low85 Ų85157 Ų15770%0.70279%0.789SS**SBendtrans-82.10.6-177.100000114.7
156L58.5Low53.8Low173 Ų173156 Ų15691%0.90680%0.798SS**  trans-112.143.3180-68.4173.8000112.3Q154Q154-L156 VanDerWaalsContact C-N 3.3Å; Q154-L156 PolarHBondContact O-N 3.46Å
157K50.3Low52.8Low183 Ų183154 Ų15480%0.79680%0.799SS**SBendtrans-97116.3153.5-75.6-171.4173.5-172.80107.3M159K157-M159 PolarHBondContact O-N 3.4Å
158P48.3Very low51.9Low100 Ų100151.3 Ų151.365%0.64979%0.794SS**  trans-66.2129.6-178.527.4-34.8000110.9Y160P158-Y160 HydrophobicContact CB-CD1 4.03Å; P158-Y160 HydrophobicContact CB-CE1 4.37Å; P158-Y160 HydrophobicContact CG-CD1 3.94Å; P158-Y160 HydrophobicContact CG-CE1 3.78Å; P158-Y160 PolarHBondContact O-N 3.4Å
159M50.7Low51.3Low161 Ų161156.6 Ų156.679%0.79381%0.808SS**  trans-76.682.8177.4-84.7-74.7-169.600110.9K157 M162K157-M159 PolarHBondContact O-N 3.4Å; M159-M162 HydrophobicContact CB-CE 4.22Å; M159-M162 HydrophobicContact CG-CE 4.46Å; M159-M162 HydrophobicContact SD-CE 4.02Å; M159-M162 HydrophobicContact SD-SD 4.14Å
160Y52.2Low50.5Low196 Ų196154.6 Ų154.677%0.76980%0.801SS**  trans-121.85.8170.867.3-103.5000114.9P158 M162P158-Y160 HydrophobicContact CB-CD1 4.03Å; P158-Y160 HydrophobicContact CB-CE1 4.37Å; P158-Y160 HydrophobicContact CG-CD1 3.94Å; P158-Y160 HydrophobicContact CG-CE1 3.78Å; P158-Y160 PolarHBondContact O-N 3.4Å; Y160-M162 PolarHBondContact O-N 3.06Å
161S52.4Low49.9Very low121 Ų121152 Ų15285%0.84680%0.802SS**THydrogen-bonded Turntrans-9328.6-176-169.10000114.8
162M54.5Low49.9Very low145 Ų145145.8 Ų145.871%0.71479%0.791SS**THydrogen-bonded Turntrans-142.327.6-174.665.2-171.3-179.300115.6M159 Y160M159-M162 HydrophobicContact CB-CE 4.22Å; M159-M162 HydrophobicContact CG-CE 4.46Å; M159-M162 HydrophobicContact SD-CE 4.02Å; M159-M162 HydrophobicContact SD-SD 4.14Å; Y160-M162 PolarHBondContact O-N 3.06Å
163M54Low48.9Very low182 Ų182144.4 Ų144.490%0.89779%0.788SS**  trans-13568.4172.4-167.570.9129.900110.7
164N50.7Low48Very low174 Ų174143.2 Ų143.293%0.9378%0.78SS**  trans-147.576.2169.5-153.377.3000109.9
165G50.7Low47.3Very low70 Ų70146 Ų14672%0.72279%0.785SS**  trans-172.629.2-168.100000116.7
166L50.5Low46.3Very low178 Ų178149.3 Ų149.393%0.93279%0.791SS**  trans-141.7135.4160.5-71.3179.6000107.7
167G41Very low45.3Very low77 Ų77150.8 Ų150.879%0.79479%0.79SS**  trans-94.5-178.4-159.300000116.1
168F40.4Very low44.5Very low186 Ų186150 Ų15082%0.81679%0.79SS**  trans-148.2110167.8-144.9-97.5000110.9H170F168-H170 HydrophobicContact CD1-CB 4.32Å; F168-H170 HydrophobicContact CE1-CB 3.87Å
169N44.7Very low43.9Very low171 Ų171149 Ų14991%0.91480%0.798SS**  trans-10890.2165.5-83.7-49.7000107.9
170H37.5Very low43.3Very low152 Ų152147.4 Ų147.470%0.70480%0.802SS**  trans-161.7116.6160.7-146.9-99.1000111.4F168F168-H170 HydrophobicContact CD1-CB 4.32Å; F168-H170 HydrophobicContact CE1-CB 3.87Å
171L42.7Very low42.5Very low149 Ų149141.5 Ų141.578%0.7880%0.801SS**  trans-88.1158.4154-131.789.8000106.8
172P51.3Low41.7Very low98 Ų98139.8 Ų139.864%0.63680%0.803SS**  -148172.757.541.4-21.4000118
173E32.6Very low40.7Very low157 Ų157136.2 Ų136.273%0.73480%0.803SS**  trans78.7126.6143.9-133.953.3-114.900123.2
174S34.4Very low40Very low80 Ų80136.1 Ų136.156%0.55981%0.805SS**  trans56.5124158.962.80000117.7
175Y40.6Very low39.2Very low227 Ų227133.3 Ų133.389%0.8980%0.799SS**  -155.9149.357.6-92.7-90000112.1
176N34.2Very low38.6Very low155 Ų155135.7 Ų135.783%0.82980%0.803SS**  trans-71.2135.5174.4-101.6-51.4000112.4
177F36.8Very low38.6Very low204 Ų204132.3 Ų132.390%0.89579%0.792SS**  trans-141.7138.8139.5-162.3-101.5000111.3
178Q35.2Very low38.9Very low168 Ų168134.7 Ų134.779%0.78579%0.793SS**  trans-104.3114.5-157.9-173.2164.1-3200111.1
179G35.5Very low38.7Very low79 Ų79132.9 Ų132.981%0.81479%0.792SS**  trans-130.996.4176.500000110.8
180S37.7Very low38.2Very low126 Ų126128.4 Ų128.488%0.88179%0.786SS**  trans-86148.3-177.8-172.40000111.9
181G34.9Very low38.3Very low72 Ų72129.2 Ų129.274%0.74280%0.795SS**  trans145.848.6156.300000121.4
182G35.3Very low37.8Very low86 Ų86127.8 Ų127.889%0.88780%0.798SS**  trans71.8153.515700000118.3
183G33.9Very low37.3Very low70 Ų70131 Ų13172%0.72281%0.808SS**  cis176.4168.3-5.900000112.2
184L39.6Very low37.4Very low179 Ų179130 Ų13094%0.93781%0.808SS**  trans77.9100.9169.4-49.1-177.3000118.5
185S34.3Very low37.5Very low115 Ų115132 Ų13280%0.80482%0.822SS**  trans-73.6166155.151.70000110.6
186C38.6Very low37.3Very low120 Ų120124.8 Ų124.881%0.81182%0.817SS**  -169.1177.470.564.60000112.6
187P50.5Low37.4Very low107 Ų107125.3 Ų125.370%0.69582%0.818SS**  trans-106.5174.7-150.641.7-38.5000116.4
188P46.4Very low37.5Very low127 Ų127119.1 Ų119.183%0.82581%0.812SS**  trans-84.3128.4162.833.1-31000112.7
189N37.3Very low37.7Very low149 Ų149118.3 Ų118.380%0.79781%0.809SS**  trans-43.6135.1-178.5-57-34.5000117.1
190G32.3Very low38Very low76 Ų76122.2 Ų122.278%0.78481%0.808SS**  trans-117.4124.5144.700000108.7
191L39.6Very low37.9Very low170 Ų170124 Ų12489%0.8981%0.808SS**  trans-115.2119.5175.5-73.7176.2000110
192S33.9Very low37.8Very low119 Ų119123.5 Ų123.583%0.83280%0.804SS**  trans-139.8116160.5179.50000106.8
193L39.3Very low38.1Very low165 Ų165127.9 Ų127.986%0.86480%0.8SS**  trans-148.5108.8163.3-167.769.1000110
194D34.6Very low38.2Very low137 Ų137132.2 Ų132.273%0.73381%0.806SS**  trans15.8129137.6-166.7-116.9000119.9
195S37.1Very low37.9Very low121 Ų121128.3 Ų128.385%0.84680%0.8SS**  trans-166.8128.5151.5-82.40000110.9
196G35.6Very low38Very low76 Ų76126.8 Ų126.878%0.78480%0.803SS**  trans119.586156.200000116.3G198G196-G198 PolarHBondContact O-N 3.38Å
197I38Very low37.8Very low166 Ų166128.5 Ų128.585%0.85180%0.804SS**  trans-61.7129.5169.3-66.9169.7000110.6M199I197-M199 HydrophobicContact CG2-CG 4.43Å
198G37.4Very low37.3Very low74 Ų74130.8 Ų130.876%0.76381%0.807SS**  trans-139.499.2176.100000112G196G196-G198 PolarHBondContact O-N 3.38Å
199M39.4Very low36.9Very low150 Ų150132.4 Ų132.474%0.73980%0.804SS**  trans-66.9159.2173.6-48.7158.2-85.400108.9I197I197-M199 HydrophobicContact CG2-CG 4.43Å
200M42.2Very low36.8Very low161 Ų161129.2 Ų129.279%0.79381%0.805SS**  cis-168.8179.840.8-60.1172.2-170.600110
201N36.7Very low37Very low163 Ų163135.2 Ų135.287%0.87282%0.816SS**  trans70.8134.2167.2-91.5-8.9000118.6
202G32.3Very low36.8Very low63 Ų63130.4 Ų130.465%0.64981%0.807SS**  cis159.4146.9-6.500000113.6
203H41.1Very low37Very low177 Ų177132.9 Ų132.982%0.81981%0.81SS**  trans80.7100.6168.2-71.4-87.4000121.1
204L35.4Very low36.9Very low161 Ų161130 Ų13084%0.84381%0.81SS**  -10.6159.9123-74.985.3000117.2
205A34.2Very low36.8Very low97 Ų97127.1 Ų127.180%0.80281%0.812SS**  cis-173.6161.7-14.300000107.9
206G35.2Very low36.9Very low84 Ų84131 Ų13187%0.86682%0.817SS**  trans179.9112.4173.300000113
207N36Very low36.8Very low155 Ų155132.5 Ų132.583%0.82982%0.815SS**  trans-114.9126.9-173.516991.3000111
208M39.9Very low36.6Very low155 Ų155133.8 Ų133.876%0.76482%0.82SS**  trans-167.8113.3149.6-171.9167.5179.200112.2
209E36.5Very low36.4Very low162 Ų162135.3 Ų135.376%0.75782%0.819SS**  trans27120.5137.5-59.5158.8170.800120
210G35.3Very low36.1Very low81 Ų81135.2 Ų135.284%0.83582%0.816SS**  trans-174.162.2177.900000116
211M37.6Very low35.8Very low203 Ų203135.7 Ų135.7100%182%0.821SS**  trans-33.9123.6172.9-171.9-179.8-62.600116.4
212G36Very low35.4Very low68 Ų68132.7 Ų132.770%0.70181%0.813SS**  trans163.378.9169.200000119.7
213L36.9Very low35.6Very low172 Ų172134.2 Ų134.290%0.90182%0.82SS**  trans35.8120.2147.7-59.1175.7000122.5
214A37Very low35.2Very low105 Ų105132.8 Ų132.887%0.86882%0.818SS**  trans64128133.900000122
215G34Very low35.3Very low75 Ų75132.3 Ų132.377%0.77382%0.816SS**  trans127.894.8152.300000114.9
216H38.9Very low35.3Very low203 Ų203130 Ų13094%0.9480%0.802SS**  trans-70.2139171.9-65.3-75.2000111.5
217S33.7Very low35.4Very low108 Ų108135.5 Ų135.576%0.75581%0.805SS**  trans-78139.2-177.842.30000113.1
218M33.9Very low35.6Very low192 Ų192133.9 Ų133.995%0.94681%0.806SS**  trans-117.5110155-98.8-73.3-176.500107.9
219S31.7Very low35.5Very low107 Ų107137.4 Ų137.475%0.74881%0.812SS**  trans-99148.6166.3-640000106.9
220H34Very low35.9Very low148 Ų148138.3 Ų138.369%0.68582%0.818SS**  cis-168.3147.610.2149-87.9000107.4
221L34.9Very low35.8Very low171 Ų171138.2 Ų138.290%0.89582%0.817SS**  trans-163.5102.5148.5-104.5148000109
222S29.5Very low35.9Very low100 Ų100134.3 Ų134.370%0.69981%0.81SS**  trans-83.2134.8-177.6-177.10000112.2
223A35.8Very low35.8Very low95 Ų95136.6 Ų136.679%0.78581%0.814SS**  trans-150.6126.8158.100000111.2
224N33.8Very low35.9Very low146 Ų146135.1 Ų135.178%0.78181%0.813SS**  trans95.2122.4157.5-154.434.6000120.5
225N36.6Very low35.7Very low152 Ų152133.7 Ų133.781%0.81381%0.808SS**  119.4141.1126-139.233.5000119
226G34.8Very low35.7Very low49 Ų49135.4 Ų135.451%0.50581%0.808SS.*  trans117132.2175.400000113.2
227H36.9Very low35.6Very low199 Ų199132.5 Ų132.592%0.92180%0.804SS**  cis-149.1165.59.8-77.2-91.1000113.1
228S39.1Very low35.6Very low121 Ų121131.5 Ų131.585%0.84681%0.812SS**  trans-96.9155.8-176.5-36.10000114
229Y39.7Very low35.5Very low228 Ų228126.4 Ų126.489%0.89481%0.808SS**  trans-148.8169.5142.675.8-96.1000112
230M43.8Very low35.5Very low181 Ų181130.1 Ų130.189%0.89281%0.813SS**  trans-97.7162.6-156.4-52.4-178.574.500115.7
231G33.8Very low35.7Very low79 Ų79133.3 Ų133.381%0.81482%0.821SS**  trans172.6111161.900000114.4
232S39.4Very low36.6Very low121 Ų121130.7 Ų130.785%0.84681%0.814SS**  trans-97.8142.9-179.3-57.50000113.2
233C34Very low37.3Very low117 Ų117132.8 Ų132.879%0.79181%0.813SS**  trans-163.4123.9138.645.10000113.9
234T38.6Very low37.6Very low141 Ų141136.9 Ų136.987%0.86582%0.815SS**  trans21.3130.3143.1560000121.3
235G33.1Very low37.7Very low74 Ų74136 Ų13676%0.76381%0.81SS**  trans-105168.9161.400000113.9
236S34.2Very low37.8Very low112 Ų112135.8 Ų135.878%0.78381%0.809SS**  trans-156.9110.6168.3-71.40000107
237T36.4Very low38.2Very low141 Ų141138.3 Ų138.387%0.86582%0.819SS**  65.411683.762.60000117.2
238G33.3Very low38Very low88 Ų88132.5 Ų132.591%0.90781%0.813SS**  trans105132.514100000118.5
239G31.8Very low37.9Very low84 Ų84132.4 Ų132.487%0.86681%0.813SS**  trans152.3109.4165.500000114.9
240E33.1Very low38.6Very low185 Ų185127.8 Ų127.886%0.86481%0.81SS**  trans-92.1164.6176.7-79.1162.682.500113.8
241Y37Very low38.3Very low216 Ų216127 Ų12785%0.84781%0.809SS**  trans-25.3170.8170-61.6-81.9000120.2
242P53.4Low38.7Very low115 Ų115131.9 Ų131.975%0.74782%0.815SS**  cis-144.5172.716.542.2-21.8000119.7
243H45.5Very low38.4Very low145 Ų145132.5 Ų132.567%0.67181%0.814SS**  trans43.9129.3146.8-132.8-83.9000123.4D245H243-D245 IonicContact CE1-OD2 3.46Å; H243-D245 PolarHBondContact CE1-OD2 3.5Å; H243-D245 IonicContact ND1-OD2 3.74Å
244H41.2Very low38.6Very low180 Ų180132.7 Ų132.783%0.83382%0.817SS**  179.7157.9123.2-100.7-66.5000114.4
245D37Very low38.4Very low128 Ų128129.9 Ų129.968%0.68482%0.817SS**  trans-93.8168-168.3-54.7-100.6000116.3H243H243-D245 IonicContact CE1-OD2 3.46Å; H243-D245 PolarHBondContact CE1-OD2 3.5Å; H243-D245 IonicContact ND1-OD2 3.74Å
246N37.8Very low38.3Very low147 Ų147129.9 Ų129.979%0.78682%0.816SS**  trans93.7123.4138.1-157.235.7000122.1
247S42.7Very low38.5Very low102 Ų102130.5 Ų130.571%0.71382%0.815SS**  trans48.4137.5145.767.90000123.6
248G32.9Very low38.7Very low78 Ų78132.1 Ų132.180%0.80482%0.815SS**  trans166.7100.2152.900000115.3
249S37.4Very low38.7Very low119 Ų119136.4 Ų136.483%0.83281%0.811SS**PPolyproline II helixtrans-91.1145.8167-58.20000110.8
250P54Low39.6Very low130 Ų130136.9 Ų136.984%0.84480%0.799SS**PPolyproline II helixtrans-82.8137.4-179.232.2-33.6000112.8
251L38.3Very low39.7Very low164 Ų164136.6 Ų136.686%0.85980%0.797SS**PPolyproline II helixtrans-98.1144.3162.9-76.3168.3000109.7
252L42.5Very low40.3Very low182 Ų182131.9 Ų131.995%0.95379%0.794SS**  trans-136.7149.2151.4-73.3179.1000108.9
253T33.2Very low39.4Very low134 Ų134133.2 Ų133.282%0.82280%0.799SS**  trans-138.7173.6-164.3-1730000111.6
254S37.8Very low38.8Very low121 Ų121136.3 Ų136.385%0.84681%0.806SS**  trans72.7137.5-176.7760000115.9
255G33.5Very low38.4Very low83 Ų83131.5 Ų131.586%0.85679%0.793SS**  cis155.9139.2-10.300000112
256G32.4Very low38.2Very low73 Ų73130.1 Ų130.175%0.75379%0.794SS**  trans144.897.7167.800000118.6
257V38.2Very low38.3Very low126 Ų126128.8 Ų128.876%0.76480%0.796SS**  trans35.8130.9138.8-125.60000123.9
258M39.1Very low37.9Very low175 Ų175127.3 Ų127.386%0.86279%0.79SS**  trans69.7128.9142.471.2-146173.100125.8
259E33.6Very low38.1Very low177 Ų177135.8 Ų135.883%0.82780%0.798SS**  trans-37.2170.5154-136.895.8154.800115.5
260P51Low37.9Very low95 Ų95135.1 Ų135.162%0.61780%0.799SS**  cis-141.7174.41.431.5-7.1000120
261H36.2Very low37Very low178 Ų178138.5 Ų138.582%0.82480%0.804SS**  trans72.1142.6155.9-66.2-52.1000122
262P48.9Very low37Very low118 Ų118135.1 Ų135.177%0.76680%0.8SS**  trans-103.7142.7-176.938.6-32.3000114.6
263V33.7Very low37.4Very low143 Ų143132.8 Ų132.887%0.86780%0.795SS**  trans-142.8123.9173.1176.40000112.2
264Y33.7Very low37.5Very low209 Ų209132.4 Ų132.482%0.8280%0.798SS**  trans71.4118155.3-135.4-113.9000123
265S32.8Very low37.4Very low79 Ų79131.8 Ų131.855%0.55279%0.794SS**  trans39.7140134-46.80000121.3
266S32.8Very low37.4Very low100 Ų100132.8 Ų132.870%0.69979%0.788SS**  -164.8145.657.4-55.50000114.8
267S39.3Very low37.6Very low119 Ų119136.4 Ų136.483%0.83279%0.789SS**  trans33.8145144.459.20000121.8
268A34.8Very low37.5Very low71 Ų71137.1 Ų137.159%0.58779%0.789SS**  cis-167.9164.3-9.100000105.4
269W36.4Very low37.3Very low256 Ų256136.5 Ų136.597%0.9779%0.789SS**  cis-152.6146.644-47.4-75.4000111.2
270A34.1Very low37.3Very low105 Ų105131.5 Ų131.587%0.86879%0.785SS**  trans-146.7137.6164.100000109.7
271Q35.7Very low36.5Very low200 Ų200130.4 Ų130.494%0.93579%0.791SS**  trans-106.9130.9171.8-68.8-178.69.900109.7
272A36.6Very low36.5Very low94 Ų94127 Ų12778%0.77779%0.787SS**  trans-147.4149.4164.800000108.6
273P51.2Low36Very low132 Ų132130.6 Ų130.686%0.85779%0.787SS**  trans-89.1154.5-172.835.4-35.2000112.8
274S34.9Very low36.3Very low127 Ų127131 Ų13189%0.88878%0.783SS**  trans-144.4160.9167.557.10000111.6
275S36.1Very low36.5Very low108 Ų108130.4 Ų130.476%0.75578%0.784SS**  trans-116.9179.4-163.947.80000113
276S34.6Very low36.7Very low103 Ų103134.7 Ų134.772%0.7280%0.796SS**  trans79.3147.1168.784.40000115.9
277L36.9Very low37Very low150 Ų150137.6 Ų137.679%0.78580%0.798SS**  cis-142.7137.45.7-95.7118.4000109.8
278N36Very low37.4Very low141 Ų141137.4 Ų137.475%0.75479%0.794SS**  68.1112.499.4-165.423.6000118.1
279N34.9Very low37.4Very low161 Ų161141.8 Ų141.886%0.86181%0.807SS**  174.5153.8114-161.510.4000112
280G32.9Very low37.6Very low73 Ų73135.1 Ų135.175%0.75380%0.799SS**  trans118.5101.1173.500000113.5
281G34.1Very low38.5Very low72 Ų72136 Ų13674%0.74280%0.796SS**  trans-118177.8-169.900000115.7
282S36.3Very low38.3Very low106 Ų106132.9 Ų132.974%0.74180%0.795SS**  trans-159.9137.3152.6-85.80000112.6
283Y37.5Very low38.3Very low193 Ų193135.8 Ų135.876%0.75780%0.797SS**  trans-34.1136.9172.954.4-76.5000118.4
284I41.7Very low38.2Very low153 Ų153135.3 Ų135.379%0.78579%0.794SS**  -172.2113.6121.4-94.5151.3000113.2
285K36.9Very low38.1Very low196 Ų196132.5 Ų132.585%0.85279%0.785SS**  trans32.4124142.8-144.9167.1-178.6177.20123.2
286Q37.3Very low38Very low169 Ų169132.4 Ų132.479%0.7979%0.791SS**  trans-35161158.4-56.7163.2-2.400116.3
287Q38.6Very low38.3Very low160 Ų160135 Ų13575%0.74880%0.797SS**  cis-152165.142.7-67.6-172.8-9.900115.4
288P48Very low39Very low115 Ų115132.9 Ų132.975%0.74779%0.792SS**  trans-115.4138.2164.537.6-25.2000114
289L34.1Very low39Very low164 Ų164134 Ų13486%0.85980%0.797SS**  trans-146.7151.3160.9-78.9-177.7000112.6
290S41.8Very low39.3Very low115 Ų115134.6 Ų134.680%0.80480%0.795SS**  trans-160.6172.3173.1-67.40000107.2
291P53.3Low40.2Very low123 Ų123136.9 Ų136.980%0.79980%0.796SS**  cis-123.1158.9-48.437-25.1000111.2
292C30.4Very low40.1Very low136 Ų136138.7 Ų138.792%0.91980%0.798SS**  trans-153.9138.4168.258.90000115.1
293N37.5Very low40.4Very low155 Ų155141.3 Ų141.383%0.82980%0.802SS**  trans-145.2147.7164-154.626.1000103.2
294P48.5Very low41.2Very low122 Ų122136.9 Ų136.979%0.79280%0.798SS**  cis-147.7175.547.140.8-20.6000117.4
295G33.3Very low40.9Very low68 Ų68135.5 Ų135.570%0.70180%0.796SS**  trans127.8142.8139.600000119.2
296A34.2Very low40.8Very low106 Ų106134.1 Ų134.188%0.87679%0.792SS**  trans74.5101.9159.500000120.9
297N40.3Very low40.7Very low158 Ų158130.6 Ų130.685%0.84579%0.787SS**  trans-71.4172.6138.5-101.2-44.8000109.7
298P52Low40.8Very low105 Ų105130.6 Ų130.668%0.68279%0.791SS**  cis-138-179.218.139.3-19.8000116
299L35.9Very low40.3Very low164 Ų164130.6 Ų130.686%0.85978%0.784SS**  176139.3119.7-91.2166.1000113.2
300Q40.2Very low40.4Very low173 Ų173129.6 Ų129.681%0.80878%0.775SS**  trans-108.4158.4167.6-82.9-101.4-42.100107.5
301P51.9Low40Very low121 Ų121132.8 Ų132.879%0.78677%0.771SS**  -144.8-168.768.140.5-18.8000112.7
302S32.1Very low38.9Very low111 Ų111132.2 Ų132.278%0.77676%0.762SS**  cis-157.3159.218.851.10000114.1
303L44Very low39.2Very low160 Ų160132.4 Ų132.484%0.83875%0.752SS**  trans-73.9-175.2171.3-86.3168.4000112.7
304P54.4Low39.1Very low101 Ų101132.4 Ų132.466%0.65675%0.747SS**  cis-159.3178.63047.8-25.4000123.4
305T34.7Very low38.4Very low123 Ų123133.7 Ų133.776%0.75574%0.743SS**  trans71.9154.1158.170.70000119.8
306H34.7Very low38.2Very low167 Ų167137.3 Ų137.377%0.77375%0.746SS**  cis-149.712312.6-144.2-100.7000108.6
307S34.8Very low38.1Very low96 Ų96135.4 Ų135.467%0.67174%0.736SS**  74.2122.493.7-158.20000119.2
308L41.5Very low37.9Very low159 Ų159137.3 Ų137.383%0.83274%0.74SS**  -164.9148123.8-154.169.9000112.6
309D37.2Very low37Very low115 Ų115137.4 Ų137.462%0.61574%0.743SS**  trans-21146.2-177.4-65.5-107.1000122.7
310Q35.7Very low36.8Very low143 Ų143137.1 Ų137.167%0.66874%0.742SS**  cis82.8121.841.3-143.3-177.448.800112.1
311Y33.5Very low36.6Very low183 Ų183134.1 Ų134.172%0.71874%0.736SS**  -159.3139.265.2-113.4-111.1000109.6
312N31.2Very low35.8Very low111 Ų111135 Ų13559%0.59473%0.734SS**  60.414486.7-78.4-33.3000115.9
313L34.8Very low36.3Very low139 Ų139138.2 Ų138.273%0.72874%0.742SS**  cis-162.9152.8-4.8-162.292000111.2
314H36.6Very low36.2Very low156 Ų156140 Ų14072%0.72275%0.746SS**  trans2.6144.3152.6-72.8104.7000125.6
315Q32.8Very low35.2Very low148 Ų148139 Ų13969%0.69275%0.754SS**  92.5136.4126.2-79.2-74.982.200124
316N29.9Very low35.4Very low145 Ų145141.3 Ų141.378%0.77576%0.76SS**  trans59.4140.9155.1-77-8.3000120.1
317G33Very low36Very low65 Ų65138.8 Ų138.867%0.6776%0.758SS**  trans-111.5169.6174.400000112.8
318H34.5Very low36.1Very low199 Ų199144.1 Ų144.192%0.92176%0.764SS**  trans-151.6165153-94.8-32.4000110.4
319S34Very low35.7Very low106 Ų106147.9 Ų147.974%0.74177%0.768SS**  trans-66.1150.6-172.748.40000115.3
320N31.5Very low35.7Very low158 Ų158149.7 Ų149.785%0.84577%0.773SS**  trans-153.3171134.3-125.5-22000114
321T35.9Very low35.5Very low111 Ų111147.5 Ų147.568%0.68177%0.773SS**  trans-87160.5-155.123.30000118.1
322D36.1Very low35.4Very low140 Ų140148 Ų14875%0.74978%0.782SS**  trans39.3114.5147.8-63.4-63.8000121.5
323L41.3Very low35.9Very low178 Ų178148.1 Ų148.193%0.93279%0.791SS**  -154.5162.2126.8-132.969.9000112.1
324Q41.4Very low36.2Very low198 Ų198147 Ų14793%0.92579%0.792SS**  trans-83.2147.6-156.9-58.2170.2-34.100115.2
325G34.4Very low36.3Very low80 Ų80145 Ų14583%0.82580%0.796SS**  trans173.891.6172.700000118.4
326I38.3Very low36.6Very low171 Ų171146.1 Ų146.188%0.87780%0.803SS**  trans-65.2152.3175.4-85.2169.4000114.3
327P47.9Very low37.1Very low114 Ų114145 Ų14574%0.7481%0.805SS**  -131.8-168.9-63.240-17.5000113.6
328R37.5Very low37.2Very low208 Ų208147.7 Ų147.779%0.78580%0.804SS**  trans-53.5151.5174.5-85.6-178.2164.8127.1-5.5116
329Y33.1Very low37.4Very low238 Ų238148 Ų14893%0.93380%0.797SS**  -123.5139.1123.7-89.4-85.4000111
330H35.4Very low37.6Very low153 Ų153150.9 Ų150.971%0.70880%0.797SS**  trans-141.3133172.9-121.465.6000108.6
331S33.1Very low38Very low96 Ų96149.3 Ų149.367%0.67178%0.784SS**  trans12.4129.2157.7-47.50000120.5
332Q31.2Very low37.9Very low195 Ų195154 Ų15491%0.91180%0.796SS**  -171.2153.5108.1-102.4164.969.200113.6
333S40.3Very low38.1Very low112 Ų112152.8 Ų152.878%0.78379%0.793SS**PPolyproline II helixtrans-94.8148.2176.741.70000111.7
334P41.8Very low37.9Very low115 Ų115153.2 Ų153.275%0.74779%0.788SS**PPolyproline II helixtrans-96.2132.8175.134.3-30.3000112.8
335S40Very low37.5Very low114 Ų114148.8 Ų148.880%0.79778%0.778SS**PPolyproline II helixtrans-85.9143.5157.651.70000109.7
336M38.5Very low37.6Very low173 Ų173154.9 Ų154.985%0.85278%0.782SS**  trans-139.8130.3170.7-72.9-66.8-162.900110.6
337C39Very low37.5Very low120 Ų120154.4 Ų154.481%0.81178%0.782SS**  trans-125.4162.6164.3-81.80000108.6
338D36.1Very low36.8Very low122 Ų122153 Ų15365%0.65278%0.78SS**  trans65.7116.2-168.1-75.4-77.8000114.6
339R39.6Very low36.7Very low206 Ų206152.2 Ų152.278%0.77779%0.787SS**  cis77.19847.3-174.7-154-78.2137.2-11.7112.3
340K36.9Very low36.7Very low167 Ų167146.9 Ų146.973%0.72678%0.779SS**  178.6165.8110-126.8-179.6170.1-131.60112.8
341E40.5Very low36.6Very low124 Ų124144.3 Ų144.358%0.57978%0.779SS**  trans50.4105.7166.6-48.4-45.3144.900118.9
342F32.8Very low36.6Very low211 Ų211145.4 Ų145.493%0.92579%0.786SS**  trans-155.1102.3136.2-91.5-63000110.2
343V41.7Very low36.8Very low114 Ų114141.4 Ų141.469%0.69178%0.775SS**  trans-122.7156.3162.2177.60000106
344F37.2Very low36.5Very low187 Ų187143.4 Ų143.482%0.8277%0.774SS**  trans74.4139-168.8-54.8-76.9000113.4
345S31.6Very low36.1Very low104 Ų104146.4 Ų146.473%0.72778%0.778SS**  cis-154.5149-6.6-97.40000108.7
346F36.5Very low35.9Very low208 Ų208146.5 Ų146.591%0.91278%0.778SS**  trans-127.794.8168.6-143-84.5000110
347N36.9Very low36.4Very low162 Ų162144 Ų14487%0.86678%0.776SS**  trans-159.7148168.1-101.6-28.6000108.6
348A32.9Very low36.1Very low84 Ų84143.1 Ų143.169%0.69477%0.771SS**  trans70.5138-158.800000113
349M35Very low36Very low191 Ų191143.4 Ų143.494%0.94178%0.782SS**  cis-136.1163.629.3-69.3175.1-76.500116
350T33.6Very low35.7Very low126 Ų126138.4 Ų138.477%0.77378%0.779SS**  trans-151.6141.5-175.4160.30000108.1
351S33.6Very low35.6Very low100 Ų100135.9 Ų135.970%0.69978%0.782SS**  cis-158.3166.8-9.4-83.60000109.3
352S33.8Very low35.2Very low118 Ų118140.7 Ų140.783%0.82580%0.796SS**  trans-153.498.6165.9-70.60000109.8
353T33.6Very low35.3Very low111 Ų111141.8 Ų141.868%0.68180%0.796SS**  76.9108.977.8-53.60000113.4
354M34.8Very low35.1Very low155 Ų155144.4 Ų144.476%0.76480%0.801SS**  171.3154.9120-88-55.9169.900112.6
355H34.1Very low35Very low177 Ų177143.7 Ų143.782%0.81980%0.8SS**  trans86.5121.8167.2-56.8-70.5000121.5
356S35.4Very low35.1Very low116 Ų116145.8 Ų145.881%0.81180%0.798SS**  trans-164.7171.1165.7-76.40000105.8
357P49.3Very low35Very low122 Ų122142.7 Ų142.779%0.79279%0.786SS**  cis-107.2-146.9-444-31.6000109.2
358S32Very low35.2Very low101 Ų101140.6 Ų140.671%0.70678%0.779SS**  cis-156.6140.1-0.132.70000111.6
359S34.2Very low35.5Very low128 Ų128140.9 Ų140.990%0.89578%0.781SS**  trans-168.6142.1139.1-90.90000111.3
360S32.7Very low35.8Very low101 Ų101142.6 Ų142.671%0.70678%0.779SS**  trans-90.3139-176-173.50000111.4
361S34.9Very low36.1Very low114 Ų114144.5 Ų144.580%0.79778%0.779SS**  trans-157.4140.5154-85.60000110.9
362Y33.3Very low36.4Very low224 Ų224146 Ų14688%0.87878%0.779SS**PPolyproline II helixtrans-77.2140.9-166.8-71.5-105.1000112.6
363Y33.8Very low37.2Very low234 Ų234147.6 Ų147.692%0.91878%0.777SS**PPolyproline II helixtrans-91.7122.4162.1-86.8-85.8000110.1
364H38.5Very low38.1Very low170 Ų170150.3 Ų150.379%0.78778%0.779SS**PPolyproline II helixtrans-93.6120.3164.1-157.4-51.1000108.8
365H34.5Very low39.3Very low172 Ų172148.8 Ų148.880%0.79678%0.781SS**PPolyproline II helixtrans-85.2131.5173.7-170.745.8000108.9Q367H365-Q367 VanDerWaalsContact NE2-CG 3.29Å; H365-Q367 WeakPolarHBondContact NE2-CG 3.29Å; H365-Q367 PolarHBondContact NE2-NE2 2.55Å
366Q33.8Very low40.1Very low148 Ų148146.5 Ų146.569%0.69278%0.784SS**  trans-133.7101.9171-173.377.356.400107.6V368Q366-V368 HydrophobicContact CG-CG2 4.43Å
367Q34.8Very low40.7Very low142 Ų142147.6 Ų147.666%0.66479%0.785SS**  trans-75.5135.6167.4-66.6-175.2-16.100108.8H365H365-Q367 VanDerWaalsContact NE2-CG 3.29Å; H365-Q367 WeakPolarHBondContact NE2-CG 3.29Å; H365-Q367 PolarHBondContact NE2-NE2 2.55Å
368V40.4Very low40.9Very low118 Ų118153.9 Ų153.972%0.71581%0.807SS**  trans-119.1112.2168.2-179.20000107.3Q366Q366-V368 HydrophobicContact CG-CG2 4.43Å
369A40Very low41.4Very low90 Ų90156.6 Ų156.674%0.74481%0.812SS**PPolyproline II helixtrans-74.3132174.600000109.8
370Y40.2Very low41.8Very low228 Ų228158.1 Ų158.189%0.89481%0.807SS**PPolyproline II helixtrans-81.2122.7165.2-87.8-98.3000108.9
371Q41.1Very low42.3Very low166 Ų166161.2 Ų161.278%0.77681%0.813SS**PPolyproline II helixtrans-93.9139169.9-80.3-74.522.300110.7
372D38.8Very low42.7Very low130 Ų130164 Ų16470%0.69581%0.814SS**PPolyproline II helixtrans-79.4119.4178.2-174-31.6000109.6
373I51.6Low43.3Very low153 Ų153160.3 Ų160.379%0.78581%0.81SS**  trans-116.6104179.3-61.3171.1000108.5
374K52.5Low43.9Very low167 Ų167155.3 Ų155.373%0.72680%0.803SS**PPolyproline II helixtrans-75.6140.2173.3-63.2174.8-177.6173.20110.2C376K374-C376 PolarHBondContact O-N 3.46Å
375P58.8Low44.3Very low124 Ų124154.3 Ų154.381%0.80580%0.804SS**PPolyproline II helixtrans-74124.9174.729.7-32.9000110.8
376C51.7Low45.1Very low129 Ų129152.9 Ų152.987%0.87281%0.805SS**PPolyproline II helixtrans-78139166.1-71.70000110.3K374K374-C376 PolarHBondContact O-N 3.46Å
377V48.3Very low46Very low138 Ų138153.3 Ų153.384%0.83681%0.814SS**PPolyproline II helixtrans-93.1131.6170.1176.40000108.8
378M53.7Low47Very low255 Ų255154.4 Ų154.4100%1.25683%0.828SS**  trans-140.80152.6-71.2-167.6-168.600108

Retrieved 378 of 378 residues in 281.1 ms (Link to these results)