A0A096M218_POEFO Loading...

Homeobox A11a

Sequence-specific transcription factor which is part of a developmental regulatory system that provides cells with specific positional identities on the anterior-posterior axis.

AlphaFold DB , UniProt , Accession A0A096M218, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 298 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
1M41.1Very low47.6Very low221 Ų221144 Ų144100%1.08978%0.775SS**  083.10-59.1-44.9-166.900108.3
2D42.1Very low47.5Very low151 Ų151144.8 Ų144.881%0.80778%0.778SS**  trans66.3158.6139.3-44.8-64.3000119.9
3F40.9Very low48.2Very low212 Ų212146.9 Ų146.993%0.9378%0.784SS**  trans-105.7164.1-155.4-116.5-106.7000114.1E5F3-E5 PolarHBondContact O-N 3.36Å
4D48Very low48.6Very low111 Ų111150.8 Ų150.859%0.59478%0.784SS**  trans-70.1115.5178.6-167.2-78000111.6R6D4-R6 IonicContact OD1-CZ 3.42Å; D4-R6 IonicContact OD1-NH1 3.17Å; D4-R6 PolarHBondContact OD1-NH1 3.2Å; D4-R6 IonicContact OD2-CZ 3.96Å; D4-R6 IonicContact OD2-NH1 2.7Å; D4-R6 PolarHBondContact OD2-NH1 3.02Å
5E55.7Low49.1Very low174 Ų174150.8 Ų150.881%0.81379%0.785SS**  trans-107.777.9173.8-163-178.3132.200111.7F3 V7F3-E5 PolarHBondContact O-N 3.36Å; E5-V7 HydrophobicContact CG-CG2 4.1Å
6R50.8Low49Very low193 Ų193147 Ų14773%0.72877%0.772SS**  trans-84.1111.6158.8-76.6-178.6-17778.32109.9D4 P8D4-R6 IonicContact OD1-CZ 3.42Å; D4-R6 IonicContact OD1-NH1 3.17Å; D4-R6 PolarHBondContact OD1-NH1 3.2Å; D4-R6 IonicContact OD2-CZ 3.96Å; D4-R6 IonicContact OD2-NH1 2.7Å; D4-R6 PolarHBondContact OD2-NH1 3.02Å; R6-P8 WeakPolarHBondContact O-CD 3.48Å
7V49.1Very low48.4Very low103 Ų103144.1 Ų144.162%0.62477%0.767SS**  trans-89.1111.5169.4-179.80000110.4E5E5-V7 HydrophobicContact CG-CG2 4.1Å
8P53.5Low48.2Very low114 Ų114143.9 Ų143.974%0.7478%0.777SS**  trans-83.7121.5166.332.6-31.6000110.3R6 G10R6-P8 WeakPolarHBondContact O-CD 3.48Å; P8-G10 VanDerWaalsContact C-N 3.28Å; P8-G10 PolarHBondContact O-N 3.2Å
9V49.4Very low48.4Very low137 Ų137141.6 Ų141.683%0.8377%0.768SS**  trans-75.882.8172.2179.50000109.7S11V9-S11 PolarHBondContact O-N 2.96Å
10G43.5Very low48.4Very low58 Ų58145.4 Ų145.460%0.59877%0.773SS**  trans-87.594.2168.800000110.9P8 N12P8-G10 VanDerWaalsContact C-N 3.28Å; P8-G10 PolarHBondContact O-N 3.2Å; G10-N12 VanDerWaalsContact C-N 3.28Å; G10-N12 PolarHBondContact O-N 3.05Å
11S49.7Very low48.5Very low110 Ų110148.3 Ų148.377%0.76978%0.775SS**  trans-73.276.9179.3530000112.2V9 M13V9-S11 PolarHBondContact O-N 2.96Å; S11-M13 PolarHBondContact O-N 3.15Å
12N46.2Very low48.7Very low153 Ų153143.4 Ų143.482%0.81876%0.757SS**  trans-64.1111.3175.3-86-62.8000111.5G10 Y14G10-N12 VanDerWaalsContact C-N 3.28Å; G10-N12 PolarHBondContact O-N 3.05Å; N12-Y14 PolarHBondContact O-N 2.81Å
13M56.4Low49Very low173 Ų173141.9 Ų141.985%0.85276%0.758SS**  trans-75.370.7171.8-75.5-70.5-6800111.1S11S11-M13 PolarHBondContact O-N 3.15Å
14Y54.3Low49.4Very low201 Ų201136.3 Ų136.379%0.78875%0.751SS**  trans-93.4109.1176.5-161.4-97000110.9N12 P16N12-Y14 PolarHBondContact O-N 2.81Å; Y14-P16 HydrophobicContact CE1-CB 4.26Å; Y14-P16 VanDerWaalsContact O-CD 3.3Å; Y14-P16 WeakPolarHBondContact O-CD 3.44Å
15L55.2Low49.4Very low151 Ų151134.1 Ų134.179%0.79176%0.755SS**  trans-98.7101.7173.6-88.3156.6000109.4
16P47.6Very low49Very low90 Ų90131.6 Ų131.658%0.58475%0.751SS**  trans-75.1152.9176.531.2-34.8000112.1Y14Y14-P16 HydrophobicContact CE1-CB 4.26Å; Y14-P16 VanDerWaalsContact O-CD 3.3Å; Y14-P16 WeakPolarHBondContact O-CD 3.44Å
17S40.1Very low49Very low98 Ų98129.3 Ų129.369%0.68575%0.754SS**  trans68.555.2159.4-51.50000118.3T19S17-T19 PolarHBondContact O-N 2.91Å
18C44.6Very low48.8Very low140 Ų140134.4 Ų134.495%0.94677%0.768SS**  trans-71.669151.5-74.30000111.2
19T51Low48.6Very low100 Ų100135 Ų13561%0.61378%0.775SS**  trans-101.5109.9176.149.40000111S17 Y21S17-T19 PolarHBondContact O-N 2.91Å; T19-Y21 PolarHBondContact O-N 2.68Å
20Y48.9Very low49Very low217 Ų217131.7 Ų131.785%0.85177%0.768SS**  trans-77.6109.6-177.1-160.2-89.9000110.8V22Y20-V22 HydrophobicContact CD1-CG2 4.23Å; Y20-V22 HydrophobicContact CE1-CG2 3.84Å
21Y51.2Low49.6Very low208 Ų208136.7 Ų136.782%0.81678%0.78SS**  trans-117.1122.3172.1-93.4-81.4000111.3T19 S23T19-Y21 PolarHBondContact O-N 2.68Å; Y21-S23 PolarHBondContact O-N 3.09Å
22V45Very low49.7Very low118 Ų118136.7 Ų136.772%0.71578%0.777SS**  trans-86105.3171.2175.10000108.1Y20 A24Y20-V22 HydrophobicContact CD1-CG2 4.23Å; Y20-V22 HydrophobicContact CE1-CG2 3.84Å; V22-A24 PolarHBondContact O-N 2.82Å
23S48.7Very low50.1Low118 Ų118135.1 Ų135.183%0.82578%0.778SS**  trans-76.8111.3168.8-650000109.8Y21Y21-S23 PolarHBondContact O-N 3.09Å
24A49.2Very low49.9Very low96 Ų96136.1 Ų136.179%0.79378%0.778SS**  trans-89.5133.9169.100000110.2V22V22-A24 PolarHBondContact O-N 2.82Å
25G47.5Very low49.7Very low65 Ų65134.4 Ų134.467%0.6778%0.782SS**  trans81.810417200000115.4
26T46.7Very low49.3Very low121 Ų121132.8 Ų132.874%0.74278%0.784SS**  -174.8104.5106.5400000109.3
27D51.9Low49.2Very low145 Ų145137.6 Ų137.678%0.77580%0.798SS**  trans20.6102.9134-5.4-57.9000117.4
28F43.6Very low49.6Very low210 Ų210139.2 Ų139.292%0.92180%0.804SS**  trans-13093.5149.1-107.7-85.3000109.9
29S50.1Low49.8Very low127 Ų127138.3 Ų138.389%0.88880%0.796SS**  trans-76134.5166.3-1780000109.3
30G56.7Low49.4Very low66 Ų66137.7 Ų137.768%0.6880%0.796SS**  trans142.253.1170.900000117.7
31L56.3Low49.5Very low163 Ų163134.4 Ų134.485%0.85380%0.799SS**  trans-129.2140.9155.9-74.1177.6000109.8
32P52.2Low49.6Very low110 Ų110134.3 Ų134.371%0.71480%0.797SS**  trans-80.1130.9-163.229.9-35.6000114.2F34P32-F34 VanDerWaalsContact C-N 3.35Å; P32-F34 PolarHBondContact O-N 3.28Å
33S55.6Low49.7Very low120 Ų120133.9 Ų133.984%0.83980%0.797SS**  trans-75.371.8-179.6-55.20000113.8
34F51.3Low49.8Very low194 Ų194135.2 Ų135.285%0.85179%0.792SS**  trans-111.749.8172.9-85.4-73.4000114P32P32-F34 VanDerWaalsContact C-N 3.35Å; P32-F34 PolarHBondContact O-N 3.28Å
35L49.4Very low49.8Very low165 Ų165136.4 Ų136.486%0.86479%0.789SS**SBendtrans-123109.7148.6-76.3175.5000108Q37L35-Q37 PolarHBondContact O-N 3.43Å
36S46.8Very low49.7Very low118 Ų118142.3 Ų142.383%0.82579%0.793SS**  trans-66.3120.2178.230.70000110.2T38S36-T38 PolarHBondContact O-N 3.23Å; S36-T38 VanDerWaalsContact O-N 3.11Å
37Q47.3Very low49.7Very low191 Ų191142.3 Ų142.389%0.89380%0.798SS**  trans-66.3110175-64.8177.511.300109.7L35 P39L35-Q37 PolarHBondContact O-N 3.43Å; Q37-P39 WeakPolarHBondContact O-CD 3.43Å
38T47.3Very low49.2Very low131 Ų131143.8 Ų143.880%0.80479%0.794SS**  trans-73.5119.2163.547.60000108.9S36S36-T38 PolarHBondContact O-N 3.23Å; S36-T38 VanDerWaalsContact O-N 3.11Å
39P49.8Very low49.5Very low121 Ų121138.6 Ų138.679%0.78678%0.784SS**  trans-78.7152.9-175.931.6-35.4000112.6Q37Q37-P39 WeakPolarHBondContact O-CD 3.43Å
40S42.8Very low49.7Very low88 Ų88137.8 Ų137.862%0.61578%0.778SS**  trans65.787160.4-152.90000117R42S40-R42 PolarHBondContact O-N 3.17Å; S40-R42 WeakPolarHBondContact OG-CG 3.38Å
41T49.7Very low49.7Very low147 Ų147142 Ų14290%0.90279%0.785SS**  trans-59.989.9146.5-55.90000109
42R54.1Low49.9Very low206 Ų206140.4 Ų140.478%0.77778%0.777SS**  trans-80.6125.9162.4-66.4-170.6176-173.3-2.5108.2S40 M44S40-R42 PolarHBondContact O-N 3.17Å; S40-R42 WeakPolarHBondContact OG-CG 3.38Å; R42-M44 PolarHBondContact O-N 2.94Å; R42-M44 VanDerWaalsContact O-N 3.14Å
43P47.8Very low49.9Very low110 Ų110140.6 Ų140.671%0.71478%0.778SS**  trans-64116.5166.127.4-31.7000107.8T45P43-T45 PolarHBondContact O-N 3.22Å
44M50.6Low49.9Very low145 Ų145143.2 Ų143.271%0.71478%0.777SS**  trans-73.296178.7-164.167.7171.700108.5R42 Y46R42-M44 PolarHBondContact O-N 2.94Å; R42-M44 VanDerWaalsContact O-N 3.14Å; M44-Y46 VanDerWaalsContact C-N 3.28Å; M44-Y46 HydrophobicContact CB-CD2 4.23Å; M44-Y46 HydrophobicContact CB-CE2 3.85Å; M44-Y46 HydrophobicContact CG-CD2 4.03Å; M44-Y46 HydrophobicContact CG-CE2 3.51Å; M44-Y46 VanDerWaalsContact O-CD2 3.31Å; M44-Y46 WeakPolarHBondContact O-CD2 3.38Å; M44-Y46 PolarHBondContact O-N 3.46Å
45T49.1Very low50Low122 Ų122140.3 Ų140.375%0.74877%0.774SS**  trans-72.782.3-179.353.20000110.2P43 S47P43-T45 PolarHBondContact O-N 3.22Å; T45-S47 PolarHBondContact O-N 2.9Å; T45-S47 VanDerWaalsContact O-N 3.13Å
46Y44.6Very low49.8Very low188 Ų188139 Ų13974%0.73776%0.764SS**  trans-65.8108168.8-73.1-82.5000109.4M44 Y48M44-Y46 VanDerWaalsContact C-N 3.28Å; M44-Y46 HydrophobicContact CB-CD2 4.23Å; M44-Y46 HydrophobicContact CB-CE2 3.85Å; M44-Y46 HydrophobicContact CG-CD2 4.03Å; M44-Y46 HydrophobicContact CG-CE2 3.51Å; M44-Y46 VanDerWaalsContact O-CD2 3.31Å; M44-Y46 WeakPolarHBondContact O-CD2 3.38Å; M44-Y46 PolarHBondContact O-N 3.46Å; Y46-Y48 PolarHBondContact O-N 3.42Å
47S46.7Very low50.2Low122 Ų122138.1 Ų138.185%0.85376%0.756SS**  trans-67.979.5170.1-58.50000110.3T45 S49T45-S47 PolarHBondContact O-N 2.9Å; T45-S47 VanDerWaalsContact O-N 3.13Å; S47-S49 PolarHBondContact O-N 3.43Å
48Y42.2Very low50.6Low175 Ų175135.5 Ų135.569%0.68675%0.752SS**  trans-74.7120.7173.3-160.6-88.1000109.1Y46 S50Y46-Y48 PolarHBondContact O-N 3.42Å; Y48-S50 PolarHBondContact O-N 3.47Å
49S49.3Very low51.1Low102 Ų102140.1 Ų140.171%0.71376%0.755SS**  trans-64.7107.4178.4-68.10000110.8S47 N51S47-S49 PolarHBondContact O-N 3.43Å; S49-N51 PolarHBondContact O-N 3.08Å
50S53.7Low51.4Low110 Ų110143.3 Ų143.377%0.76976%0.76SS**  trans-68.684.7-179.1-61.70000112.7Y48Y48-S50 PolarHBondContact O-N 3.47Å
51N57.8Low51.7Low153 Ų153143.8 Ų143.882%0.81876%0.758SS**  trans-131.838.2164.6-84.2-72.5000111.3S49S49-N51 PolarHBondContact O-N 3.08Å
52L60.6Low52Low131 Ų131142.1 Ų142.169%0.68675%0.748SS**SBendtrans-103.5139.2160.5-104.366.2000108.6
53P51.8Low51.6Low113 Ų113142.7 Ų142.773%0.73476%0.757SS**  trans-62.6140.8174.926.9-33.9000110.8V55P53-V55 PolarHBondContact O-N 3.32Å
54Q54.6Low51.9Low175 Ų175147.8 Ų147.882%0.81876%0.762SS**  trans-69.495.7-173.8-178175.5-17.300111.6Q56Q54-Q56 PolarHBondContact O-N 2.87Å
55V54Low51.9Low133 Ų133147.1 Ų147.181%0.80676%0.761SS**PPolyproline II helixtrans-72.2121.5173.3-176.50000109.3P53P53-V55 PolarHBondContact O-N 3.32Å
56Q45.6Very low51.9Low138 Ų138150.6 Ų150.665%0.64576%0.762SS**PPolyproline II helixtrans-66.5148.1-177.8-69.1-76.240.200112.4Q54 V58Q54-Q56 PolarHBondContact O-N 2.87Å; Q56-V58 PolarHBondContact O-N 2.93Å
57P55.8Low52.4Low100 Ų100146.6 Ų146.665%0.64977%0.767SS**PPolyproline II helixtrans-67.5121.6178.727.6-33.8000111.1R59P57-R59 VanDerWaalsContact C-N 3.28Å; P57-R59 PolarHBondContact O-N 3.28Å
58V54.4Low52.7Low136 Ų136144 Ų14482%0.82476%0.76SS**SBendtrans-72.879.1-178.7-1760000110.8Q56Q56-V58 PolarHBondContact O-N 2.93Å
59R59.3Low53Low228 Ų228142.1 Ų142.186%0.8676%0.761SS**SBendtrans-146.117.216571.6173.5-170.9167.23.9115.5P57P57-R59 VanDerWaalsContact C-N 3.28Å; P57-R59 PolarHBondContact O-N 3.28Å
60E54.5Low52.7Low188 Ų188146.2 Ų146.288%0.87977%0.768SS**  trans-163.199155.3-117.1166.7-158.900109.4
61V48.8Very low52.2Low98 Ų98145.2 Ų145.259%0.59477%0.767SS**  trans-137.4114167.1179.40000106.3
62T56.9Low51.5Low112 Ų112143.4 Ų143.469%0.68776%0.764SS**  trans-71.3154.2177.141.70000110.6R64T62-R64 PolarHBondContact O-N 3.43Å
63F46Very low51.1Low217 Ų217140.3 Ų140.395%0.95276%0.763SS**THydrogen-bonded Turntrans-72.833.6-166.3-170.2-105000115
64R53.2Low50.7Low218 Ų218143.2 Ų143.282%0.82376%0.764SS**THydrogen-bonded Turntrans-113.2-29.9-174-84.1-74.9175.2-169.2-1.9115.5T62 Y66T62-R64 PolarHBondContact O-N 3.43Å; R64-Y66 PolarHBondContact O-N 3.33Å
65D51.8Low50.1Low130 Ų130146.4 Ų146.470%0.69577%0.769SS**SBendtrans-92.67.7-165.7-65.9-54.8000116.5A67D65-A67 VanDerWaalsContact C-N 3.3Å; D65-A67 PolarHBondContact O-N 3.24Å
66Y49.3Very low49.6Very low196 Ų196145.7 Ų145.777%0.76977%0.767SS**  trans-89.920.8177.9-102.4-81.9000114.9R64 I69R64-Y66 PolarHBondContact O-N 3.33Å; Y66-I69 HydrophobicContact CE1-CD1 4.04Å
67A54.5Low49.4Very low103 Ų103148.1 Ų148.185%0.85178%0.778SS**SBendtrans-91.615.8-17900000114.6D65D65-A67 VanDerWaalsContact C-N 3.3Å; D65-A67 PolarHBondContact O-N 3.24Å
68G53.3Low48.9Very low69 Ų69153.3 Ų153.371%0.71178%0.784SS**SBendtrans-139.713.9-16800000117.4
69I48.6Very low48.2Very low134 Ų134150.4 Ų150.469%0.68778%0.782SS**SBendtrans-115.3118.1175.2-59.7179.3000108.8Y66Y66-I69 HydrophobicContact CE1-CD1 4.04Å
70E42.3Very low47.1Very low188 Ų188146.8 Ų146.888%0.87978%0.78SS**  trans-64.9133-172.9-63-163.4134.900113.3
71A42.8Very low46.6Very low89 Ų89146 Ų14674%0.73678%0.781SS**  trans-78.7128.4166.200000109.6G73A71-G73 PolarHBondContact O-N 3.41Å
72P43.9Very low46Very low116 Ų116145.6 Ų145.675%0.75378%0.782SS**  trans-73.375.5179.629.5-35.5000111.7K74P72-K74 PolarHBondContact O-N 3.15Å
73G51.7Low45.2Very low65 Ų65149.1 Ų149.167%0.6779%0.791SS**  trans-58.4117.7-178.600000112.8A71A71-G73 PolarHBondContact O-N 3.41Å
74K44.2Very low44.9Very low175 Ų175144.5 Ų144.576%0.76178%0.784SS**  trans-176.466.7160.146-170.5144.3-68.30112.1P72P72-K74 PolarHBondContact O-N 3.15Å
75W42.1Very low44.1Very low242 Ų242145 Ų14592%0.91779%0.787SS**  trans-80127.1150.3-72.394.2000107.5H77W75-H77 PolarHBondContact O-N 3.43Å; W75-H77 VanDerWaalsContact O-N 3.13Å
76P43.2Very low43.5Very low117 Ų117144.1 Ų144.176%0.7679%0.792SS**  trans-70.8111.6-177.326.8-33.2000110.7R78P76-R78 PolarHBondContact O-N 3.15Å
77H41.9Very low42.8Very low189 Ų189139.5 Ų139.588%0.87579%0.788SS**  trans-57.4127.6169.3-79.1-81000110W75 G79W75-H77 PolarHBondContact O-N 3.43Å; W75-H77 VanDerWaalsContact O-N 3.13Å; H77-G79 PolarHBondContact O-N 3.33Å
78R44.2Very low42.4Very low210 Ų210139.6 Ų139.679%0.79279%0.789SS**  trans-77.1104.8161.2-75.9-170.9168.3-84.2-9.7107.7P76P76-R78 PolarHBondContact O-N 3.15Å
79G39.1Very low42.1Very low75 Ų75142.8 Ų142.877%0.77379%0.785SS**  trans-57.9141.817600000111.6H77H77-G79 PolarHBondContact O-N 3.33Å
80N36.7Very low41.7Very low151 Ų151143.7 Ų143.781%0.80779%0.791SS**  trans-87.2122.3176.1-168.59.4000109.2S82N80-S82 PolarHBondContact O-N 3.42Å
81L43.5Very low41.6Very low172 Ų172143 Ų14390%0.90179%0.79SS**  trans-88.690.8-178.2-176.370.7000109.7
82S37.2Very low42.5Very low89 Ų89144.3 Ų144.362%0.62279%0.789SS**  trans-144.363-175.5-175.40000112.8N80N80-S82 PolarHBondContact O-N 3.42Å
83Q39.9Very low42.4Very low187 Ų187146.5 Ų146.587%0.87479%0.789SS**  trans-141.338.5176.3-14383.457.500113.3
84C39.5Very low41.6Very low120 Ų120153.1 Ų153.181%0.81179%0.793SS**  trans-132.161.7177.3-65.70000112.2
85Y37Very low41.2Very low227 Ų227151.5 Ų151.589%0.8979%0.789SS**  trans-159.8127.1146-123.5-82.9000109.4
86S38Very low40.9Very low113 Ų113145.4 Ų145.479%0.7978%0.782SS**  trans-120.3161.2172-68.80000108.9
87S34.4Very low40.6Very low99 Ų99147.6 Ų147.669%0.69279%0.786SS**  trans65.4142.1-171.7-96.50000115.6E89S87-E89 VanDerWaalsContact CA-OE1 3.23Å; S87-E89 WeakPolarHBondContact CA-OE1 3.48Å; S87-E89 WeakPolarHBondContact CB-OE1 3.3Å; S87-E89 PolarHBondContact OG-OE1 3.41Å
88A47.4Very low40Very low104 Ų104144.4 Ų144.486%0.8679%0.785SS**  trans-13953.6-177.700000109.1
89E45.4Very low39.7Very low137 Ų137138.7 Ų138.764%0.6478%0.782SS**  trans-134.6148.2176.932.3-91.3118.700111.4S87S87-E89 VanDerWaalsContact CA-OE1 3.23Å; S87-E89 WeakPolarHBondContact CA-OE1 3.48Å; S87-E89 WeakPolarHBondContact CB-OE1 3.3Å; S87-E89 PolarHBondContact OG-OE1 3.41Å
90D40.3Very low39.3Very low152 Ų152143.7 Ų143.781%0.81379%0.786SS**  trans40.9112.2168.1-79.5-83000120.9
91M41.7Very low39Very low175 Ų175142.1 Ų142.186%0.86278%0.782SS**  -17315096.6-96.9171.865.100113.2
92V60.9Low38.8Very low116 Ų116138 Ų13870%0.70377%0.772SS**  trans-88.4-174.9172.2-72.20000111.9
93H41.8Very low38.8Very low161 Ų161139.8 Ų139.875%0.74578%0.779SS**  trans85.2146.9-179.8-58-85.3000116.6
94R35.9Very low38.6Very low205 Ų205137.7 Ų137.777%0.77478%0.779SS**  cis-159.3176.8-32.8-138.7-169-168.2-127.89.6108.7
95E34.9Very low38.6Very low141 Ų141135.3 Ų135.366%0.65977%0.774SS**  trans-44.8148.5-177.8-56.6135106.500116.9
96C35.1Very low38.5Very low114 Ų114132.4 Ų132.477%0.7777%0.774SS**  -163.8127.5111.5-122.40000114.3
97L37.8Very low39.3Very low163 Ų163134.6 Ų134.685%0.85377%0.774SS**  trans24.7125.7140.6-51.6175.1000118
98S28.8Very low39.8Very low122 Ų122140.2 Ų140.285%0.85379%0.786SS**  -148.5135.869.8-178.80000113.9
99A37.4Very low39.4Very low89 Ų89137.9 Ų137.974%0.73677%0.773SS**  trans-140.2135.7165.400000109.9
100Q30.7Very low38.9Very low181 Ų181141.6 Ų141.685%0.84679%0.787SS**  trans-126.8100.2161.2-83.2-175.9-1100106.2
101T31.4Very low38.6Very low117 Ų117141.8 Ų141.872%0.71879%0.788SS**  65.9105.9101.356.70000112.6
102A38.4Very low38.4Very low86 Ų86139.2 Ų139.271%0.71179%0.787SS**  73.6137.669.200000111.8
103V37.9Very low38Very low126 Ų126139.6 Ų139.676%0.76479%0.792SS**  cis-160.7171.62.4-107.70000109.6
104V35.8Very low37.5Very low144 Ų144137.1 Ų137.187%0.87379%0.793SS**  trans58.7153.1170.8-56.90000117.8
105G39.7Very low37.5Very low69 Ų69133.3 Ų133.371%0.71180%0.797SS**  cis12388-10.800000114.9
106D34.3Very low37.3Very low166 Ų166129.9 Ų129.989%0.88880%0.8SS**  trans-158.9170.1158.2-140.3-43.7000112
107M56.2Low37.2Very low160 Ų160130.9 Ų130.979%0.78881%0.808SS**  trans-115.4130.3-171.2-69.4164.243.300112.9
108F43.2Very low36.9Very low216 Ų216127 Ų12795%0.94781%0.809SS**  trans-170.3143147.6-91.1-68.1000108.2
109G39.6Very low37Very low56 Ų56125.3 Ų125.358%0.57781%0.81SS**  cis123.384.40.400000112.5
110K34.7Very low36.6Very low214 Ų214125.1 Ų125.193%0.9382%0.817SS**  trans-164.9131.5166.1-104.7137.3-172.7173.50113.1
111N33.5Very low36.6Very low156 Ų156120.4 Ų120.483%0.83482%0.817SS**  trans-77.1161.9176.3-72.9-11.5000112.9
112S37.8Very low36.6Very low122 Ų122119.5 Ų119.585%0.85382%0.821SS**  -163.7155.9112-80.50000112.6
113P53Low36.2Very low123 Ų123120.5 Ų120.580%0.79983%0.829SS**  trans-129.8178.5-153.642.7-27.4000116.1
114S32.3Very low35.7Very low110 Ų110118 Ų11877%0.76983%0.829SS**  trans-149.2141.2153.552.20000112.6
115S35.2Very low35.5Very low124 Ų124116.8 Ų116.887%0.86783%0.834SS**  trans14.4137.3158.254.90000121.5
116G31.2Very low35.2Very low70 Ų70116.8 Ų116.872%0.72283%0.834SS**  cis152.7142.1-300000113.1
117S33.2Very low35.1Very low134 Ų134115 Ų11594%0.93784%0.835SS**  trans60.5143.1-178.3-58.40000115.9
118G30.6Very low34.1Very low83 Ų83112.4 Ų112.486%0.85684%0.839SS**  cis113126.611.900000110.3
119G31Very low33.5Very low86 Ų86107.3 Ų107.389%0.88784%0.836SS**  cis179.3169.5-5.300000110.6
120G30.2Very low33.3Very low85 Ų85109.2 Ų109.288%0.87685%0.846SS**  trans132150.8177.200000114.7
121G29.3Very low33.5Very low82 Ų82104 Ų10485%0.84584%0.843SS**  trans-104.3-166.8179.500000114
122A31.2Very low33.4Very low97 Ų97101.5 Ų101.580%0.80284%0.844SS**  cis-161168.46.800000113.3
123A29.8Very low33.5Very low108 Ų10899.7 Ų99.789%0.89384%0.837SS**  trans64.8139.8157.100000120.8
124G28.7Very low32.8Very low74 Ų7498.5 Ų98.576%0.76384%0.838SS**  trans145.891156.600000117.8
125A32Very low33.4Very low117 Ų11798.1 Ų98.197%0.96784%0.835SS**  trans58.3161.6162.400000118.5
126G32.7Very low34.1Very low69 Ų69100.6 Ų100.671%0.71183%0.83SS**  trans-151.6162.8-179.400000113.7
127S33.1Very low34.8Very low130 Ų130106.5 Ų106.591%0.90983%0.832SS**  trans-159.1148.8164.5-820000109.1
128A33.9Very low35.5Very low105 Ų105102.8 Ų102.887%0.86882%0.815SS**  trans-72.4141.7-169.300000112.8A130A128-A130 PolarHBondContact O-N 2.92Å
129A29.9Very low36.4Very low108 Ų108104.5 Ų104.589%0.89381%0.813SS**  trans-80116173.600000110.8
130A36.8Very low37.3Very low96 Ų96106.6 Ų106.679%0.79381%0.809SS**  trans-97.6141.916100000109.2A128 A132A128-A130 PolarHBondContact O-N 2.92Å; A130-A132 PolarHBondContact O-N 2.58Å
131A37.7Very low38.1Very low104 Ų104105.3 Ų105.386%0.8680%0.796SS**  trans-67.2118.2-168.900000112.8A133A131-A133 VanDerWaalsContact C-N 3.29Å; A131-A133 PolarHBondContact O-N 2.88Å
132A32.5Very low39.4Very low104 Ų104113.4 Ų113.486%0.8680%0.801SS**  trans-74.676.8175.300000111.7A130 A134A130-A132 PolarHBondContact O-N 2.58Å; A132-A134 PolarHBondContact O-N 3Å
133A39.1Very low40.5Very low85 Ų85115.8 Ų115.870%0.70280%0.8SS**  trans-61.8127.7159.900000108.7A131 S135A131-A133 VanDerWaalsContact C-N 3.29Å; A131-A133 PolarHBondContact O-N 2.88Å; A133-S135 PolarHBondContact O-N 3.46Å
134A38.9Very low41.8Very low98 Ų98114.3 Ų114.381%0.8180%0.796SS**  trans-72.992.7-171.300000112.2A132 F136A132-A134 PolarHBondContact O-N 3Å; A134-F136 VanDerWaalsContact C-N 3.28Å; A134-F136 PolarHBondContact O-N 3.5Å
135S43.7Very low43.4Very low101 Ų101117.1 Ų117.171%0.70680%0.798SS**  trans-67.277.6176.5-67.10000112.6A133 Y137 G138A133-S135 PolarHBondContact O-N 3.46Å; S135-Y137 PolarHBondContact O-N 2.97Å; S135-G138 PolarHBondContact O-N 3.4Å
136F50.5Low44.6Very low176 Ų176116.8 Ų116.877%0.77278%0.779SS**THydrogen-bonded Turntrans-61.2-6.5-175.1-170.6-103.9000115.6A134A134-F136 VanDerWaalsContact C-N 3.28Å; A134-F136 PolarHBondContact O-N 3.5Å
137Y45.4Very low46.1Very low195 Ų195118 Ų11877%0.76577%0.774SS**THydrogen-bonded Turntrans-127.922.5173.2-75.7-71.3000113.8S135S135-Y137 PolarHBondContact O-N 2.97Å
138G48.3Very low47.4Very low56 Ų56119.8 Ų119.858%0.57777%0.768SS**SBendtrans-71.7126.8169.400000111.9S135S135-G138 PolarHBondContact O-N 3.4Å
139S50.3Low48.8Very low118 Ų118119 Ų11983%0.82576%0.761SS**  trans64.158.6171-169.80000117.3
140V48.9Very low50.2Low130 Ų130119 Ų11979%0.78874%0.741SS**  trans-70.4130.5141.4-71.40000108.4
141G47.4Very low51.7Low58 Ų58118.7 Ų118.760%0.59873%0.727SS**  trans-69.4157.3-162.100000115.5N143G141-N143 PolarHBondContact O-N 3.13Å
142R56.3Low53.1Low253 Ų253120.4 Ų120.496%0.95572%0.717SS**SBendtrans-69.436.6178.2-69.1178.4165.1174.5-6.6114.3
143N53.7Low54.7Low146 Ų146122.4 Ų122.478%0.78171%0.706SS**  trans-107.451.5-170.6-65.9-7.8000112.7G141 V145G141-N143 PolarHBondContact O-N 3.13Å; N143-V145 PolarHBondContact O-N 2.92Å
144G58Low55.7Low78 Ų78124.8 Ų124.880%0.80470%0.698SS**SBendtrans63.841.3141.200000120.6
145V61.5Low56.6Low133 Ų133126.9 Ų126.981%0.80669%0.691SS**  trans-133.543.3169.7-154.60000113.7N143N143-V145 PolarHBondContact O-N 2.92Å
146L58.8Low57.4Low110 Ų110127.7 Ų127.758%0.57669%0.692SS**SBendtrans-126.4144157.8-84.189.9000109.6F150L146-F150 HydrophobicContact CB-CB 4.48Å; L146-F150 HydrophobicContact CD2-CB 3.75Å; L146-F150 HydrophobicContact CD2-CD1 3.94Å; L146-F150 HydrophobicContact CD2-CG 3.86Å
147P64.4Low58Low94 Ų94122.3 Ų122.361%0.6168%0.68SS**  trans-63.8139.6168-18.532000110.5A149 F150P147-A149 PolarHBondContact O-N 2.82Å; P147-F150 PolarHBondContact O-N 2.65Å
148Q59.2Low58.5Low168 Ų168122.6 Ų122.679%0.78568%0.681SS**G310 helixtrans-55.2-20.9-176.5-163.4171.32.200114.4F150 D151Q148-F150 PolarHBondContact O-N 3.12Å; Q148-F150 VanDerWaalsContact O-N 3.14Å; Q148-D151 WeakPolarHBondContact CA-OD2 3.25Å; Q148-D151 PolarHBondContact O-N 3.49Å
149A63.8Low58.3Low87 Ų87122.9 Ų122.972%0.71968%0.683SS**G310 helixtrans-62.5-11170.800000114.8P147P147-A149 PolarHBondContact O-N 2.82Å
150F59.6Low57.4Low108 Ų108125.2 Ų125.247%0.47469%0.687SS.*G310 helixtrans-91-16.8174.8-105-95.9000114.2L146 P147 Q148 Q152 F153 Y154L146-F150 HydrophobicContact CB-CB 4.48Å; L146-F150 HydrophobicContact CD2-CB 3.75Å; L146-F150 HydrophobicContact CD2-CD1 3.94Å; L146-F150 HydrophobicContact CD2-CG 3.86Å; P147-F150 PolarHBondContact O-N 2.65Å; Q148-F150 PolarHBondContact O-N 3.12Å; Q148-F150 VanDerWaalsContact O-N 3.14Å; F150-Q152 VanDerWaalsContact C-N 3.35Å; F150-Q152 PolarHBondContact O-N 3.11Å; F150-F153 WeakPolarHBondContact O-CB 3.16Å; F150-F153 PolarHBondContact O-N 3.17Å; F150-Y154 WeakPolarHBondContact O-CD2 3.33Å
151D68.6Low57.1Low91 Ų91123.3 Ų123.349%0.48768%0.684SS.*Hα-helixtrans-66.5-39.6-176.5-63.5-42.3000111.3Q148 F153 Y154 E155Q148-D151 WeakPolarHBondContact CA-OD2 3.25Å; Q148-D151 PolarHBondContact O-N 3.49Å; D151-F153 PolarHBondContact O-N 2.83Å; D151-F153 VanDerWaalsContact O-N 3.11Å; D151-Y154 PolarHBondContact O-N 2.7Å; D151-E155 PolarHBondContact O-N 2.8Å
152Q65.6Low56.3Low140 Ų140125.5 Ų125.565%0.65469%0.691SS**Hα-helixtrans-57.5-27.1177.2-164.5174.829.500113.3F150 T156F150-Q152 VanDerWaalsContact C-N 3.35Å; F150-Q152 PolarHBondContact O-N 3.11Å; Q152-T156 WeakPolarHBondContact O-CB 3.23Å; Q152-T156 PolarHBondContact O-N 3.17Å; Q152-T156 VanDerWaalsContact O-N 3.16Å; Q152-T156 PolarHBondContact O-OG1 3.35Å
153F66.1Low55.2Low145 Ų145122.1 Ų122.164%0.63669%0.686SS**Hα-helixtrans-70.9-35.4175.6-179.7-96.4000112.4F150 D151F150-F153 WeakPolarHBondContact O-CB 3.16Å; F150-F153 PolarHBondContact O-N 3.17Å; D151-F153 PolarHBondContact O-N 2.83Å; D151-F153 VanDerWaalsContact O-N 3.11Å
154Y61.4Low54.2Low136 Ų136120.6 Ų120.653%0.53369%0.687SS.*Hα-helixtrans-79.6-38.8176.2-71-78.1000112F150 D151 T156 A157 Y158F150-Y154 WeakPolarHBondContact O-CD2 3.33Å; D151-Y154 PolarHBondContact O-N 2.7Å; Y154-T156 VanDerWaalsContact C-N 3.31Å; Y154-T156 PolarHBondContact O-N 3.33Å; Y154-A157 WeakPolarHBondContact O-CB 3.41Å; Y154-A157 PolarHBondContact O-N 2.87Å; Y154-Y158 PolarHBondContact O-N 2.88Å
155E56.8Low52.8Low141 Ų141121.8 Ų121.866%0.65968%0.683SS**Hα-helixtrans-61.3-39.4177.8-163.2166.5-12800111.9D151 A157 Y158 G159D151-E155 PolarHBondContact O-N 2.8Å; E155-A157 PolarHBondContact O-N 3.17Å; E155-Y158 PolarHBondContact O-N 2.93Å; E155-G159 WeakPolarHBondContact O-CA 3.14Å; E155-G159 PolarHBondContact O-N 2.79Å
156T61.4Low51.3Low119 Ų119120 Ų12073%0.7368%0.676SS**THydrogen-bonded Turntrans-63.4-24173.9-55.30000113.4Q152 Y154Q152-T156 WeakPolarHBondContact O-CB 3.23Å; Q152-T156 PolarHBondContact O-N 3.17Å; Q152-T156 VanDerWaalsContact O-N 3.16Å; Q152-T156 PolarHBondContact O-OG1 3.35Å; Y154-T156 VanDerWaalsContact C-N 3.31Å; Y154-T156 PolarHBondContact O-N 3.33Å
157A63.1Low50Low62 Ų62120.1 Ų120.151%0.51269%0.686SS.*THydrogen-bonded Turntrans-88.4-17.8-176.900000114.2Y154 E155Y154-A157 WeakPolarHBondContact O-CB 3.41Å; Y154-A157 PolarHBondContact O-N 2.87Å; E155-A157 PolarHBondContact O-N 3.17Å
158Y56Low48.5Very low202 Ų202121.8 Ų121.879%0.79269%0.694SS**SBendtrans-142.754.2-175.7-59.7-82.5000110.5Y154 E155Y154-Y158 PolarHBondContact O-N 2.88Å; E155-Y158 PolarHBondContact O-N 2.93Å
159G43.1Very low47.2Very low61 Ų61120.9 Ų120.963%0.62970%0.695SS**  trans-77.7171.4-164.800000116.7E155E155-G159 WeakPolarHBondContact O-CA 3.14Å; E155-G159 PolarHBondContact O-N 2.79Å
160N30.8Very low45.6Very low168 Ų168123.4 Ų123.490%0.89870%0.701SS**  trans-144.5164.8160.6-167.719000108.8
161A42.6Very low44.2Very low89 Ų89122.2 Ų122.274%0.73671%0.712SS**  trans-105.6129.6-170.400000114.1
162S31.7Very low42.4Very low105 Ų105127.9 Ų127.973%0.73473%0.732SS**  trans-162.3112.5156.8570000112.6
163E33Very low40.8Very low181 Ų181126.4 Ų126.485%0.84674%0.738SS**  trans57.4124.9140.8-54.6-174.9112.400122.8
164S32.3Very low39.1Very low115 Ų115123.2 Ų123.280%0.80475%0.745SS**  trans68.1145.2133.1-63.70000121.5
165S29.1Very low37.5Very low102 Ų102122.8 Ų122.871%0.71375%0.753SS**  cis-166.4158.4-9.150.10000113.8
166S30.5Very low36.4Very low95 Ų95124.6 Ų124.666%0.66476%0.758SS**  trans61.7114.9142.963.70000123.6
167S31.2Very low35Very low113 Ų113125.1 Ų125.179%0.7976%0.761SS**  65.3163.9120.1-43.70000120.1
168V32.8Very low34Very low130 Ų130127.6 Ų127.679%0.78877%0.772SS**  cis-140.716215.7-172.70000111
169N31.1Very low32.7Very low148 Ų148122.7 Ų122.779%0.79177%0.774SS**  trans-71.2173.8172.5-44-71.8000114.2
170T30.1Very low32.1Very low140 Ų140124.8 Ų124.886%0.85978%0.778SS**  178.7157.6115.4-70.20000110.5
171A31.2Very low32.1Very low84 Ų84126.4 Ų126.469%0.69478%0.778SS**  trans-127.8164.4-179.800000111.7
172F29.4Very low31.4Very low209 Ų209130.4 Ų130.492%0.91778%0.781SS**  trans-162.3177.7145.4-132.4-100.2000113.6
173S33Very low31.9Very low110 Ų110131.2 Ų131.277%0.76978%0.784SS**  trans-120163.4-157.9-52.60000116.2
174G29.6Very low31.5Very low77 Ų77129.9 Ų129.979%0.79478%0.777SS**  trans128.1155.7152.800000114.6
175D29.4Very low31.4Very low128 Ų128133.3 Ų133.368%0.68478%0.781SS**  cis176.9165.9-23.7176.2-139000106
176K33.7Very low31.5Very low179 Ų179134.5 Ų134.578%0.77878%0.784SS**  trans71.9113.7166-84.6152.4-169.7143.30121.7
177T31.9Very low32.1Very low129 Ų129135.5 Ų135.579%0.79179%0.788SS**  trans-82.4173.5141.4630000109.6
178P41.4Very low31.8Very low115 Ų115135 Ų13575%0.74779%0.785SS**  -154.6167.681.741.5-22.7000117.3
179A29.7Very low31.5Very low99 Ų99134.1 Ų134.182%0.81878%0.783SS**  trans51.5154.1140.500000122.4
180S28.8Very low31.5Very low104 Ų104138.2 Ų138.273%0.72779%0.787SS**  cis-177.6151.4-18.5174.10000108.8
181K30.8Very low31.5Very low203 Ų203137.7 Ų137.788%0.88378%0.779SS**  trans152.1137.3132.6-83178-178.7-176.60114.5
182Q29.3Very low31.8Very low172 Ų172138.5 Ų138.580%0.80478%0.78SS**  trans-100.2175.9164.8-135.9-180-4.900108.4
183P41Very low32.1Very low122 Ų122135.6 Ų135.679%0.79277%0.769SS**  -148.1-159.865.240.7-18.4000115.6
184E25.9Very low32.2Very low153 Ų153134.4 Ų134.472%0.71577%0.766SS**  trans-88.7169.7-164.1-40.9171.9110.300116.5
185Q29.9Very low32.6Very low188 Ų188137.3 Ų137.388%0.87976%0.757SS**  -171.1169.9112.3-102.1153.510400115
186T30.1Very low33Very low127 Ų127137.4 Ų137.478%0.77975%0.753SS**  trans-101.5164.9-173.260.60000112.5
187P43.3Very low32.8Very low116 Ų116137 Ų13775%0.75375%0.754SS**  -144.2-175.583.544.3-26.8000112.1
188S26.1Very low33.1Very low103 Ų103138.4 Ų138.472%0.7275%0.745SS**  cis80.1135.317.2-168.10000115.4
189C26.4Very low33Very low111 Ų111140.4 Ų140.475%0.7574%0.744SS**  cis-166.2177.4-17.9-110.60000109.9
190R31.6Very low33.4Very low233 Ų233142.2 Ų142.288%0.87974%0.736SS**  trans74.9153.7155.6-89.9-175.1173.6152.10.9119.5
191D29.8Very low33.4Very low130 Ų130143.4 Ų143.470%0.69574%0.738SS**  cis-161.7174.9-7.5-157.8-111.2000112.8
192S36.6Very low33.6Very low100 Ų100138.8 Ų138.870%0.69973%0.732SS**  trans158.9-176.3158-71.30000118
193E35.7Very low34Very low148 Ų148135.3 Ų135.369%0.69273%0.726SS**  trans-136.8179.6-174.5-96.2-110.977.800109.7K195E193-K195 WeakPolarHBondContact OE1-CG 3.25Å
194A35.6Very low34.6Very low85 Ų85135.1 Ų135.170%0.70273%0.725SS**  cis-142.715019.900000110.8
195K37.7Very low35.3Very low138 Ų138134.9 Ų134.960%0.672%0.724SS**  67.1136.864.5-101.5-163.7174.1-134.50114.6E193E193-K195 WeakPolarHBondContact OE1-CG 3.25Å
196E37.5Very low35.7Very low131 Ų131132.9 Ų132.961%0.61272%0.719SS**  cis-164.6172.90.5-160.2165.9-151.300113.2
197Q29.8Very low36Very low169 Ų169132.7 Ų132.779%0.7972%0.722SS**  trans88.1147.9156.8-58.8-176.610.800120.6
198R37.3Very low35.7Very low160 Ų160132.4 Ų132.460%0.60472%0.723SS**  cis-168.9121.1-28.1174.7178.5179.9-91.4-14110.4E200R198-E200 IonicContact CZ-OE2 2.7Å; R198-E200 IonicContact NH1-OE2 3.79Å; R198-E200 PolarHBondContact NH1-OE2 2.88Å; R198-E200 IonicContact NH2-OE2 3.76Å; R198-E200 PolarHBondContact NH2-OE2 3.37Å
199E41Very low36Very low157 Ų157131.1 Ų131.173%0.73473%0.726SS**  trans41-179.2146.8-49.2173.6139.300118.9
200E37.3Very low36.7Very low137 Ų137132.3 Ų132.364%0.6473%0.725SS**  cis-140.6155.2-1.2-51.3167.821.900105.3R198R198-E200 IonicContact CZ-OE2 2.7Å; R198-E200 IonicContact NH1-OE2 3.79Å; R198-E200 PolarHBondContact NH1-OE2 2.88Å; R198-E200 IonicContact NH2-OE2 3.76Å; R198-E200 PolarHBondContact NH2-OE2 3.37Å
201T29Very low37Very low128 Ų128129.2 Ų129.279%0.78573%0.726SS**  cis-139.7-154.48.749.10000107.2
202S34.2Very low37.9Very low106 Ų106131.4 Ų131.474%0.74173%0.732SS**  cis-162.3-178.6-1.5-154.40000110.4
203S39.2Very low38Very low99 Ų99134.2 Ų134.269%0.69273%0.734SS**  trans-130.5177.4167.6-58.20000111.3
204P52.8Low38.5Very low118 Ų118134.9 Ų134.977%0.76674%0.735SS**  -144.1149.782.738.3-22.1000116.9
205E39.7Very low39Very low149 Ų149136.9 Ų136.970%0.69674%0.744SS**  20.2144.8125.2-47.8-56.37800119.8
206L39.2Very low39.1Very low146 Ų146135.9 Ų135.976%0.76475%0.754SS**  cis-168.4154.7-5.8-113.1173.4000108.1
207S37.1Very low39.3Very low122 Ų122135.6 Ų135.685%0.85377%0.766SS**  trans-160.7147.6147.8-162.60000111.5
208S36.8Very low39.9Very low111 Ų111131.5 Ų131.578%0.77677%0.769SS**  trans-108.5155.3-169.6-172.90000112.8
209G31.9Very low39.9Very low75 Ų75129 Ų12977%0.77378%0.777SS**  trans-175.552.2-175.400000115
210N40.9Very low40.3Very low137 Ų137127.8 Ų127.873%0.73379%0.785SS**  trans-62.9139.3172-81.122.4000111.6
211N38.1Very low40.6Very low167 Ų167125.8 Ų125.889%0.89379%0.786SS**  trans-158.294153.4-106.7-34.3000109.2
212E49.5Very low41.7Very low176 Ų176123.5 Ų123.582%0.82278%0.776SS**  trans-102.7116.4168.6-66.6-175.398.100109.1
213E38.5Very low42.2Very low159 Ų159121 Ų12174%0.74377%0.767SS**  trans-163.8161.2142.459.4175116.900115.7
214K46.2Very low43.1Very low163 Ų163124.8 Ų124.871%0.70977%0.774SS**  trans63.980.9165.6-97.860.7161.6-150.30118.6S216K214-S216 PolarHBondContact O-N 2.97Å
215S44.3Very low43.6Very low127 Ų127130.7 Ų130.789%0.88878%0.781SS**  trans-42.7125.4130.7-50.30000111.7
216S40.9Very low44.9Very low116 Ų116130 Ų13081%0.81179%0.787SS**  trans-125.5116162.960.80000109.4K214K214-S216 PolarHBondContact O-N 2.97Å
217S42Very low46.8Very low125 Ų125133 Ų13387%0.87479%0.788SS**  trans-81.1144.1-175.847.30000112.6
218G42.3Very low49Very low83 Ų83136.9 Ų136.986%0.85679%0.789SS**  trans69.490.7152.100000117.8
219S38Very low51.4Low109 Ų109141.1 Ų141.176%0.76279%0.794SS**  trans-138102.5143.4-167.30000110.4S221S219-S221 PolarHBondContact O-N 3.39Å
220S48.1Very low54.2Low130 Ų130148.2 Ų148.291%0.90980%0.797SS**  trans-7648179.443.90000112.3S222S220-S222 PolarHBondContact O-N 3.26Å
221S44.8Very low56.6Low95 Ų95147 Ų14766%0.66480%0.799SS**  trans-57127.1175.164.20000110.3S219 G223S219-S221 PolarHBondContact O-N 3.39Å; S221-G223 PolarHBondContact O-N 3.11Å
222S50.7Low59.4Low80 Ų80144.3 Ų144.356%0.55979%0.79SS**  trans-75.674.4-179.754.30000110.2S220 Q224S220-S222 PolarHBondContact O-N 3.26Å; S222-Q224 PolarHBondContact O-N 3.38Å
223G45.4Very low61.7Low55 Ų55139.3 Ų139.357%0.56776%0.764SS**  trans-60.597.5-169.700000113.3S221 R225S221-G223 PolarHBondContact O-N 3.11Å; G223-R225 PolarHBondContact O-N 2.73Å
224Q57.7Low64.5Low178 Ų178134.8 Ų134.883%0.83275%0.75SS**  trans-58.1106.9157.4-74.6-160-3.500107.5S222 T226S222-Q224 PolarHBondContact O-N 3.38Å; Q224-T226 VanDerWaalsContact C-N 3.29Å; Q224-T226 PolarHBondContact O-N 3.21Å
225R62.6Low67Low241 Ų241135.7 Ų135.791%0.90975%0.754SS**  trans-68.787.9-176.4-56.1-179.582.4-179.29108.5G223 R227G223-R225 PolarHBondContact O-N 2.73Å; R225-R227 PolarHBondContact O-N 3.46Å
226T67.6Low69.6Low134 Ų134134.5 Ų134.582%0.82273%0.731SS**  trans-51.3107.4-174.627.30000109.9Q224 K228Q224-T226 VanDerWaalsContact C-N 3.29Å; Q224-T226 PolarHBondContact O-N 3.21Å; T226-K228 PolarHBondContact O-N 3.36Å
227R79.6Confident72.3Confident211 Ų211130.6 Ų130.680%0.79670%0.7SS**  trans-64.6102.6-167.5-171.6-175.2-168.6-177.58.7109.4R225 K229R225-R227 PolarHBondContact O-N 3.46Å; R227-K229 PolarHBondContact O-N 2.87Å; R227-K229 VanDerWaalsContact O-N 3.11Å
228K83.4Confident75Confident202 Ų202127.4 Ų127.488%0.87867%0.673SS**  trans-45.4118.2-175.8-156.3155.4-174.2166.80109.8T226 R230T226-K228 PolarHBondContact O-N 3.36Å; K228-R230 PolarHBondContact O-N 3.31Å
229K86.6Confident77.7Confident201 Ų201130 Ų13087%0.87466%0.657SS**PPolyproline II helixtrans-55137.7-170.9-66.3-82.7-170.9170.40109.5R227 C231R227-K229 PolarHBondContact O-N 2.87Å; R227-K229 VanDerWaalsContact O-N 3.11Å; K229-C231 PolarHBondContact O-N 3.23Å
230R91.4Very high80.5Confident223 Ų223125.4 Ų125.484%0.84262%0.623SS**PPolyproline II helixtrans-72.8117.5178.6-75.3179.2167.7176.7-5.2109.5K228K228-R230 PolarHBondContact O-N 3.31Å
231C91.7Very high82.9Confident113 Ų113119.2 Ų119.276%0.76458%0.58SS**PPolyproline II helixtrans-80.7132.9164.5-163.40000109.2K229K229-C231 PolarHBondContact O-N 3.23Å
232P95.5Very high85.5Confident110 Ų110118.7 Ų118.771%0.71457%0.567SS**PPolyproline II helixtrans-70156.3171.430.6-35.1000111.2
233Y97.8Very high87.7Confident70 Ų70120 Ų12028%0.27556%0.56SS.*PPolyproline II helixtrans-76.5142.9172.5-60.1-51.6000111L265 Q269 W273Y233-L265 HydrophobicContact CD1-CD1 4.24Å; Y233-L265 HydrophobicContact CD1-CD2 3.84Å; Y233-L265 HydrophobicContact CE1-CD1 4.15Å; Y233-L265 HydrophobicContact CE1-CD2 3.64Å; Y233-Q269 WeakPolarHBondContact OH-CB 3.38Å; Y233-W273 AromaticContact CD2-CD1 3.85Å; Y233-W273 AromaticContact CE2-CD1 3.75Å
234S98.4Very high90.3Very high65 Ų65119.2 Ų119.246%0.45554%0.541SS..PPolyproline II helixtrans-64.7151.8175.9172.60000111.8Y236 Q237 I238S234-Y236 PolarHBondContact O-N 3.1Å; S234-Y236 VanDerWaalsContact O-N 3.15Å; S234-Y236 PolarHBondContact OG-N 3.33Å; S234-Q237 PolarHBondContact O-N 3.32Å; S234-I238 WeakPolarHBondContact O-CG1 3.23Å; S234-I238 PolarHBondContact O-N 2.88Å
235K98.1Very high92.2Very high182 Ų182111 Ų11179%0.79150%0.503SS*.Hα-helixtrans-52.3-34.6172.7-65.3-176.2-179.5179.90112.3R239K235-R239 PolarHBondContact O-N 2.74Å
236Y98.2Very high93.8Very high102 Ų102108 Ų10840%0.450%0.497SS..Hα-helixtrans-64.8-57.1173.2175.2-108.5000111S234 I238 R239 E240 L263S234-Y236 PolarHBondContact O-N 3.1Å; S234-Y236 VanDerWaalsContact O-N 3.15Å; S234-Y236 PolarHBondContact OG-N 3.33Å; Y236-I238 VanDerWaalsContact C-N 3.26Å; Y236-I238 PolarHBondContact O-N 3.01Å; Y236-R239 PolarHBondContact O-N 2.76Å; Y236-E240 HydrophobicContact CD1-CG 4.4Å; Y236-E240 HydrophobicContact CD2-CG 4.03Å; Y236-E240 HydrophobicContact CE1-CG 4.01Å; Y236-E240 VanDerWaalsContact CE2-CD 3.49Å; Y236-E240 HydrophobicContact CE2-CG 3.58Å; Y236-E240 WeakPolarHBondContact CE2-OE1 3.08Å; Y236-E240 HydrophobicContact CG-CG 4.41Å; Y236-E240 WeakPolarHBondContact O-CG 3.43Å; Y236-E240 PolarHBondContact O-N 2.66Å; Y236-E240 VanDerWaalsContact O-N 3.09Å; Y236-L263 HydrophobicContact CD1-CD2 4.1Å; Y236-L263 HydrophobicContact CE1-CD2 3.62Å
237Q98.4Very high95.2Very high34 Ų34108.6 Ų108.616%0.15949%0.488CS..Hα-helixtrans-52.9-43.1-180-65.2172.7-37.700112.3S234 L241 L263S234-Q237 PolarHBondContact O-N 3.32Å; Q237-L241 WeakPolarHBondContact O-CB 3.26Å; Q237-L241 VanDerWaalsContact O-CD1 3.25Å; Q237-L241 WeakPolarHBondContact O-CD1 3.45Å; Q237-L241 WeakPolarHBondContact O-CG 3.35Å; Q237-L241 PolarHBondContact O-N 2.7Å; Q237-L241 VanDerWaalsContact O-N 3.15Å; Q237-L263 HydrophobicContact CG-CB 4.23Å; Q237-L263 HydrophobicContact CG-CD2 4.43Å; Q237-L263 PolarHBondContact NE2-O 2.81Å
238I98.3Very high96Very high58 Ų58101 Ų10130%0.29747%0.467SS..Hα-helixtrans-61.7-48.6177.1-64.6167.2000110.9S234 Y236 E240 L241 E242S234-I238 WeakPolarHBondContact O-CG1 3.23Å; S234-I238 PolarHBondContact O-N 2.88Å; Y236-I238 VanDerWaalsContact C-N 3.26Å; Y236-I238 PolarHBondContact O-N 3.01Å; I238-E240 PolarHBondContact O-N 3.15Å; I238-L241 PolarHBondContact O-N 3.38Å; I238-E242 HydrophobicContact CG2-CG 4.27Å; I238-E242 WeakPolarHBondContact O-CB 3.48Å; I238-E242 WeakPolarHBondContact O-CG 3.42Å; I238-E242 PolarHBondContact O-N 2.94Å
239R98.5Very high96.7Very high137 Ų13794.1 Ų94.152%0.51744%0.442SS..Hα-helixtrans-60.6-44-178.6-166.7-162.8-56.1109.2-5.4112.7K235 Y236 E242 R243K235-R239 PolarHBondContact O-N 2.74Å; Y236-R239 PolarHBondContact O-N 2.76Å; R239-E242 PolarHBondContact O-N 2.98Å; R239-R243 PolarHBondContact O-N 3.41Å
240E98.4Very high97.2Very high13 Ų1391.8 Ų91.86%0.06143%0.429CS..Hα-helixtrans-66.2-40179.8-54.7-51.511000111.5Y236 I238 R243 E244 M262 L263Y236-E240 HydrophobicContact CD1-CG 4.4Å; Y236-E240 HydrophobicContact CD2-CG 4.03Å; Y236-E240 HydrophobicContact CE1-CG 4.01Å; Y236-E240 VanDerWaalsContact CE2-CD 3.49Å; Y236-E240 HydrophobicContact CE2-CG 3.58Å; Y236-E240 WeakPolarHBondContact CE2-OE1 3.08Å; Y236-E240 HydrophobicContact CG-CG 4.41Å; Y236-E240 WeakPolarHBondContact O-CG 3.43Å; Y236-E240 PolarHBondContact O-N 2.66Å; Y236-E240 VanDerWaalsContact O-N 3.09Å; I238-E240 PolarHBondContact O-N 3.15Å; E240-R243 PolarHBondContact O-N 3.11Å; E240-R243 IonicContact OE1-CZ 3.8Å; E240-R243 IonicContact OE1-NH1 3.9Å; E240-R243 IonicContact OE1-NH2 2.91Å; E240-R243 PolarHBondContact OE1-NH2 3.33Å; E240-R243 IonicContact OE2-CZ 3.2Å; E240-R243 IonicContact OE2-NH1 2.68Å; E240-R243 PolarHBondContact OE2-NH1 3.33Å; E240-R243 IonicContact OE2-NH2 2.81Å; E240-R243 PolarHBondContact OE2-NH2 3.06Å; E240-E244 PolarHBondContact O-N 3.42Å; E240-E244 VanDerWaalsContact O-N 3.15Å; E240-M262 HydrophobicContact CB-CE 3.97Å; E240-M262 HydrophobicContact CG-CE 3.97Å; E240-L263 HydrophobicContact CB-CD1 4.17Å; E240-L263 HydrophobicContact CB-CD2 3.78Å; E240-L263 HydrophobicContact CG-CD2 3.73Å
241L98.5Very high97.5Very high0 Ų082.2 Ų82.20%039%0.394CS..Hα-helixtrans-65.1-38.8174.3-70.3163.8000112Q237 I238 F245 L259 L263 L265 V270 W273 F274Q237-L241 WeakPolarHBondContact O-CB 3.26Å; Q237-L241 VanDerWaalsContact O-CD1 3.25Å; Q237-L241 WeakPolarHBondContact O-CD1 3.45Å; Q237-L241 WeakPolarHBondContact O-CG 3.35Å; Q237-L241 PolarHBondContact O-N 2.7Å; Q237-L241 VanDerWaalsContact O-N 3.15Å; I238-L241 PolarHBondContact O-N 3.38Å; L241-F245 VanDerWaalsContact O-CB 3.26Å; L241-F245 WeakPolarHBondContact O-CB 3.5Å; L241-F245 PolarHBondContact O-N 3.21Å; L241-L259 HydrophobicContact CD2-CD1 4.01Å; L241-L263 HydrophobicContact CD1-CD1 4.16Å; L241-L263 HydrophobicContact CD2-CD1 3.98Å; L241-L263 HydrophobicContact CG-CD1 3.66Å; L241-L265 HydrophobicContact CD1-CD1 4.14Å; L241-V270 HydrophobicContact CD2-CG1 3.88Å; L241-W273 HydrophobicContact CB-CD2 3.84Å; L241-W273 HydrophobicContact CB-CE3 3.84Å; L241-W273 HydrophobicContact CB-CH2 3.72Å; L241-W273 HydrophobicContact CB-CZ2 3.7Å; L241-W273 HydrophobicContact CB-CZ3 3.79Å; L241-W273 HydrophobicContact CD1-CB 4.43Å; L241-W273 HydrophobicContact CD1-CD2 3.9Å; L241-W273 HydrophobicContact CD1-CG 3.79Å; L241-W273 HydrophobicContact CD2-CD2 4.34Å; L241-W273 HydrophobicContact CD2-CE3 4.24Å; L241-W273 HydrophobicContact CG-CD2 4.24Å; L241-W273 HydrophobicContact CG-CE3 4.43Å; L241-W273 WeakPolarHBondContact O-CH2 3.46Å; L241-W273 WeakPolarHBondContact O-CZ3 3.22Å; L241-F274 HydrophobicContact CD2-CE2 3.98Å
242E98.3Very high97.8Very high84 Ų8480.8 Ų80.839%0.39338%0.379SS..Hα-helixtrans-70.7-34176.5-72.2-178.4149.900112.7I238 R239 F245 F246 W273I238-E242 HydrophobicContact CG2-CG 4.27Å; I238-E242 WeakPolarHBondContact O-CB 3.48Å; I238-E242 WeakPolarHBondContact O-CG 3.42Å; I238-E242 PolarHBondContact O-N 2.94Å; R239-E242 PolarHBondContact O-N 2.98Å; E242-F245 PolarHBondContact O-N 2.94Å; E242-F246 PolarHBondContact O-N 2.8Å; E242-F246 VanDerWaalsContact O-N 3.08Å; E242-W273 HydrophobicContact CB-CH2 4.46Å; E242-W273 HydrophobicContact CG-CH2 3.67Å; E242-W273 HydrophobicContact CG-CZ2 3.62Å
243R98.3Very high98Very high108 Ų10883.2 Ų83.241%0.40838%0.378SS..Hα-helixtrans-65.1-49.6173.6-163.1-156.6-58.3103.70.9111.9R239 E240 F245 F246 F247R239-R243 PolarHBondContact O-N 3.41Å; E240-R243 PolarHBondContact O-N 3.11Å; E240-R243 IonicContact OE1-CZ 3.8Å; E240-R243 IonicContact OE1-NH1 3.9Å; E240-R243 IonicContact OE1-NH2 2.91Å; E240-R243 PolarHBondContact OE1-NH2 3.33Å; E240-R243 IonicContact OE2-CZ 3.2Å; E240-R243 IonicContact OE2-NH1 2.68Å; E240-R243 PolarHBondContact OE2-NH1 3.33Å; E240-R243 IonicContact OE2-NH2 2.81Å; E240-R243 PolarHBondContact OE2-NH2 3.06Å; R243-F245 VanDerWaalsContact C-N 3.27Å; R243-F245 PolarHBondContact O-N 3.32Å; R243-F246 WeakPolarHBondContact O-CB 3.47Å; R243-F246 PolarHBondContact O-N 2.93Å; R243-F246 VanDerWaalsContact O-N 3.17Å; R243-F247 HydrophobicContact CG-CD2 4.38Å; R243-F247 HydrophobicContact CG-CE2 3.82Å; R243-F247 VanDerWaalsContact O-CD2 3.3Å; R243-F247 WeakPolarHBondContact O-CD2 3.45Å; R243-F247 PolarHBondContact O-N 3.18Å
244E98.2Very high98Very high37 Ų3786.9 Ų86.917%0.17340%0.398CS..Hα-helixtrans-67.9-28.2177.5-75.6-82-17200112E240 F246 F247 S248 K255 L259 F274E240-E244 PolarHBondContact O-N 3.42Å; E240-E244 VanDerWaalsContact O-N 3.15Å; E244-F246 VanDerWaalsContact C-N 3.35Å; E244-F247 PolarHBondContact O-N 3.47Å; E244-S248 PolarHBondContact O-N 3.44Å; E244-K255 IonicContact OE1-NZ 2.66Å; E244-K255 PolarHBondContact OE1-NZ 2.9Å; E244-L259 HydrophobicContact CB-CD1 3.89Å; E244-L259 HydrophobicContact CG-CD1 3.95Å; E244-L259 HydrophobicContact CG-CD2 4.12Å; E244-L259 HydrophobicContact CG-CG 4.35Å; E244-F274 HydrophobicContact CB-CZ 4.37Å
245F98.1Very high98Very high6 Ų687.2 Ų87.23%0.02639%0.391CS..Hα-helixtrans-65.9-34.4170.8-171.7-90.9000113.4L241 E242 R243 S248 V249 W273 F274 R277 R278 E281L241-F245 VanDerWaalsContact O-CB 3.26Å; L241-F245 WeakPolarHBondContact O-CB 3.5Å; L241-F245 PolarHBondContact O-N 3.21Å; E242-F245 PolarHBondContact O-N 2.94Å; R243-F245 VanDerWaalsContact C-N 3.27Å; R243-F245 PolarHBondContact O-N 3.32Å; F245-S248 CarbonylContact O-C 3.19Å; F245-V249 HydrophobicContact CE1-CG2 4.21Å; F245-V249 HydrophobicContact CE2-CB 4.34Å; F245-V249 HydrophobicContact CE2-CG1 4.07Å; F245-V249 HydrophobicContact CZ-CB 4.21Å; F245-V249 HydrophobicContact CZ-CG1 3.85Å; F245-V249 HydrophobicContact CZ-CG2 4.07Å; F245-V249 PolarHBondContact O-N 3.33Å; F245-W273 HydrophobicContact CB-CH2 4.18Å; F245-W273 HydrophobicContact CB-CZ3 4Å; F245-W273 HydrophobicContact CD2-CZ3 4.17Å; F245-W273 HydrophobicContact CG-CZ3 4.32Å; F245-F274 HydrophobicContact CB-CE1 4.11Å; F245-F274 HydrophobicContact CB-CZ 4.34Å; F245-F274 AromaticContact CD2-CD1 3.75Å; F245-F274 HydrophobicContact CD2-CD1 3.75Å; F245-F274 AromaticContact CD2-CE1 3.72Å; F245-F274 HydrophobicContact CD2-CE1 3.72Å; F245-F274 HydrophobicContact CE2-CD1 4.37Å; F245-F274 HydrophobicContact CG-CE1 4.41Å; F245-R277 HydrophobicContact CB-CG 4.49Å; F245-R277 HydrophobicContact CD1-CG 3.82Å; F245-R277 HydrophobicContact CD2-CB 4.14Å; F245-R277 HydrophobicContact CD2-CG 3.5Å; F245-R277 HydrophobicContact CE1-CG 3.89Å; F245-R277 VanDerWaalsContact CE1-CZ 3.42Å; F245-R277 HydrophobicContact CE2-CB 4.08Å; F245-R277 HydrophobicContact CE2-CG 3.57Å; F245-R277 HydrophobicContact CG-CG 3.64Å; F245-R277 HydrophobicContact CZ-CG 3.76Å; F245-R278 HydrophobicContact CE2-CG 3.71Å; F245-R278 HydrophobicContact CZ-CG 3.95Å; F245-E281 WeakPolarHBondContact CE1-OE1 3.34Å; F245-E281 VanDerWaalsContact CE1-OE2 3.28Å; F245-E281 WeakPolarHBondContact CE1-OE2 3.44Å; F245-E281 VanDerWaalsContact CZ-OE2 3.27Å; F245-E281 WeakPolarHBondContact CZ-OE2 3.42Å
246F97.3Very high98Very high179 Ų17980.5 Ų80.579%0.78536%0.361SS*.Hα-helixtrans-67.5-39.1174-179-92.6000111.8E242 R243 E244E242-F246 PolarHBondContact O-N 2.8Å; E242-F246 VanDerWaalsContact O-N 3.08Å; R243-F246 WeakPolarHBondContact O-CB 3.47Å; R243-F246 PolarHBondContact O-N 2.93Å; R243-F246 VanDerWaalsContact O-N 3.17Å; E244-F246 VanDerWaalsContact C-N 3.35Å
247F97.1Very high98Very high145 Ų14578.4 Ų78.464%0.63636%0.356SS*.Hα-helixtrans-71.3-37.7174-67-56.8000113.2R243 E244R243-F247 HydrophobicContact CG-CD2 4.38Å; R243-F247 HydrophobicContact CG-CE2 3.82Å; R243-F247 VanDerWaalsContact O-CD2 3.3Å; R243-F247 WeakPolarHBondContact O-CD2 3.45Å; R243-F247 PolarHBondContact O-N 3.18Å; E244-F247 PolarHBondContact O-N 3.47Å
248S96.6Very high98Very high53 Ų5381.4 Ų81.437%0.37137%0.37SS..  trans-150.5121.7169.9-1790000112.6E244 F245 Y250 F274E244-S248 PolarHBondContact O-N 3.44Å; F245-S248 CarbonylContact O-C 3.19Å; S248-Y250 PolarHBondContact O-N 3.39Å; S248-Y250 PolarHBondContact OG-N 2.82Å; S248-Y250 VanDerWaalsContact OG-N 3.11Å; S248-Y250 PolarHBondContact OG-O 3.24Å; S248-F274 WeakPolarHBondContact O-CE1 3.43Å
249V97.4Very high98Very high56 Ų5678.7 Ų78.734%0.33936%0.356SS..SBendtrans-56.8-20.2169.9175.80000112.3F245 R278F245-V249 HydrophobicContact CE1-CG2 4.21Å; F245-V249 HydrophobicContact CE2-CB 4.34Å; F245-V249 HydrophobicContact CE2-CG1 4.07Å; F245-V249 HydrophobicContact CZ-CB 4.21Å; F245-V249 HydrophobicContact CZ-CG1 3.85Å; F245-V249 HydrophobicContact CZ-CG2 4.07Å; F245-V249 PolarHBondContact O-N 3.33Å; V249-R278 HydrophobicContact CG1-CG 3.76Å; V249-R278 WeakPolarHBondContact O-CD 3.21Å
250Y97.9Very high98Very high153 Ų15373.3 Ų73.360%0.634%0.34SS*.SBendtrans-126.3105.3-179.2-69.9-95000112S248 N252 R278S248-Y250 PolarHBondContact O-N 3.39Å; S248-Y250 PolarHBondContact OG-N 2.82Å; S248-Y250 VanDerWaalsContact OG-N 3.11Å; S248-Y250 PolarHBondContact OG-O 3.24Å; Y250-N252 PolarHBondContact O-N 2.86Å; Y250-R278 PolarHBondContact OH-NH1 2.73Å
251I97.8Very high98Very high21 Ų2181.5 Ų81.511%0.10837%0.37CS..  trans-77.7121.4179.9-163.8168.4000113K255 R256 L259 V270 F274I251-K255 HydrophobicContact CD1-CB 4.08Å; I251-K255 HydrophobicContact CG1-CB 3.73Å; I251-R256 HydrophobicContact CD1-CB 4.14Å; I251-R256 HydrophobicContact CD1-CG 4.42Å; I251-R256 HydrophobicContact CG1-CB 4.2Å; I251-R256 HydrophobicContact CG2-CB 4.41Å; I251-R256 HydrophobicContact CG2-CG 4.28Å; I251-R256 PolarHBondContact O-NH2 2.86Å; I251-L259 HydrophobicContact CD1-CD1 3.57Å; I251-L259 HydrophobicContact CD1-CG 4.35Å; I251-V270 HydrophobicContact CD1-CG1 4.09Å; I251-F274 HydrophobicContact CB-CD1 3.89Å; I251-F274 HydrophobicContact CB-CD2 4.22Å; I251-F274 HydrophobicContact CB-CE1 3.75Å; I251-F274 HydrophobicContact CB-CE2 4.09Å; I251-F274 HydrophobicContact CB-CG 4.14Å; I251-F274 HydrophobicContact CB-CZ 3.86Å; I251-F274 HydrophobicContact CD1-CD2 4.38Å; I251-F274 HydrophobicContact CD1-CE2 3.72Å; I251-F274 HydrophobicContact CD1-CZ 3.86Å; I251-F274 HydrophobicContact CG1-CZ 4.36Å; I251-F274 HydrophobicContact CG2-CB 4.15Å; I251-F274 HydrophobicContact CG2-CD1 3.85Å; I251-F274 HydrophobicContact CG2-CD2 3.7Å; I251-F274 HydrophobicContact CG2-CE1 4.17Å; I251-F274 HydrophobicContact CG2-CE2 4.05Å; I251-F274 HydrophobicContact CG2-CG 3.61Å; I251-F274 HydrophobicContact CG2-CZ 4.28Å
252N98Very high98Very high84 Ų8485.3 Ų85.345%0.44939%0.389SS..  trans-65.9177.8175.779.215.6000111.8Y250 E254 K255 R256Y250-N252 PolarHBondContact O-N 2.86Å; N252-E254 PolarHBondContact OD1-N 3.14Å; N252-E254 VanDerWaalsContact OD1-N 3.15Å; N252-K255 WeakPolarHBondContact OD1-CB 3.36Å; N252-K255 PolarHBondContact OD1-N 2.88Å; N252-R256 WeakPolarHBondContact O-CB 3.42Å; N252-R256 PolarHBondContact O-N 3.45Å; N252-R256 PolarHBondContact O-NH2 3.26Å
253K98Very high98Very high161 Ų16181.5 Ų81.570%0.737%0.371SS*.Hα-helixtrans-65.3-48.8-178.6-174.9-177.1177.1-172.80111.9R256 L257K253-R256 WeakPolarHBondContact O-CB 3.32Å; K253-R256 PolarHBondContact O-N 3.04Å; K253-L257 HydrophobicContact CG-CD1 4.19Å; K253-L257 WeakPolarHBondContact O-CD1 3.48Å; K253-L257 PolarHBondContact O-N 3.13Å; K253-L257 VanDerWaalsContact O-N 3.15Å
254E98.1Very high98Very high147 Ų14783.4 Ų83.469%0.68739%0.389SS*.Hα-helixtrans-63.3-53.5-174.2-179.5-178.4-154.700112.7N252 R256 L257 Q258N252-E254 PolarHBondContact OD1-N 3.14Å; N252-E254 VanDerWaalsContact OD1-N 3.15Å; E254-R256 PolarHBondContact O-N 2.94Å; E254-L257 WeakPolarHBondContact O-CA 3.2Å; E254-L257 WeakPolarHBondContact O-CB 2.81Å; E254-L257 PolarHBondContact O-N 3.44Å; E254-Q258 PolarHBondContact O-N 3.48Å
255K98.1Very high97.9Very high71 Ų7182.2 Ų82.231%0.30938%0.384SS..Hα-helixtrans-58.9-32.4176.3-74.1-68.2-172.8171.70112.3E244 I251 N252 Q258 L259E244-K255 IonicContact OE1-NZ 2.66Å; E244-K255 PolarHBondContact OE1-NZ 2.9Å; I251-K255 HydrophobicContact CD1-CB 4.08Å; I251-K255 HydrophobicContact CG1-CB 3.73Å; N252-K255 WeakPolarHBondContact OD1-CB 3.36Å; N252-K255 PolarHBondContact OD1-N 2.88Å; K255-Q258 VanDerWaalsContact CD-OE1 3.32Å; K255-Q258 PolarHBondContact O-N 3.34Å; K255-L259 PolarHBondContact O-N 3.12Å
256R98.5Very high97.9Very high41 Ų4185.6 Ų85.616%0.15541%0.406CS..Hα-helixtrans-67-39.8174.4-155.6178.6-39.5113.410.3112.3I251 N252 K253 E254 S260 D267 V270I251-R256 HydrophobicContact CD1-CB 4.14Å; I251-R256 HydrophobicContact CD1-CG 4.42Å; I251-R256 HydrophobicContact CG1-CB 4.2Å; I251-R256 HydrophobicContact CG2-CB 4.41Å; I251-R256 HydrophobicContact CG2-CG 4.28Å; I251-R256 PolarHBondContact O-NH2 2.86Å; N252-R256 WeakPolarHBondContact O-CB 3.42Å; N252-R256 PolarHBondContact O-N 3.45Å; N252-R256 PolarHBondContact O-NH2 3.26Å; K253-R256 WeakPolarHBondContact O-CB 3.32Å; K253-R256 PolarHBondContact O-N 3.04Å; E254-R256 PolarHBondContact O-N 2.94Å; R256-S260 WeakPolarHBondContact O-CB 3.09Å; R256-S260 PolarHBondContact O-N 2.98Å; R256-D267 WeakPolarHBondContact CD-O 3.48Å; R256-D267 VanDerWaalsContact CD-OD2 3.28Å; R256-D267 WeakPolarHBondContact CD-OD2 3.19Å; R256-D267 WeakPolarHBondContact CG-OD2 3.48Å; R256-D267 IonicContact NH1-OD1 2.76Å; R256-D267 PolarHBondContact NH1-OD1 3.3Å; R256-D267 IonicContact NH1-OD2 2.74Å; R256-D267 PolarHBondContact NH1-OD2 3.05Å; R256-V270 HydrophobicContact CG-CB 3.76Å; R256-V270 HydrophobicContact CG-CG1 3.64Å
257L98.5Very high98Very high59 Ų5979.6 Ų79.631%0.30938%0.381SS..Hα-helixtrans-68.1-37.2171.6-8877.3000112K253 E254 S260 R261K253-L257 HydrophobicContact CG-CD1 4.19Å; K253-L257 WeakPolarHBondContact O-CD1 3.48Å; K253-L257 PolarHBondContact O-N 3.13Å; K253-L257 VanDerWaalsContact O-N 3.15Å; E254-L257 WeakPolarHBondContact O-CA 3.2Å; E254-L257 WeakPolarHBondContact O-CB 2.81Å; E254-L257 PolarHBondContact O-N 3.44Å; L257-S260 PolarHBondContact O-N 3.45Å; L257-R261 WeakPolarHBondContact O-CG 3.35Å; L257-R261 PolarHBondContact O-N 2.91Å; L257-R261 VanDerWaalsContact O-N 3.13Å
258Q98.4Very high98Very high96 Ų9681.3 Ų81.345%0.44938%0.384SS..Hα-helixtrans-60.2-53.2175-169.717816.500110.9E254 K255 S260 R261 M262E254-Q258 PolarHBondContact O-N 3.48Å; K255-Q258 VanDerWaalsContact CD-OE1 3.32Å; K255-Q258 PolarHBondContact O-N 3.34Å; Q258-S260 PolarHBondContact O-N 2.95Å; Q258-R261 PolarHBondContact O-N 3.46Å; Q258-M262 WeakPolarHBondContact O-CB 3.41Å; Q258-M262 PolarHBondContact O-N 2.91Å
259L98.2Very high98.1Very high2 Ų282 Ų821%0.0138%0.381CS..Hα-helixtrans-65.4-37.1176.7-72.9-175.1000113.2L241 E244 I251 K255 R261 M262 L263 V270 F274L241-L259 HydrophobicContact CD2-CD1 4.01Å; E244-L259 HydrophobicContact CB-CD1 3.89Å; E244-L259 HydrophobicContact CG-CD1 3.95Å; E244-L259 HydrophobicContact CG-CD2 4.12Å; E244-L259 HydrophobicContact CG-CG 4.35Å; I251-L259 HydrophobicContact CD1-CD1 3.57Å; I251-L259 HydrophobicContact CD1-CG 4.35Å; K255-L259 PolarHBondContact O-N 3.12Å; L259-R261 VanDerWaalsContact C-N 3.31Å; L259-R261 PolarHBondContact O-N 3.26Å; L259-M262 HydrophobicContact CD2-CE 3.75Å; L259-M262 PolarHBondContact O-N 3.21Å; L259-L263 HydrophobicContact CB-CD1 4.48Å; L259-L263 HydrophobicContact CD2-CD1 4.36Å; L259-L263 VanDerWaalsContact O-CB 3.23Å; L259-L263 WeakPolarHBondContact O-CB 3.2Å; L259-L263 WeakPolarHBondContact O-CG 3.33Å; L259-L263 PolarHBondContact O-N 2.79Å; L259-V270 HydrophobicContact CB-CG1 4.37Å; L259-V270 HydrophobicContact CD1-CG1 4.41Å; L259-F274 HydrophobicContact CD1-CE2 4.29Å
260S98.5Very high98.1Very high24 Ų2479.3 Ų79.317%0.16837%0.365CS..Hα-helixtrans-55-48.4176.1173.20000111.1R256 L257 Q258 N264 L265 D267R256-S260 WeakPolarHBondContact O-CB 3.09Å; R256-S260 PolarHBondContact O-N 2.98Å; L257-S260 PolarHBondContact O-N 3.45Å; Q258-S260 PolarHBondContact O-N 2.95Å; S260-N264 PolarHBondContact O-N 3.11Å; S260-L265 CarbonylContact C-O 3.32Å; S260-L265 WeakPolarHBondContact CA-O 3.47Å; S260-L265 VanDerWaalsContact CB-O 3.25Å; S260-L265 WeakPolarHBondContact CB-O 3.27Å; S260-L265 PolarHBondContact O-N 2.98Å; S260-L265 PolarHBondContact OG-O 2.81Å; S260-D267 PolarHBondContact OG-N 3.45Å
261R98.4Very high98.1Very high184 Ų18477 Ų7769%0.69436%0.358SS*.Hα-helixtrans-66.8-54.4176-66.8166.5179.8150.3-3.9111.7L257 Q258 L259 L263 N264L257-R261 WeakPolarHBondContact O-CG 3.35Å; L257-R261 PolarHBondContact O-N 2.91Å; L257-R261 VanDerWaalsContact O-N 3.13Å; Q258-R261 PolarHBondContact O-N 3.46Å; L259-R261 VanDerWaalsContact C-N 3.31Å; L259-R261 PolarHBondContact O-N 3.26Å; R261-L263 PolarHBondContact O-N 3.29Å; R261-L263 VanDerWaalsContact O-N 3.17Å; R261-N264 PolarHBondContact O-N 3.04Å
262M98.1Very high98.1Very high81 Ų8178.3 Ų78.340%0.39937%0.365SS..Hα-helixtrans-60.4-29.9-174.5-167.5178.784.800113.6E240 Q258 L259E240-M262 HydrophobicContact CB-CE 3.97Å; E240-M262 HydrophobicContact CG-CE 3.97Å; Q258-M262 WeakPolarHBondContact O-CB 3.41Å; Q258-M262 PolarHBondContact O-N 2.91Å; L259-M262 HydrophobicContact CD2-CE 3.75Å; L259-M262 PolarHBondContact O-N 3.21Å
263L97.9Very high98.2Very high4 Ų475.5 Ų75.52%0.02135%0.348CS..THydrogen-bonded Turntrans-102.5-1.7-176.6-59.6-174.4000114.5Y236 Q237 E240 L241 L259 R261 L265Y236-L263 HydrophobicContact CD1-CD2 4.1Å; Y236-L263 HydrophobicContact CE1-CD2 3.62Å; Q237-L263 HydrophobicContact CG-CB 4.23Å; Q237-L263 HydrophobicContact CG-CD2 4.43Å; Q237-L263 PolarHBondContact NE2-O 2.81Å; E240-L263 HydrophobicContact CB-CD1 4.17Å; E240-L263 HydrophobicContact CB-CD2 3.78Å; E240-L263 HydrophobicContact CG-CD2 3.73Å; L241-L263 HydrophobicContact CD1-CD1 4.16Å; L241-L263 HydrophobicContact CD2-CD1 3.98Å; L241-L263 HydrophobicContact CG-CD1 3.66Å; L259-L263 HydrophobicContact CB-CD1 4.48Å; L259-L263 HydrophobicContact CD2-CD1 4.36Å; L259-L263 VanDerWaalsContact O-CB 3.23Å; L259-L263 WeakPolarHBondContact O-CB 3.2Å; L259-L263 WeakPolarHBondContact O-CG 3.33Å; L259-L263 PolarHBondContact O-N 2.79Å; R261-L263 PolarHBondContact O-N 3.29Å; R261-L263 VanDerWaalsContact O-N 3.17Å; L263-L265 VanDerWaalsContact C-N 3.28Å; L263-L265 HydrophobicContact CB-CB 4.42Å; L263-L265 HydrophobicContact CB-CD1 4Å; L263-L265 HydrophobicContact CB-CG 3.95Å; L263-L265 HydrophobicContact CD1-CD1 4.26Å; L263-L265 PolarHBondContact O-N 2.81Å
264N98.1Very high98.2Very high148 Ų14868.2 Ų68.279%0.79132%0.316SS*.THydrogen-bonded Turntrans51.846.9-169.7-64.2-72.3000112.2S260 R261S260-N264 PolarHBondContact O-N 3.11Å; R261-N264 PolarHBondContact O-N 3.04Å
265L97.5Very high98.2Very high11 Ų1165.3 Ų65.36%0.05830%0.302CS..  trans-121.2146.5177.5-66.8-178.8000109.8Y233 L241 S260 L263 Q269 V270Y233-L265 HydrophobicContact CD1-CD1 4.24Å; Y233-L265 HydrophobicContact CD1-CD2 3.84Å; Y233-L265 HydrophobicContact CE1-CD1 4.15Å; Y233-L265 HydrophobicContact CE1-CD2 3.64Å; L241-L265 HydrophobicContact CD1-CD1 4.14Å; S260-L265 CarbonylContact C-O 3.32Å; S260-L265 WeakPolarHBondContact CA-O 3.47Å; S260-L265 VanDerWaalsContact CB-O 3.25Å; S260-L265 WeakPolarHBondContact CB-O 3.27Å; S260-L265 PolarHBondContact O-N 2.98Å; S260-L265 PolarHBondContact OG-O 2.81Å; L263-L265 VanDerWaalsContact C-N 3.28Å; L263-L265 HydrophobicContact CB-CB 4.42Å; L263-L265 HydrophobicContact CB-CD1 4Å; L263-L265 HydrophobicContact CB-CG 3.95Å; L263-L265 HydrophobicContact CD1-CD1 4.26Å; L263-L265 PolarHBondContact O-N 2.81Å; L265-Q269 HydrophobicContact CB-CB 4.31Å; L265-V270 HydrophobicContact CB-CG2 4.12Å
266T98.3Very high98.2Very high78 Ų7866.7 Ų66.748%0.47931%0.313SS..  trans-68150.3172.1600000111.7R268 Q269 V270T266-R268 PolarHBondContact O-N 2.87Å; T266-R268 VanDerWaalsContact O-N 3.1Å; T266-Q269 WeakPolarHBondContact O-CA 3.47Å; T266-Q269 WeakPolarHBondContact O-CB 3.49Å; T266-Q269 PolarHBondContact O-N 3.45Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.47Å; T266-Q269 PolarHBondContact OG1-N 2.97Å; T266-Q269 PolarHBondContact OG1-OE1 3.15Å; T266-V270 PolarHBondContact O-N 2.9Å; T266-V270 VanDerWaalsContact O-N 3.11Å
267D98.1Very high98.2Very high52 Ų5267.2 Ų67.228%0.27832%0.315SS..Hα-helixtrans-46.9-42.1171.5177.2-78.1000111.3R256 S260 Q269 V270 K271R256-D267 WeakPolarHBondContact CD-O 3.48Å; R256-D267 VanDerWaalsContact CD-OD2 3.28Å; R256-D267 WeakPolarHBondContact CD-OD2 3.19Å; R256-D267 WeakPolarHBondContact CG-OD2 3.48Å; R256-D267 IonicContact NH1-OD1 2.76Å; R256-D267 PolarHBondContact NH1-OD1 3.3Å; R256-D267 IonicContact NH1-OD2 2.74Å; R256-D267 PolarHBondContact NH1-OD2 3.05Å; S260-D267 PolarHBondContact OG-N 3.45Å; D267-Q269 PolarHBondContact O-N 3.42Å; D267-V270 PolarHBondContact O-N 3.4Å; D267-K271 WeakPolarHBondContact O-CB 3.43Å; D267-K271 PolarHBondContact O-N 3.46Å
268R97.8Very high98.2Very high182 Ų18268 Ų6869%0.68731%0.314SS*.Hα-helixtrans-62.9-38.2177.2-170.7175.1-177.4-82.5-1.3113.1T266 I272T266-R268 PolarHBondContact O-N 2.87Å; T266-R268 VanDerWaalsContact O-N 3.1Å; R268-I272 HydrophobicContact CG-CD1 3.94Å; R268-I272 WeakPolarHBondContact O-CB 3.37Å; R268-I272 WeakPolarHBondContact O-CD1 3.43Å; R268-I272 VanDerWaalsContact O-CG1 3.22Å; R268-I272 WeakPolarHBondContact O-CG1 3.28Å; R268-I272 PolarHBondContact O-N 3.25Å
269Q97.9Very high98.1Very high66 Ų6669 Ų6931%0.30832%0.32SS..Hα-helixtrans-66.6-43.4174.1-80.4162.9-70.300111.6Y233 L265 T266 D267 I272 W273Y233-Q269 WeakPolarHBondContact OH-CB 3.38Å; L265-Q269 HydrophobicContact CB-CB 4.31Å; T266-Q269 WeakPolarHBondContact O-CA 3.47Å; T266-Q269 WeakPolarHBondContact O-CB 3.49Å; T266-Q269 PolarHBondContact O-N 3.45Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.47Å; T266-Q269 PolarHBondContact OG1-N 2.97Å; T266-Q269 PolarHBondContact OG1-OE1 3.15Å; D267-Q269 PolarHBondContact O-N 3.42Å; Q269-I272 PolarHBondContact O-N 3.49Å; Q269-W273 WeakPolarHBondContact O-CB 3.35Å; Q269-W273 PolarHBondContact O-N 3.05Å
270V98.4Very high98.1Very high0 Ų075 Ų750%035%0.346CS..Hα-helixtrans-63.3-45.4175.6-1750000110.4L241 I251 R256 L259 L265 T266 D267 I272 W273 F274L241-V270 HydrophobicContact CD2-CG1 3.88Å; I251-V270 HydrophobicContact CD1-CG1 4.09Å; R256-V270 HydrophobicContact CG-CB 3.76Å; R256-V270 HydrophobicContact CG-CG1 3.64Å; L259-V270 HydrophobicContact CB-CG1 4.37Å; L259-V270 HydrophobicContact CD1-CG1 4.41Å; L265-V270 HydrophobicContact CB-CG2 4.12Å; T266-V270 PolarHBondContact O-N 2.9Å; T266-V270 VanDerWaalsContact O-N 3.11Å; D267-V270 PolarHBondContact O-N 3.4Å; V270-I272 PolarHBondContact O-N 3.39Å; V270-W273 PolarHBondContact O-N 3.49Å; V270-W273 VanDerWaalsContact O-N 3.17Å; V270-F274 HydrophobicContact CG1-CD2 3.96Å; V270-F274 HydrophobicContact CG1-CE2 4.04Å; V270-F274 WeakPolarHBondContact O-CD2 3.28Å; V270-F274 PolarHBondContact O-N 3.18Å
271K98.1Very high98Very high104 Ų10477.2 Ų77.245%0.45235%0.354SS..Hα-helixtrans-57.1-45.2176-172.3176.1179.11780112.1D267 Q275D267-K271 WeakPolarHBondContact O-CB 3.43Å; D267-K271 PolarHBondContact O-N 3.46Å; K271-Q275 WeakPolarHBondContact O-CG 3.48Å; K271-Q275 PolarHBondContact O-N 2.91Å; K271-Q275 VanDerWaalsContact O-N 3.12Å
272I98.3Very high97.8Very high50 Ų5075.3 Ų75.326%0.25635%0.351SS..Hα-helixtrans-68.4-38.5177.3-72.6168.1000111.2R268 Q269 V270 Q275 N276R268-I272 HydrophobicContact CG-CD1 3.94Å; R268-I272 WeakPolarHBondContact O-CB 3.37Å; R268-I272 WeakPolarHBondContact O-CD1 3.43Å; R268-I272 VanDerWaalsContact O-CG1 3.22Å; R268-I272 WeakPolarHBondContact O-CG1 3.28Å; R268-I272 PolarHBondContact O-N 3.25Å; Q269-I272 PolarHBondContact O-N 3.49Å; V270-I272 PolarHBondContact O-N 3.39Å; I272-Q275 PolarHBondContact O-N 3.08Å; I272-N276 WeakPolarHBondContact O-CB 3.34Å; I272-N276 VanDerWaalsContact O-CG 3.23Å; I272-N276 PolarHBondContact O-N 3.28Å; I272-N276 PolarHBondContact O-ND2 3.26Å
273W98.3Very high97.7Very high25 Ų2577.3 Ų77.310%0.09536%0.357CS..Hα-helixtrans-61.7-46.3176.1-171.8102.3000111.1Y233 L241 E242 F245 Q269 V270 Q275 N276 R277Y233-W273 AromaticContact CD2-CD1 3.85Å; Y233-W273 AromaticContact CE2-CD1 3.75Å; L241-W273 HydrophobicContact CB-CD2 3.84Å; L241-W273 HydrophobicContact CB-CE3 3.84Å; L241-W273 HydrophobicContact CB-CH2 3.72Å; L241-W273 HydrophobicContact CB-CZ2 3.7Å; L241-W273 HydrophobicContact CB-CZ3 3.79Å; L241-W273 HydrophobicContact CD1-CB 4.43Å; L241-W273 HydrophobicContact CD1-CD2 3.9Å; L241-W273 HydrophobicContact CD1-CG 3.79Å; L241-W273 HydrophobicContact CD2-CD2 4.34Å; L241-W273 HydrophobicContact CD2-CE3 4.24Å; L241-W273 HydrophobicContact CG-CD2 4.24Å; L241-W273 HydrophobicContact CG-CE3 4.43Å; L241-W273 WeakPolarHBondContact O-CH2 3.46Å; L241-W273 WeakPolarHBondContact O-CZ3 3.22Å; E242-W273 HydrophobicContact CB-CH2 4.46Å; E242-W273 HydrophobicContact CG-CH2 3.67Å; E242-W273 HydrophobicContact CG-CZ2 3.62Å; F245-W273 HydrophobicContact CB-CH2 4.18Å; F245-W273 HydrophobicContact CB-CZ3 4Å; F245-W273 HydrophobicContact CD2-CZ3 4.17Å; F245-W273 HydrophobicContact CG-CZ3 4.32Å; Q269-W273 WeakPolarHBondContact O-CB 3.35Å; Q269-W273 PolarHBondContact O-N 3.05Å; V270-W273 PolarHBondContact O-N 3.49Å; V270-W273 VanDerWaalsContact O-N 3.17Å; W273-Q275 VanDerWaalsContact C-N 3.3Å; W273-Q275 PolarHBondContact O-N 3.48Å; W273-N276 PolarHBondContact O-N 2.79Å; W273-N276 VanDerWaalsContact O-N 3.17Å; W273-R277 HydrophobicContact CD2-CB 4.38Å; W273-R277 HydrophobicContact CE3-CB 3.92Å; W273-R277 HydrophobicContact CE3-CG 4.45Å; W273-R277 HydrophobicContact CH2-CB 3.81Å; W273-R277 HydrophobicContact CH2-CG 3.51Å; W273-R277 HydrophobicContact CZ2-CB 4.28Å; W273-R277 HydrophobicContact CZ2-CG 4.22Å; W273-R277 HydrophobicContact CZ3-CB 3.62Å; W273-R277 HydrophobicContact CZ3-CG 3.66Å; W273-R277 WeakPolarHBondContact O-CB 3.47Å; W273-R277 PolarHBondContact O-N 3.31Å
274F98.6Very high97.4Very high7 Ų782.3 Ų82.33%0.03138%0.383CS..Hα-helixtrans-65.8-27.3176.2-89.2-98.3000113.7L241 E244 F245 S248 I251 L259 V270 R278L241-F274 HydrophobicContact CD2-CE2 3.98Å; E244-F274 HydrophobicContact CB-CZ 4.37Å; F245-F274 HydrophobicContact CB-CE1 4.11Å; F245-F274 HydrophobicContact CB-CZ 4.34Å; F245-F274 AromaticContact CD2-CD1 3.75Å; F245-F274 HydrophobicContact CD2-CD1 3.75Å; F245-F274 AromaticContact CD2-CE1 3.72Å; F245-F274 HydrophobicContact CD2-CE1 3.72Å; F245-F274 HydrophobicContact CE2-CD1 4.37Å; F245-F274 HydrophobicContact CG-CE1 4.41Å; S248-F274 WeakPolarHBondContact O-CE1 3.43Å; I251-F274 HydrophobicContact CB-CD1 3.89Å; I251-F274 HydrophobicContact CB-CD2 4.22Å; I251-F274 HydrophobicContact CB-CE1 3.75Å; I251-F274 HydrophobicContact CB-CE2 4.09Å; I251-F274 HydrophobicContact CB-CG 4.14Å; I251-F274 HydrophobicContact CB-CZ 3.86Å; I251-F274 HydrophobicContact CD1-CD2 4.38Å; I251-F274 HydrophobicContact CD1-CE2 3.72Å; I251-F274 HydrophobicContact CD1-CZ 3.86Å; I251-F274 HydrophobicContact CG1-CZ 4.36Å; I251-F274 HydrophobicContact CG2-CB 4.15Å; I251-F274 HydrophobicContact CG2-CD1 3.85Å; I251-F274 HydrophobicContact CG2-CD2 3.7Å; I251-F274 HydrophobicContact CG2-CE1 4.17Å; I251-F274 HydrophobicContact CG2-CE2 4.05Å; I251-F274 HydrophobicContact CG2-CG 3.61Å; I251-F274 HydrophobicContact CG2-CZ 4.28Å; L259-F274 HydrophobicContact CD1-CE2 4.29Å; V270-F274 HydrophobicContact CG1-CD2 3.96Å; V270-F274 HydrophobicContact CG1-CE2 4.04Å; V270-F274 WeakPolarHBondContact O-CD2 3.28Å; V270-F274 PolarHBondContact O-N 3.18Å; F274-R278 WeakPolarHBondContact O-CG 3.21Å; F274-R278 PolarHBondContact O-N 2.86Å; F274-R278 PolarHBondContact O-NE 2.97Å
275Q98.4Very high97Very high86 Ų8680.5 Ų80.540%0.40237%0.373SS..Hα-helixtrans-69.7-49.1169.1-73.1171-21.700111.1K271 I272 W273 R277 R278 M279K271-Q275 WeakPolarHBondContact O-CG 3.48Å; K271-Q275 PolarHBondContact O-N 2.91Å; K271-Q275 VanDerWaalsContact O-N 3.12Å; I272-Q275 PolarHBondContact O-N 3.08Å; W273-Q275 VanDerWaalsContact C-N 3.3Å; W273-Q275 PolarHBondContact O-N 3.48Å; Q275-R277 PolarHBondContact O-N 3.43Å; Q275-R278 PolarHBondContact O-N 3.21Å; Q275-M279 WeakPolarHBondContact O-CG 3.37Å; Q275-M279 PolarHBondContact O-N 3.26Å; Q275-M279 VanDerWaalsContact O-N 3.13Å
276N98.1Very high96.6Very high101 Ų10187 Ų8754%0.5440%0.398SS..Hα-helixtrans-63.6-39.5179.5-67.8-16000112.5I272 W273 M279 K280I272-N276 WeakPolarHBondContact O-CB 3.34Å; I272-N276 VanDerWaalsContact O-CG 3.23Å; I272-N276 PolarHBondContact O-N 3.28Å; I272-N276 PolarHBondContact O-ND2 3.26Å; W273-N276 PolarHBondContact O-N 2.79Å; W273-N276 VanDerWaalsContact O-N 3.17Å; N276-M279 PolarHBondContact O-N 3.33Å; N276-K280 WeakPolarHBondContact O-CB 3.31Å; N276-K280 PolarHBondContact O-N 2.81Å
277R98.2Very high96Very high52 Ų5286 Ų8620%0.19639%0.389CS..Hα-helixtrans-65.5-38.7-179.6-179.763.4-171.669.27.5112.2F245 W273 Q275 E281F245-R277 HydrophobicContact CB-CG 4.49Å; F245-R277 HydrophobicContact CD1-CG 3.82Å; F245-R277 HydrophobicContact CD2-CB 4.14Å; F245-R277 HydrophobicContact CD2-CG 3.5Å; F245-R277 HydrophobicContact CE1-CG 3.89Å; F245-R277 VanDerWaalsContact CE1-CZ 3.42Å; F245-R277 HydrophobicContact CE2-CB 4.08Å; F245-R277 HydrophobicContact CE2-CG 3.57Å; F245-R277 HydrophobicContact CG-CG 3.64Å; F245-R277 HydrophobicContact CZ-CG 3.76Å; W273-R277 HydrophobicContact CD2-CB 4.38Å; W273-R277 HydrophobicContact CE3-CB 3.92Å; W273-R277 HydrophobicContact CE3-CG 4.45Å; W273-R277 HydrophobicContact CH2-CB 3.81Å; W273-R277 HydrophobicContact CH2-CG 3.51Å; W273-R277 HydrophobicContact CZ2-CB 4.28Å; W273-R277 HydrophobicContact CZ2-CG 4.22Å; W273-R277 HydrophobicContact CZ3-CB 3.62Å; W273-R277 HydrophobicContact CZ3-CG 3.66Å; W273-R277 WeakPolarHBondContact O-CB 3.47Å; W273-R277 PolarHBondContact O-N 3.31Å; Q275-R277 PolarHBondContact O-N 3.43Å; R277-E281 IonicContact CZ-OE1 3.33Å; R277-E281 VanDerWaalsContact CZ-OE1 3.22Å; R277-E281 VanDerWaalsContact NH1-CD 3.33Å; R277-E281 IonicContact NH1-OE1 3.86Å; R277-E281 PolarHBondContact NH1-OE1 3.16Å; R277-E281 IonicContact NH1-OE2 2.83Å; R277-E281 IonicContact NH2-OE1 3.22Å; R277-E281 PolarHBondContact NH2-OE1 3Å; R277-E281 PolarHBondContact O-N 3.39Å
278R98Very high95.5Very high76 Ų7690.6 Ų90.629%0.28740%0.402SS..Hα-helixtrans-67.6-39.1171.6-71.4-175.3-68.3138.5-2.9112.7F245 V249 Y250 F274 Q275 E281 K282F245-R278 HydrophobicContact CE2-CG 3.71Å; F245-R278 HydrophobicContact CZ-CG 3.95Å; V249-R278 HydrophobicContact CG1-CG 3.76Å; V249-R278 WeakPolarHBondContact O-CD 3.21Å; Y250-R278 PolarHBondContact OH-NH1 2.73Å; F274-R278 WeakPolarHBondContact O-CG 3.21Å; F274-R278 PolarHBondContact O-N 2.86Å; F274-R278 PolarHBondContact O-NE 2.97Å; Q275-R278 PolarHBondContact O-N 3.21Å; R278-E281 WeakPolarHBondContact O-CB 3.32Å; R278-E281 PolarHBondContact O-N 3.11Å; R278-K282 PolarHBondContact O-N 2.96Å
279M98Very high94.6Very high117 Ų11786.8 Ų86.858%0.57640%0.395SS*.Hα-helixtrans-67.5-38.3176.2-69.7-63.7-74.100112.1Q275 N276 E281 K283Q275-M279 WeakPolarHBondContact O-CG 3.37Å; Q275-M279 PolarHBondContact O-N 3.26Å; Q275-M279 VanDerWaalsContact O-N 3.13Å; N276-M279 PolarHBondContact O-N 3.33Å; M279-E281 VanDerWaalsContact C-N 3.34Å; M279-K283 WeakPolarHBondContact O-CB 3.37Å; M279-K283 PolarHBondContact O-N 2.92Å
280K96.6Very high93.5Very high127 Ų12789 Ų8955%0.55241%0.405SS*.Hα-helixtrans-60.5-42.9171-173.9-175.2176.7-170.20111.2N276 K283 L284N276-K280 WeakPolarHBondContact O-CB 3.31Å; N276-K280 PolarHBondContact O-N 2.81Å; K280-K283 PolarHBondContact O-N 3.25Å; K280-L284 WeakPolarHBondContact O-CB 3.47Å; K280-L284 PolarHBondContact O-N 2.89Å
281E96.2Very high92.3Very high71 Ų7196 Ų9633%0.33243%0.433SS..Hα-helixtrans-64.3-50178.6-162146.9-9300112.9F245 R277 R278 M279 K283 L284 N285F245-E281 WeakPolarHBondContact CE1-OE1 3.34Å; F245-E281 VanDerWaalsContact CE1-OE2 3.28Å; F245-E281 WeakPolarHBondContact CE1-OE2 3.44Å; F245-E281 VanDerWaalsContact CZ-OE2 3.27Å; F245-E281 WeakPolarHBondContact CZ-OE2 3.42Å; R277-E281 IonicContact CZ-OE1 3.33Å; R277-E281 VanDerWaalsContact CZ-OE1 3.22Å; R277-E281 VanDerWaalsContact NH1-CD 3.33Å; R277-E281 IonicContact NH1-OE1 3.86Å; R277-E281 PolarHBondContact NH1-OE1 3.16Å; R277-E281 IonicContact NH1-OE2 2.83Å; R277-E281 IonicContact NH2-OE1 3.22Å; R277-E281 PolarHBondContact NH2-OE1 3Å; R277-E281 PolarHBondContact O-N 3.39Å; R278-E281 WeakPolarHBondContact O-CB 3.32Å; R278-E281 PolarHBondContact O-N 3.11Å; M279-E281 VanDerWaalsContact C-N 3.34Å; E281-K283 VanDerWaalsContact C-N 3.27Å; E281-K283 PolarHBondContact O-N 3.46Å; E281-L284 PolarHBondContact O-N 3.13Å; E281-L284 VanDerWaalsContact O-N 3.14Å; E281-N285 WeakPolarHBondContact O-CB 3.48Å; E281-N285 PolarHBondContact O-N 2.93Å
282K95.9Very high90.7Very high143 Ų14397.5 Ų97.562%0.62244%0.437SS*.Hα-helixtrans-59.5-39.6177.2-17217567.8168.70111.4R278 R286R278-K282 PolarHBondContact O-N 2.96Å; K282-R286 WeakPolarHBondContact O-CB 3.5Å; K282-R286 PolarHBondContact O-N 2.76Å; K282-R286 VanDerWaalsContact O-N 3.08Å
283K94.6Very high89.4Confident124 Ų12499.9 Ų99.954%0.53945%0.454SS..Hα-helixtrans-63.6-50.8172.9179.3172176.5178.50111.3M279 K280 E281 N285 R286 D287M279-K283 WeakPolarHBondContact O-CB 3.37Å; M279-K283 PolarHBondContact O-N 2.92Å; K280-K283 PolarHBondContact O-N 3.25Å; E281-K283 VanDerWaalsContact C-N 3.27Å; E281-K283 PolarHBondContact O-N 3.46Å; K283-N285 VanDerWaalsContact C-N 3.33Å; K283-N285 PolarHBondContact O-N 3.21Å; K283-R286 PolarHBondContact O-N 3.14Å; K283-D287 WeakPolarHBondContact CE-OD2 3.32Å; K283-D287 WeakPolarHBondContact CG-OD2 3.44Å; K283-D287 IonicContact NZ-OD2 3.49Å; K283-D287 WeakPolarHBondContact O-CB 3.43Å; K283-D287 PolarHBondContact O-N 3.37Å
284L92.4Very high87.6Confident109 Ų109102.4 Ų102.457%0.57148%0.475SS*.Hα-helixtrans-64.4-36.9-176.1-166.6150.9000112.3K280 E281 R288K280-L284 WeakPolarHBondContact O-CB 3.47Å; K280-L284 PolarHBondContact O-N 2.89Å; E281-L284 PolarHBondContact O-N 3.13Å; E281-L284 VanDerWaalsContact O-N 3.14Å; L284-R288 WeakPolarHBondContact O-CB 3.48Å; L284-R288 PolarHBondContact O-N 2.94Å
285N89.9Confident85.2Confident109 Ų109106.3 Ų106.358%0.58350%0.497SS*.Hα-helixtrans-66.2-47.9173.4-167.4-15.6000111.4E281 K283 D287 R288 L289E281-N285 WeakPolarHBondContact O-CB 3.48Å; E281-N285 PolarHBondContact O-N 2.93Å; K283-N285 VanDerWaalsContact C-N 3.33Å; K283-N285 PolarHBondContact O-N 3.21Å; N285-D287 PolarHBondContact O-N 3.22Å; N285-R288 PolarHBondContact O-N 2.77Å; N285-L289 PolarHBondContact O-N 3.48Å
286R88.6Confident83.1Confident149 Ų149107.8 Ų107.856%0.56251%0.514SS*.Hα-helixtrans-56.5-49.2173.9-175.6-160.772151.46.4112K282 K283 R288 L289 Q290K282-R286 WeakPolarHBondContact O-CB 3.5Å; K282-R286 PolarHBondContact O-N 2.76Å; K282-R286 VanDerWaalsContact O-N 3.08Å; K283-R286 PolarHBondContact O-N 3.14Å; R286-R288 VanDerWaalsContact C-N 3.32Å; R286-R288 PolarHBondContact O-N 3.39Å; R286-L289 PolarHBondContact O-N 3.5Å; R286-Q290 WeakPolarHBondContact O-CG 3.3Å; R286-Q290 PolarHBondContact O-N 2.93Å
287D86.8Confident80.7Confident55 Ų55110.7 Ų110.729%0.29453%0.528SS..Hα-helixtrans-69.1-33-175.5-63.6-0.2000110.8K283 N285 Y291K283-D287 WeakPolarHBondContact CE-OD2 3.32Å; K283-D287 WeakPolarHBondContact CG-OD2 3.44Å; K283-D287 IonicContact NZ-OD2 3.49Å; K283-D287 WeakPolarHBondContact O-CB 3.43Å; K283-D287 PolarHBondContact O-N 3.37Å; N285-D287 PolarHBondContact O-N 3.22Å; D287-Y291 PolarHBondContact O-N 2.8Å
288R86.7Confident78.1Confident149 Ų149120 Ų12056%0.56258%0.581SS**Hα-helixtrans-65.8-43169.5-178.8178-177.2-146.9-6.8112.4L284 N285 R286 Y291 Y292L284-R288 WeakPolarHBondContact O-CB 3.48Å; L284-R288 PolarHBondContact O-N 2.94Å; N285-R288 PolarHBondContact O-N 2.77Å; R286-R288 VanDerWaalsContact C-N 3.32Å; R286-R288 PolarHBondContact O-N 3.39Å; R288-Y291 PolarHBondContact O-N 3.37Å; R288-Y292 HydrophobicContact CG-CD2 4.2Å; R288-Y292 HydrophobicContact CG-CE2 3.65Å; R288-Y292 PolarHBondContact NE-OH 2.98Å; R288-Y292 PolarHBondContact NH2-OH 2.88Å; R288-Y292 VanDerWaalsContact NH2-OH 3.12Å; R288-Y292 WeakPolarHBondContact O-CD2 3.31Å; R288-Y292 PolarHBondContact O-N 3.32Å
289L78.4Confident77.1Confident103 Ų103122.3 Ų122.354%0.53960%0.595SS.*Hα-helixtrans-63.4-43.3176.5-177.264.1000111N285 R286 Y291 Y292 T293N285-L289 PolarHBondContact O-N 3.48Å; R286-L289 PolarHBondContact O-N 3.5Å; L289-Y291 VanDerWaalsContact C-N 3.33Å; L289-Y291 PolarHBondContact O-N 3.3Å; L289-Y292 PolarHBondContact O-N 3.11Å; L289-T293 PolarHBondContact O-N 3.14Å; L289-T293 PolarHBondContact O-OG1 2.83Å
290Q75.3Confident76Confident112 Ų112122.5 Ų122.552%0.52360%0.596SS.*Hα-helixtrans-58.5-42.7174.7-70.4-68.6-65.500111.9R286 Y292 T293 S294R286-Q290 WeakPolarHBondContact O-CG 3.3Å; R286-Q290 PolarHBondContact O-N 2.93Å; Q290-Y292 VanDerWaalsContact C-N 3.3Å; Q290-Y292 PolarHBondContact O-N 3.41Å; Q290-T293 PolarHBondContact O-N 2.87Å; Q290-S294 VanDerWaalsContact O-CB 3.31Å; Q290-S294 WeakPolarHBondContact O-CB 3.43Å; Q290-S294 PolarHBondContact O-N 3.47Å; Q290-S294 PolarHBondContact O-OG 3.04Å; Q290-S294 VanDerWaalsContact O-OG 3.11Å
291Y73.1Confident74.9Confident148 Ų148122.3 Ų122.358%0.5860%0.599SS**Hα-helixtrans-59-35.5176.2176-94.6000113.7D287 R288 L289 N295D287-Y291 PolarHBondContact O-N 2.8Å; R288-Y291 PolarHBondContact O-N 3.37Å; L289-Y291 VanDerWaalsContact C-N 3.33Å; L289-Y291 PolarHBondContact O-N 3.3Å; Y291-N295 PolarHBondContact O-ND2 2.98Å
292Y65.3Low73.7Confident135 Ų135125.3 Ų125.353%0.52962%0.615SS.*Hα-helixtrans-77.8-37.4174.2-64.5-63000112.3R288 L289 Q290R288-Y292 HydrophobicContact CG-CD2 4.2Å; R288-Y292 HydrophobicContact CG-CE2 3.65Å; R288-Y292 PolarHBondContact NE-OH 2.98Å; R288-Y292 PolarHBondContact NH2-OH 2.88Å; R288-Y292 VanDerWaalsContact NH2-OH 3.12Å; R288-Y292 WeakPolarHBondContact O-CD2 3.31Å; R288-Y292 PolarHBondContact O-N 3.32Å; L289-Y292 PolarHBondContact O-N 3.11Å; Q290-Y292 VanDerWaalsContact C-N 3.3Å; Q290-Y292 PolarHBondContact O-N 3.41Å
293T70.9Confident72.3Confident99 Ų99124.2 Ų124.261%0.60761%0.614SS**Hα-helixtrans-69.6-30.3176.2-63.80000113.2L289 Q290 N295L289-T293 PolarHBondContact O-N 3.14Å; L289-T293 PolarHBondContact O-OG1 2.83Å; Q290-T293 PolarHBondContact O-N 2.87Å; T293-N295 VanDerWaalsContact C-N 3.32Å; T293-N295 PolarHBondContact O-N 2.86Å
294S59Low70.8Confident79 Ų79124.2 Ų124.255%0.55262%0.619SS**THydrogen-bonded Turntrans-88.49.1-17874.30000114.4Q290 P296Q290-S294 VanDerWaalsContact O-CB 3.31Å; Q290-S294 WeakPolarHBondContact O-CB 3.43Å; Q290-S294 PolarHBondContact O-N 3.47Å; Q290-S294 PolarHBondContact O-OG 3.04Å; Q290-S294 VanDerWaalsContact O-OG 3.11Å; S294-P296 VanDerWaalsContact C-CD 3.46Å; S294-P296 WeakPolarHBondContact O-CD 3.38Å
295N48.5Very low69.2Low89 Ų89125.3 Ų125.348%0.47662%0.623SS.*  trans-116.878.4173.3-81.1-68.5000110Y291 T293 L297Y291-N295 PolarHBondContact O-ND2 2.98Å; T293-N295 VanDerWaalsContact C-N 3.32Å; T293-N295 PolarHBondContact O-N 2.86Å; N295-L297 PolarHBondContact O-N 3.13Å
296P55.5Low67.6Low117 Ų117126.5 Ų126.576%0.7663%0.626SS**  trans-79.442.3179.936.6-38.7000112.3S294S294-P296 VanDerWaalsContact C-CD 3.46Å; S294-P296 WeakPolarHBondContact O-CD 3.38Å
297L47.8Very low65.9Low161 Ų161124.7 Ų124.784%0.84363%0.631SS**  trans-139.465.9-177.2-71.4178000111.3N295N295-L297 PolarHBondContact O-N 3.13Å
298L43.5Very low64Low249 Ų249131 Ų131100%1.30466%0.662SS**  trans-141.70152.7-90.1176.3000107.8

Retrieved 298 of 298 residues in 212.8 ms (Link to these results)